smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046989192 751353389 /nfs/dbraw/zinc/35/33/89/751353389.db2.gz TUFYCHANOIAPCZ-CYBMUJFWSA-N 2 1 311.376 0.789 20 30 DCEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046989192 751353395 /nfs/dbraw/zinc/35/33/95/751353395.db2.gz TUFYCHANOIAPCZ-CYBMUJFWSA-N 2 1 311.376 0.789 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643654 751601386 /nfs/dbraw/zinc/60/13/86/751601386.db2.gz FKBZVUDXKHYUDM-HUUCEWRRSA-N 2 1 322.453 0.233 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107012067 751751387 /nfs/dbraw/zinc/75/13/87/751751387.db2.gz JOFJRHCEPISNIH-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107012067 751751390 /nfs/dbraw/zinc/75/13/90/751751390.db2.gz JOFJRHCEPISNIH-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781689 751788326 /nfs/dbraw/zinc/78/83/26/751788326.db2.gz RQZHRQHTWUHRFS-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781689 751788329 /nfs/dbraw/zinc/78/83/29/751788329.db2.gz RQZHRQHTWUHRFS-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781689 751788333 /nfs/dbraw/zinc/78/83/33/751788333.db2.gz RQZHRQHTWUHRFS-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089895104 751934072 /nfs/dbraw/zinc/93/40/72/751934072.db2.gz YYXCWMUWFXSEJC-NXOAAHMSSA-N 2 1 313.445 0.884 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C(C)C)C[C@@H]32)CC1 ZINC001083283692 747856971 /nfs/dbraw/zinc/85/69/71/747856971.db2.gz OFEUJPHMEZSCGS-DLBZAZTESA-N 2 1 319.449 0.652 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+](CC)CC)C2)nn1 ZINC001105347886 748388343 /nfs/dbraw/zinc/38/83/43/748388343.db2.gz PVDYBVCKEZSCTF-UHFFFAOYSA-N 2 1 306.414 0.279 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001105376937 748697955 /nfs/dbraw/zinc/69/79/55/748697955.db2.gz MAPSSWMTBPPUKW-UHFFFAOYSA-N 2 1 320.441 0.667 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001105376937 748697957 /nfs/dbraw/zinc/69/79/57/748697957.db2.gz MAPSSWMTBPPUKW-UHFFFAOYSA-N 2 1 320.441 0.667 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029152 749090322 /nfs/dbraw/zinc/09/03/22/749090322.db2.gz CWNCWWAMMRGHNW-HZPDHXFCSA-N 2 1 307.438 0.749 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1 ZINC001083570978 750311627 /nfs/dbraw/zinc/31/16/27/750311627.db2.gz ZRNYULGYRAQPBK-CABCVRRESA-N 2 1 300.362 0.914 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1 ZINC001083570978 750311630 /nfs/dbraw/zinc/31/16/30/750311630.db2.gz ZRNYULGYRAQPBK-CABCVRRESA-N 2 1 300.362 0.914 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912780 750724052 /nfs/dbraw/zinc/72/40/52/750724052.db2.gz QRLJGIGQHCBCPA-ZBFHGGJFSA-N 2 1 317.437 0.661 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001106223510 751049537 /nfs/dbraw/zinc/04/95/37/751049537.db2.gz HZYOQQJCUZPAHO-HUUCEWRRSA-N 2 1 318.421 0.676 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255577 751068204 /nfs/dbraw/zinc/06/82/04/751068204.db2.gz YMYZYEAOVXQQKU-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCO)[C@H](C)C1 ZINC001106266683 751073630 /nfs/dbraw/zinc/07/36/30/751073630.db2.gz XIYBJTISGJNXJZ-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCO)[C@H](C)C1 ZINC001106266683 751073638 /nfs/dbraw/zinc/07/36/38/751073638.db2.gz XIYBJTISGJNXJZ-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203507781 751181687 /nfs/dbraw/zinc/18/16/87/751181687.db2.gz VGODNWDJLVJHRA-HOTGVXAUSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089350262 751273782 /nfs/dbraw/zinc/27/37/82/751273782.db2.gz GNKPNIKSQSAELN-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089350262 751273786 /nfs/dbraw/zinc/27/37/86/751273786.db2.gz GNKPNIKSQSAELN-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350262 751273792 /nfs/dbraw/zinc/27/37/92/751273792.db2.gz GNKPNIKSQSAELN-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350262 751273794 /nfs/dbraw/zinc/27/37/94/751273794.db2.gz GNKPNIKSQSAELN-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001046850520 751298793 /nfs/dbraw/zinc/29/87/93/751298793.db2.gz VLNMXLUASQARKF-YOEHRIQHSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107953214 752594051 /nfs/dbraw/zinc/59/40/51/752594051.db2.gz UVEPLCIYHSQKNR-JZXOWHBKSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107953214 752594054 /nfs/dbraw/zinc/59/40/54/752594054.db2.gz UVEPLCIYHSQKNR-JZXOWHBKSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107953214 752594056 /nfs/dbraw/zinc/59/40/56/752594056.db2.gz UVEPLCIYHSQKNR-JZXOWHBKSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953214 752594059 /nfs/dbraw/zinc/59/40/59/752594059.db2.gz UVEPLCIYHSQKNR-JZXOWHBKSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953214 752594062 /nfs/dbraw/zinc/59/40/62/752594062.db2.gz UVEPLCIYHSQKNR-JZXOWHBKSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCN1C[C@H](NC(=O)C[N@H+](C)CCC)CC2(CCOCC2)C1 ZINC001099596430 752604910 /nfs/dbraw/zinc/60/49/10/752604910.db2.gz CEILDGSKOYJXAH-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC2(CCOCC2)C1 ZINC001099596430 752604916 /nfs/dbraw/zinc/60/49/16/752604916.db2.gz CEILDGSKOYJXAH-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC2(CCOCC2)C1 ZINC001099596430 752604929 /nfs/dbraw/zinc/60/49/29/752604929.db2.gz CEILDGSKOYJXAH-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC2(CCOCC2)C1 ZINC001099596430 752604936 /nfs/dbraw/zinc/60/49/36/752604936.db2.gz CEILDGSKOYJXAH-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077838869 752794019 /nfs/dbraw/zinc/79/40/19/752794019.db2.gz RGKXICXXZLPNBG-IAGOWNOFSA-N 2 1 315.417 0.546 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107998517 752862655 /nfs/dbraw/zinc/86/26/55/752862655.db2.gz LYHPJWXFDSDLJI-RDJZCZTQSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107998517 752862664 /nfs/dbraw/zinc/86/26/64/752862664.db2.gz LYHPJWXFDSDLJI-RDJZCZTQSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444411 753196784 /nfs/dbraw/zinc/19/67/84/753196784.db2.gz MUXPEXFWYNGVMV-HZPDHXFCSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CN(C)CCO1)C2 ZINC001045925806 753372439 /nfs/dbraw/zinc/37/24/39/753372439.db2.gz UWROTZNWDQNHCF-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064486 753458191 /nfs/dbraw/zinc/45/81/91/753458191.db2.gz OHQUCMKJEBXJAM-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064486 753458195 /nfs/dbraw/zinc/45/81/95/753458195.db2.gz OHQUCMKJEBXJAM-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064486 753458201 /nfs/dbraw/zinc/45/82/01/753458201.db2.gz OHQUCMKJEBXJAM-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082549 753472310 /nfs/dbraw/zinc/47/23/10/753472310.db2.gz UFBZNGVHUTYSLW-QGZVFWFLSA-N 2 1 320.481 0.877 20 30 DCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326560 753646335 /nfs/dbraw/zinc/64/63/35/753646335.db2.gz QZFYFWRHMNEBPN-KRWDZBQOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046695596 753880225 /nfs/dbraw/zinc/88/02/25/753880225.db2.gz PRXODSULRYBZKM-INIZCTEOSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046695596 753880234 /nfs/dbraw/zinc/88/02/34/753880234.db2.gz PRXODSULRYBZKM-INIZCTEOSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181254 754941350 /nfs/dbraw/zinc/94/13/50/754941350.db2.gz ULLJRZCTFLSNCC-KRWDZBQOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181254 754941354 /nfs/dbraw/zinc/94/13/54/754941354.db2.gz ULLJRZCTFLSNCC-KRWDZBQOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818228 754958832 /nfs/dbraw/zinc/95/88/32/754958832.db2.gz GKTQDWMEMHPGHQ-MWDXBVQZSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818228 754958837 /nfs/dbraw/zinc/95/88/37/754958837.db2.gz GKTQDWMEMHPGHQ-MWDXBVQZSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818228 754958841 /nfs/dbraw/zinc/95/88/41/754958841.db2.gz GKTQDWMEMHPGHQ-MWDXBVQZSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833952 754967967 /nfs/dbraw/zinc/96/79/67/754967967.db2.gz WBIRQEZWVQUZPH-YYIAUSFCSA-N 2 1 317.433 0.263 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833952 754967970 /nfs/dbraw/zinc/96/79/70/754967970.db2.gz WBIRQEZWVQUZPH-YYIAUSFCSA-N 2 1 317.433 0.263 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833952 754967973 /nfs/dbraw/zinc/96/79/73/754967973.db2.gz WBIRQEZWVQUZPH-YYIAUSFCSA-N 2 1 317.433 0.263 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834131 754968059 /nfs/dbraw/zinc/96/80/59/754968059.db2.gz ZVCOMEPLZCFEFL-QKPAOTATSA-N 2 1 305.422 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834131 754968061 /nfs/dbraw/zinc/96/80/61/754968061.db2.gz ZVCOMEPLZCFEFL-QKPAOTATSA-N 2 1 305.422 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834131 754968066 /nfs/dbraw/zinc/96/80/66/754968066.db2.gz ZVCOMEPLZCFEFL-QKPAOTATSA-N 2 1 305.422 0.426 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCO)C2)CC1 ZINC001072095016 762352157 /nfs/dbraw/zinc/35/21/57/762352157.db2.gz DZJDDCHFCOTPED-GOEBONIOSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216157 755187405 /nfs/dbraw/zinc/18/74/05/755187405.db2.gz VUHBRDIZNCEPPI-YESZJQIVSA-N 2 1 319.449 0.368 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222714 755190855 /nfs/dbraw/zinc/19/08/55/755190855.db2.gz RXPUPZTZNGOULJ-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222714 755190856 /nfs/dbraw/zinc/19/08/56/755190856.db2.gz RXPUPZTZNGOULJ-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222714 755190858 /nfs/dbraw/zinc/19/08/58/755190858.db2.gz RXPUPZTZNGOULJ-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222714 755190859 /nfs/dbraw/zinc/19/08/59/755190859.db2.gz RXPUPZTZNGOULJ-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391475 755247980 /nfs/dbraw/zinc/24/79/80/755247980.db2.gz LSTWLAKMLLXAMA-OAGGEKHMSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCO)CC2)CC1 ZINC001052953706 755884252 /nfs/dbraw/zinc/88/42/52/755884252.db2.gz GNDGHZIUCRMLLL-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080325061 756165436 /nfs/dbraw/zinc/16/54/36/756165436.db2.gz OVTJMAAJTPUMRP-BZUAXINKSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080325061 756165440 /nfs/dbraw/zinc/16/54/40/756165440.db2.gz OVTJMAAJTPUMRP-BZUAXINKSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325061 756165443 /nfs/dbraw/zinc/16/54/43/756165443.db2.gz OVTJMAAJTPUMRP-BZUAXINKSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325061 756165449 /nfs/dbraw/zinc/16/54/49/756165449.db2.gz OVTJMAAJTPUMRP-BZUAXINKSA-N 2 1 307.438 0.555 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001053982680 756314295 /nfs/dbraw/zinc/31/42/95/756314295.db2.gz NYIUPZFOYZGIBO-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001053982680 756314300 /nfs/dbraw/zinc/31/43/00/756314300.db2.gz NYIUPZFOYZGIBO-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001080998364 756417813 /nfs/dbraw/zinc/41/78/13/756417813.db2.gz ZDHPCMOBZZCPPX-NVXWUHKLSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048258 757306283 /nfs/dbraw/zinc/30/62/83/757306283.db2.gz NCDMVNLPEPJCFE-YESZJQIVSA-N 2 1 301.434 0.884 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083861 757483420 /nfs/dbraw/zinc/48/34/20/757483420.db2.gz PESLXPTVPROLTJ-YESZJQIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC001050208140 757488946 /nfs/dbraw/zinc/48/89/46/757488946.db2.gz CHWJHNBDTDRQGP-DLBZAZTESA-N 2 1 319.449 0.247 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083183170 757561086 /nfs/dbraw/zinc/56/10/86/757561086.db2.gz RARNFHNWHJYYKA-JKSUJKDBSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087671 757665058 /nfs/dbraw/zinc/66/50/58/757665058.db2.gz ZNHGIQUZPQVXPJ-CVEARBPZSA-N 2 1 303.406 0.709 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087671 757665065 /nfs/dbraw/zinc/66/50/65/757665065.db2.gz ZNHGIQUZPQVXPJ-CVEARBPZSA-N 2 1 303.406 0.709 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050760950 758036777 /nfs/dbraw/zinc/03/67/77/758036777.db2.gz AZLYSUDYGBGYFB-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050760950 758036787 /nfs/dbraw/zinc/03/67/87/758036787.db2.gz AZLYSUDYGBGYFB-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036181 759131772 /nfs/dbraw/zinc/13/17/72/759131772.db2.gz HDLVFJONAHKWJO-SJORKVTESA-N 2 1 320.481 0.731 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086373070 760110129 /nfs/dbraw/zinc/11/01/29/760110129.db2.gz KCDLGSACGPBMPV-KLHDSHLOSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100109675 760298561 /nfs/dbraw/zinc/29/85/61/760298561.db2.gz IQIGYNXSLDXLMY-LSDHHAIUSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100109675 760298567 /nfs/dbraw/zinc/29/85/67/760298567.db2.gz IQIGYNXSLDXLMY-LSDHHAIUSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148542522 768010441 /nfs/dbraw/zinc/01/04/41/768010441.db2.gz FWAAORNUUIEPDL-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148542522 768010448 /nfs/dbraw/zinc/01/04/48/768010448.db2.gz FWAAORNUUIEPDL-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148542522 768010455 /nfs/dbraw/zinc/01/04/55/768010455.db2.gz FWAAORNUUIEPDL-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148542522 768010461 /nfs/dbraw/zinc/01/04/61/768010461.db2.gz FWAAORNUUIEPDL-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070400525 761213010 /nfs/dbraw/zinc/21/30/10/761213010.db2.gz ZZECDKVDFHPQQN-HIFRSBDPSA-N 2 1 315.421 0.543 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400525 761213014 /nfs/dbraw/zinc/21/30/14/761213014.db2.gz ZZECDKVDFHPQQN-HIFRSBDPSA-N 2 1 315.421 0.543 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400525 761213019 /nfs/dbraw/zinc/21/30/19/761213019.db2.gz ZZECDKVDFHPQQN-HIFRSBDPSA-N 2 1 315.421 0.543 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748581 768035586 /nfs/dbraw/zinc/03/55/86/768035586.db2.gz VBPGQZXQRQPAKU-OAHLLOKOSA-N 2 1 305.422 0.122 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748581 768035591 /nfs/dbraw/zinc/03/55/91/768035591.db2.gz VBPGQZXQRQPAKU-OAHLLOKOSA-N 2 1 305.422 0.122 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748581 768035595 /nfs/dbraw/zinc/03/55/95/768035595.db2.gz VBPGQZXQRQPAKU-OAHLLOKOSA-N 2 1 305.422 0.122 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148754854 768036210 /nfs/dbraw/zinc/03/62/10/768036210.db2.gz KFNHWOFESXRKKR-UHFFFAOYSA-N 2 1 318.421 0.928 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148754854 768036213 /nfs/dbraw/zinc/03/62/13/768036213.db2.gz KFNHWOFESXRKKR-UHFFFAOYSA-N 2 1 318.421 0.928 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](C)O2 ZINC001098662960 762706379 /nfs/dbraw/zinc/70/63/79/762706379.db2.gz RETOSUDHKGICQY-JKSUJKDBSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC(F)F ZINC001129770556 763007311 /nfs/dbraw/zinc/00/73/11/763007311.db2.gz IQBXILCPKRQFGQ-LBPRGKRZSA-N 2 1 303.353 0.072 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC(F)F ZINC001129770556 763007315 /nfs/dbraw/zinc/00/73/15/763007315.db2.gz IQBXILCPKRQFGQ-LBPRGKRZSA-N 2 1 303.353 0.072 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)noc1C ZINC001129770431 763007347 /nfs/dbraw/zinc/00/73/47/763007347.db2.gz GHKTXWVSCXXHNQ-HNNXBMFYSA-N 2 1 304.394 0.595 20 30 DCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100073961 763282043 /nfs/dbraw/zinc/28/20/43/763282043.db2.gz IBZXWBIHJKELQM-LSDHHAIUSA-N 2 1 307.438 0.600 20 30 DCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100073959 763282915 /nfs/dbraw/zinc/28/29/15/763282915.db2.gz IBZXWBIHJKELQM-GJZGRUSLSA-N 2 1 307.438 0.600 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074272 763283981 /nfs/dbraw/zinc/28/39/81/763283981.db2.gz KUCMSFXJBIXGFW-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100415277 763564149 /nfs/dbraw/zinc/56/41/49/763564149.db2.gz IPTPDSUNTQHESZ-JCYILVPMSA-N 2 1 317.433 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100415277 763564154 /nfs/dbraw/zinc/56/41/54/763564154.db2.gz IPTPDSUNTQHESZ-JCYILVPMSA-N 2 1 317.433 0.218 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100447202 763584111 /nfs/dbraw/zinc/58/41/11/763584111.db2.gz SEIRLQDGKKOHEO-UYSNPLJNSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001100678181 763719100 /nfs/dbraw/zinc/71/91/00/763719100.db2.gz BXAFBMMHTVTUFJ-NFOMZHRRSA-N 2 1 322.453 0.115 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460759 764103122 /nfs/dbraw/zinc/10/31/22/764103122.db2.gz WCEUWKRGAHVFGY-JZXOWHBKSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460759 764103125 /nfs/dbraw/zinc/10/31/25/764103125.db2.gz WCEUWKRGAHVFGY-JZXOWHBKSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460759 764103127 /nfs/dbraw/zinc/10/31/27/764103127.db2.gz WCEUWKRGAHVFGY-JZXOWHBKSA-N 2 1 319.449 0.368 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724273 768377283 /nfs/dbraw/zinc/37/72/83/768377283.db2.gz JFSTXTWTJKJUFW-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724273 768377290 /nfs/dbraw/zinc/37/72/90/768377290.db2.gz JFSTXTWTJKJUFW-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724273 768377297 /nfs/dbraw/zinc/37/72/97/768377297.db2.gz JFSTXTWTJKJUFW-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724273 768377303 /nfs/dbraw/zinc/37/73/03/768377303.db2.gz JFSTXTWTJKJUFW-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001098478759 764333609 /nfs/dbraw/zinc/33/36/09/764333609.db2.gz CJAIKGOHQRQGPT-HNNXBMFYSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098478759 764333614 /nfs/dbraw/zinc/33/36/14/764333614.db2.gz CJAIKGOHQRQGPT-HNNXBMFYSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098478759 764333622 /nfs/dbraw/zinc/33/36/22/764333622.db2.gz CJAIKGOHQRQGPT-HNNXBMFYSA-N 2 1 309.454 0.942 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132377188 764428224 /nfs/dbraw/zinc/42/82/24/764428224.db2.gz URMIXQBHTUWKRD-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132377188 764428233 /nfs/dbraw/zinc/42/82/33/764428233.db2.gz URMIXQBHTUWKRD-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070602 764515260 /nfs/dbraw/zinc/51/52/60/764515260.db2.gz PDEBNBCCIGZELE-ZACQAIPSSA-N 2 1 323.481 0.907 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091024 764522947 /nfs/dbraw/zinc/52/29/47/764522947.db2.gz OETZHRGHIKNOHO-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091024 764522951 /nfs/dbraw/zinc/52/29/51/764522951.db2.gz OETZHRGHIKNOHO-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091024 764522957 /nfs/dbraw/zinc/52/29/57/764522957.db2.gz OETZHRGHIKNOHO-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098479287 764524026 /nfs/dbraw/zinc/52/40/26/764524026.db2.gz ZPCBKEZHKYWBQW-HOCLYGCPSA-N 2 1 309.454 0.655 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479287 764524031 /nfs/dbraw/zinc/52/40/31/764524031.db2.gz ZPCBKEZHKYWBQW-HOCLYGCPSA-N 2 1 309.454 0.655 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479287 764524037 /nfs/dbraw/zinc/52/40/37/764524037.db2.gz ZPCBKEZHKYWBQW-HOCLYGCPSA-N 2 1 309.454 0.655 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009679 765448988 /nfs/dbraw/zinc/44/89/88/765448988.db2.gz OULRTKVCIUKVCQ-WMZOPIPTSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009679 765448993 /nfs/dbraw/zinc/44/89/93/765448993.db2.gz OULRTKVCIUKVCQ-WMZOPIPTSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009679 765448998 /nfs/dbraw/zinc/44/89/98/765448998.db2.gz OULRTKVCIUKVCQ-WMZOPIPTSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001115118970 765595954 /nfs/dbraw/zinc/59/59/54/765595954.db2.gz OUQQKQABOYTLIU-AIANPOQGSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115118970 765595957 /nfs/dbraw/zinc/59/59/57/765595957.db2.gz OUQQKQABOYTLIU-AIANPOQGSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115118970 765595962 /nfs/dbraw/zinc/59/59/62/765595962.db2.gz OUQQKQABOYTLIU-AIANPOQGSA-N 2 1 307.438 0.577 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)O)CCCCC1 ZINC001115577986 765761678 /nfs/dbraw/zinc/76/16/78/765761678.db2.gz TXGDUTIFHJWDJV-CVEARBPZSA-N 2 1 321.465 0.874 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)O)CCCCC1 ZINC001115577986 765761683 /nfs/dbraw/zinc/76/16/83/765761683.db2.gz TXGDUTIFHJWDJV-CVEARBPZSA-N 2 1 321.465 0.874 20 30 DCEDMP C=CCOCC[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135322670 765881237 /nfs/dbraw/zinc/88/12/37/765881237.db2.gz BKEHOPSMWSGBAT-UHFFFAOYSA-N 2 1 313.442 0.397 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882172 766149793 /nfs/dbraw/zinc/14/97/93/766149793.db2.gz IOZIOUYAPYABQJ-KBPBESRZSA-N 2 1 312.458 0.503 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892484 766153181 /nfs/dbraw/zinc/15/31/81/766153181.db2.gz MALRUXUNAACDHN-UHFFFAOYSA-N 2 1 313.361 0.237 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135992783 766199902 /nfs/dbraw/zinc/19/99/02/766199902.db2.gz VELKQRXDQNBZMU-LSDHHAIUSA-N 2 1 324.469 0.341 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572643 766327326 /nfs/dbraw/zinc/32/73/26/766327326.db2.gz HIZXXIRDAUKOHS-HUUCEWRRSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572643 766327330 /nfs/dbraw/zinc/32/73/30/766327330.db2.gz HIZXXIRDAUKOHS-HUUCEWRRSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572643 766327337 /nfs/dbraw/zinc/32/73/37/766327337.db2.gz HIZXXIRDAUKOHS-HUUCEWRRSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574253 766328831 /nfs/dbraw/zinc/32/88/31/766328831.db2.gz RDSWOKVJZDJHTC-LSDHHAIUSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574253 766328838 /nfs/dbraw/zinc/32/88/38/766328838.db2.gz RDSWOKVJZDJHTC-LSDHHAIUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC)C[C@@H]2O)CC1 ZINC001090830877 766649381 /nfs/dbraw/zinc/64/93/81/766649381.db2.gz QDYQWSVSYNJVDP-HOTGVXAUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001119391999 766658472 /nfs/dbraw/zinc/65/84/72/766658472.db2.gz SKKLSZQFDNUPHX-CVEARBPZSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001119391999 766658480 /nfs/dbraw/zinc/65/84/80/766658480.db2.gz SKKLSZQFDNUPHX-CVEARBPZSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001119391999 766658486 /nfs/dbraw/zinc/65/84/86/766658486.db2.gz SKKLSZQFDNUPHX-CVEARBPZSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001119391999 766658491 /nfs/dbraw/zinc/65/84/91/766658491.db2.gz SKKLSZQFDNUPHX-CVEARBPZSA-N 2 1 304.438 0.964 20 30 DCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880057 767481730 /nfs/dbraw/zinc/48/17/30/767481730.db2.gz URGORNUFDKUORS-HOTGVXAUSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880057 767481735 /nfs/dbraw/zinc/48/17/35/767481735.db2.gz URGORNUFDKUORS-HOTGVXAUSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880057 767481741 /nfs/dbraw/zinc/48/17/41/767481741.db2.gz URGORNUFDKUORS-HOTGVXAUSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147724279 767832095 /nfs/dbraw/zinc/83/20/95/767832095.db2.gz KBYOGXNTRGPVMU-UHFFFAOYSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001147724279 767832103 /nfs/dbraw/zinc/83/21/03/767832103.db2.gz KBYOGXNTRGPVMU-UHFFFAOYSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001147724279 767832111 /nfs/dbraw/zinc/83/21/11/767832111.db2.gz KBYOGXNTRGPVMU-UHFFFAOYSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCn1cc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cn1 ZINC001139772612 768490841 /nfs/dbraw/zinc/49/08/41/768490841.db2.gz MMOFZABVKXOXBY-UHFFFAOYSA-N 2 1 305.426 0.665 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2C)CC1 ZINC001093223947 768502010 /nfs/dbraw/zinc/50/20/10/768502010.db2.gz JWNLVFSBBSESLO-GDBMZVCRSA-N 2 1 307.438 0.008 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150596038 769134570 /nfs/dbraw/zinc/13/45/70/769134570.db2.gz HBTFNDMABVGLPC-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150596038 769134571 /nfs/dbraw/zinc/13/45/71/769134571.db2.gz HBTFNDMABVGLPC-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150596038 769134574 /nfs/dbraw/zinc/13/45/74/769134574.db2.gz HBTFNDMABVGLPC-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001151049713 769245062 /nfs/dbraw/zinc/24/50/62/769245062.db2.gz WXUHLYDRZBTOMY-CQSZACIVSA-N 2 1 304.369 0.855 20 30 DCEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072386 770012262 /nfs/dbraw/zinc/01/22/62/770012262.db2.gz RTDXAUBDUBTNIT-NSHDSACASA-N 2 1 304.232 0.943 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226696 770439242 /nfs/dbraw/zinc/43/92/42/770439242.db2.gz NMKGWIAQUYQLEM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226696 770439244 /nfs/dbraw/zinc/43/92/44/770439244.db2.gz NMKGWIAQUYQLEM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226696 770439245 /nfs/dbraw/zinc/43/92/45/770439245.db2.gz NMKGWIAQUYQLEM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001156144515 770731141 /nfs/dbraw/zinc/73/11/41/770731141.db2.gz DQKZOEMSRHAIRE-MRXNPFEDSA-N 2 1 316.405 0.485 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001156144515 770731149 /nfs/dbraw/zinc/73/11/49/770731149.db2.gz DQKZOEMSRHAIRE-MRXNPFEDSA-N 2 1 316.405 0.485 20 30 DCEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178811646 770869689 /nfs/dbraw/zinc/86/96/89/770869689.db2.gz WMKCJTHJPOUSAO-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178811646 770869706 /nfs/dbraw/zinc/86/97/06/770869706.db2.gz WMKCJTHJPOUSAO-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902326 770899229 /nfs/dbraw/zinc/89/92/29/770899229.db2.gz LLLNROLDKQKBCC-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001183249647 771628716 /nfs/dbraw/zinc/62/87/16/771628716.db2.gz QHAWFWIKCFDRMM-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)N(c1ncnc2c1CC[NH2+]CC2)C(C)C ZINC001158759016 771817945 /nfs/dbraw/zinc/81/79/45/771817945.db2.gz HWVPAPVRWRRBRG-INIZCTEOSA-N 2 1 301.394 0.257 20 30 DCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868544 771971073 /nfs/dbraw/zinc/97/10/73/771971073.db2.gz GERDUCZCYBJHER-MRXNPFEDSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnns1 ZINC001160209564 772009282 /nfs/dbraw/zinc/00/92/82/772009282.db2.gz QRDZQMORJRDUTG-ZDUSSCGKSA-N 2 1 307.423 0.232 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnns1 ZINC001160209564 772009290 /nfs/dbraw/zinc/00/92/90/772009290.db2.gz QRDZQMORJRDUTG-ZDUSSCGKSA-N 2 1 307.423 0.232 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](CCCC)C(N)=O ZINC001160209635 772009363 /nfs/dbraw/zinc/00/93/63/772009363.db2.gz SZCOMYVTOIFWCI-CABCVRRESA-N 2 1 322.453 0.224 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](CCCC)C(N)=O ZINC001160209635 772009369 /nfs/dbraw/zinc/00/93/69/772009369.db2.gz SZCOMYVTOIFWCI-CABCVRRESA-N 2 1 322.453 0.224 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ocnc1C ZINC001160209860 772010450 /nfs/dbraw/zinc/01/04/50/772010450.db2.gz ZJKHQWMJBKEUON-AWEZNQCLSA-N 2 1 304.394 0.677 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ocnc1C ZINC001160209860 772010453 /nfs/dbraw/zinc/01/04/53/772010453.db2.gz ZJKHQWMJBKEUON-AWEZNQCLSA-N 2 1 304.394 0.677 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](C[C@@H](C)O)CC1 ZINC001160386206 772031204 /nfs/dbraw/zinc/03/12/04/772031204.db2.gz MKLWMOGZELBYQR-WBVHZDCISA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](C[C@@H](C)O)CC1 ZINC001160386206 772031211 /nfs/dbraw/zinc/03/12/11/772031211.db2.gz MKLWMOGZELBYQR-WBVHZDCISA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@@H](C)O)CC1 ZINC001160386206 772031217 /nfs/dbraw/zinc/03/12/17/772031217.db2.gz MKLWMOGZELBYQR-WBVHZDCISA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@@H](C)O)CC1 ZINC001160386206 772031221 /nfs/dbraw/zinc/03/12/21/772031221.db2.gz MKLWMOGZELBYQR-WBVHZDCISA-N 2 1 319.449 0.603 20 30 DCEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160479119 772046191 /nfs/dbraw/zinc/04/61/91/772046191.db2.gz PBFOQQSMJAUGIY-NVXWUHKLSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160479119 772046197 /nfs/dbraw/zinc/04/61/97/772046197.db2.gz PBFOQQSMJAUGIY-NVXWUHKLSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160479119 772046199 /nfs/dbraw/zinc/04/61/99/772046199.db2.gz PBFOQQSMJAUGIY-NVXWUHKLSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160479119 772046204 /nfs/dbraw/zinc/04/62/04/772046204.db2.gz PBFOQQSMJAUGIY-NVXWUHKLSA-N 2 1 319.449 0.867 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160870520 772129546 /nfs/dbraw/zinc/12/95/46/772129546.db2.gz YQMREYXPVGYBGS-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190195274 772604564 /nfs/dbraw/zinc/60/45/64/772604564.db2.gz DBEUIXRTWXHNPB-SJORKVTESA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190195271 772604760 /nfs/dbraw/zinc/60/47/60/772604760.db2.gz DBEUIXRTWXHNPB-DLBZAZTESA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644985 772656917 /nfs/dbraw/zinc/65/69/17/772656917.db2.gz PEXVSWLSBNSAHD-JKSUJKDBSA-N 2 1 317.437 0.369 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644985 772656920 /nfs/dbraw/zinc/65/69/20/772656920.db2.gz PEXVSWLSBNSAHD-JKSUJKDBSA-N 2 1 317.437 0.369 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166743991 772855172 /nfs/dbraw/zinc/85/51/72/772855172.db2.gz BYGLFJWNCYOYGR-CQSZACIVSA-N 2 1 324.469 0.505 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342909 772907494 /nfs/dbraw/zinc/90/74/94/772907494.db2.gz LPKWGBABHPGPMF-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001192342909 772907497 /nfs/dbraw/zinc/90/74/97/772907497.db2.gz LPKWGBABHPGPMF-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192342909 772907500 /nfs/dbraw/zinc/90/75/00/772907500.db2.gz LPKWGBABHPGPMF-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558427 773084905 /nfs/dbraw/zinc/08/49/05/773084905.db2.gz BXMAEEOZRAVZEW-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558427 773084909 /nfs/dbraw/zinc/08/49/09/773084909.db2.gz BXMAEEOZRAVZEW-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193902428 773127065 /nfs/dbraw/zinc/12/70/65/773127065.db2.gz RPKKJIIVYMUBGM-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193902428 773127067 /nfs/dbraw/zinc/12/70/67/773127067.db2.gz RPKKJIIVYMUBGM-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193902428 773127069 /nfs/dbraw/zinc/12/70/69/773127069.db2.gz RPKKJIIVYMUBGM-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194298935 773171877 /nfs/dbraw/zinc/17/18/77/773171877.db2.gz NSAQILSLPCTOJJ-HZPDHXFCSA-N 2 1 318.421 0.645 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550793 773235280 /nfs/dbraw/zinc/23/52/80/773235280.db2.gz JNADRDRVSYVXOM-FVQBIDKESA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207757807 773294148 /nfs/dbraw/zinc/29/41/48/773294148.db2.gz NDRHWMWJLVRLCW-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207757807 773294153 /nfs/dbraw/zinc/29/41/53/773294153.db2.gz NDRHWMWJLVRLCW-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757807 773294159 /nfs/dbraw/zinc/29/41/59/773294159.db2.gz NDRHWMWJLVRLCW-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757807 773294164 /nfs/dbraw/zinc/29/41/64/773294164.db2.gz NDRHWMWJLVRLCW-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070684 773394912 /nfs/dbraw/zinc/39/49/12/773394912.db2.gz QBMFWNDNRITHQK-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208640018 773509812 /nfs/dbraw/zinc/50/98/12/773509812.db2.gz XLLVPNMBZWLEJF-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209241994 773573557 /nfs/dbraw/zinc/57/35/57/773573557.db2.gz HUCNIVBNYNPPMH-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209241994 773573560 /nfs/dbraw/zinc/57/35/60/773573560.db2.gz HUCNIVBNYNPPMH-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001197048661 773682247 /nfs/dbraw/zinc/68/22/47/773682247.db2.gz HOTJZLKSZUFRIP-MRXNPFEDSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001197048661 773682250 /nfs/dbraw/zinc/68/22/50/773682250.db2.gz HOTJZLKSZUFRIP-MRXNPFEDSA-N 2 1 309.454 0.757 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210812398 773741831 /nfs/dbraw/zinc/74/18/31/773741831.db2.gz ZHIGZKDFGIIPER-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001210865624 773746319 /nfs/dbraw/zinc/74/63/19/773746319.db2.gz YCOMJSURICMQSW-AEFFLSMTSA-N 2 1 319.449 0.703 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211089773 773768153 /nfs/dbraw/zinc/76/81/53/773768153.db2.gz AHUQIOYMXCCXOP-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832024 773803220 /nfs/dbraw/zinc/80/32/20/773803220.db2.gz HDNLAHNNCPLCCR-UHFFFAOYSA-N 2 1 313.442 0.302 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128050 774032704 /nfs/dbraw/zinc/03/27/04/774032704.db2.gz MWVCSTFYBWLCNM-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215539999 774081715 /nfs/dbraw/zinc/08/17/15/774081715.db2.gz GERCFTFSUKVHOW-ARFHVFGLSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550862 774244292 /nfs/dbraw/zinc/24/42/92/774244292.db2.gz QLFIBLPGOUPFRS-LSDHHAIUSA-N 2 1 305.422 0.263 20 30 DCEDMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218554608 774245885 /nfs/dbraw/zinc/24/58/85/774245885.db2.gz UZSNYSIYWDKTPE-JTQLQIEISA-N 2 1 308.363 0.094 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182844 774291959 /nfs/dbraw/zinc/29/19/59/774291959.db2.gz UUEQERFVLTUAPN-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182844 774291965 /nfs/dbraw/zinc/29/19/65/774291965.db2.gz UUEQERFVLTUAPN-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001219032014 774351553 /nfs/dbraw/zinc/35/15/53/774351553.db2.gz MRJZWJPIWSRLDH-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032014 774351559 /nfs/dbraw/zinc/35/15/59/774351559.db2.gz MRJZWJPIWSRLDH-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032014 774351565 /nfs/dbraw/zinc/35/15/65/774351565.db2.gz MRJZWJPIWSRLDH-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658322 774392515 /nfs/dbraw/zinc/39/25/15/774392515.db2.gz KQKXXXAADIKWFR-JKSUJKDBSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=C)C)C1 ZINC001200721165 774397611 /nfs/dbraw/zinc/39/76/11/774397611.db2.gz IKBINLYFUFEABZ-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=C)C)C1 ZINC001200721165 774397618 /nfs/dbraw/zinc/39/76/18/774397618.db2.gz IKBINLYFUFEABZ-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCCO1 ZINC001201405071 774502214 /nfs/dbraw/zinc/50/22/14/774502214.db2.gz ZUYVKXQKCXOLOJ-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCCO1 ZINC001201419926 774507217 /nfs/dbraw/zinc/50/72/17/774507217.db2.gz HZDIDRMARRAROB-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575549 774610385 /nfs/dbraw/zinc/61/03/85/774610385.db2.gz RFCFWMLMYPHEFY-HHARLNAUSA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575549 774610390 /nfs/dbraw/zinc/61/03/90/774610390.db2.gz RFCFWMLMYPHEFY-HHARLNAUSA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110575549 774610398 /nfs/dbraw/zinc/61/03/98/774610398.db2.gz RFCFWMLMYPHEFY-HHARLNAUSA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110575549 774610402 /nfs/dbraw/zinc/61/04/02/774610402.db2.gz RFCFWMLMYPHEFY-HHARLNAUSA-N 2 1 319.449 0.698 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011071 774668867 /nfs/dbraw/zinc/66/88/67/774668867.db2.gz KXQOIAZPKILNRP-CFVMTHIKSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011071 774668868 /nfs/dbraw/zinc/66/88/68/774668868.db2.gz KXQOIAZPKILNRP-CFVMTHIKSA-N 2 1 306.410 0.708 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078376 774689533 /nfs/dbraw/zinc/68/95/33/774689533.db2.gz NOCNLYGIXYHAJL-CABCVRRESA-N 2 1 307.438 0.436 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776961 775193237 /nfs/dbraw/zinc/19/32/37/775193237.db2.gz MAAGZUDUQBMUTJ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776961 775193242 /nfs/dbraw/zinc/19/32/42/775193242.db2.gz MAAGZUDUQBMUTJ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945379 775233385 /nfs/dbraw/zinc/23/33/85/775233385.db2.gz LVWAPXDGDCISNF-BRWVUGGUSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945379 775233390 /nfs/dbraw/zinc/23/33/90/775233390.db2.gz LVWAPXDGDCISNF-BRWVUGGUSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945379 775233395 /nfs/dbraw/zinc/23/33/95/775233395.db2.gz LVWAPXDGDCISNF-BRWVUGGUSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945379 775233402 /nfs/dbraw/zinc/23/34/02/775233402.db2.gz LVWAPXDGDCISNF-BRWVUGGUSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013765 775247060 /nfs/dbraw/zinc/24/70/60/775247060.db2.gz KXHBSHDAWRNUFI-BZUAXINKSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013765 775247068 /nfs/dbraw/zinc/24/70/68/775247068.db2.gz KXHBSHDAWRNUFI-BZUAXINKSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013765 775247078 /nfs/dbraw/zinc/24/70/78/775247078.db2.gz KXHBSHDAWRNUFI-BZUAXINKSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013765 775247088 /nfs/dbraw/zinc/24/70/88/775247088.db2.gz KXHBSHDAWRNUFI-BZUAXINKSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226332841 775801273 /nfs/dbraw/zinc/80/12/73/775801273.db2.gz BGUMROIGUAVMII-QBPKDAKJSA-N 2 1 321.465 0.993 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227798131 776009773 /nfs/dbraw/zinc/00/97/73/776009773.db2.gz SKUDQEMFGVETDA-INIZCTEOSA-N 2 1 317.437 0.417 20 30 DCEDMP C=CCOCC[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001228274074 776063017 /nfs/dbraw/zinc/06/30/17/776063017.db2.gz PAVJYQBYLWOOSZ-UHFFFAOYSA-N 2 1 306.410 0.975 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001228852174 776130001 /nfs/dbraw/zinc/13/00/01/776130001.db2.gz BNXOFMGUOHQLAY-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141942 776162910 /nfs/dbraw/zinc/16/29/10/776162910.db2.gz NKSJACZGFGURSF-HZPDHXFCSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001114840464 776222611 /nfs/dbraw/zinc/22/26/11/776222611.db2.gz LGSMZRPEOCJLJU-QLPKVWCKSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114840464 776222614 /nfs/dbraw/zinc/22/26/14/776222614.db2.gz LGSMZRPEOCJLJU-QLPKVWCKSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114840464 776222623 /nfs/dbraw/zinc/22/26/23/776222623.db2.gz LGSMZRPEOCJLJU-QLPKVWCKSA-N 2 1 321.465 0.967 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041401588 777256301 /nfs/dbraw/zinc/25/63/01/777256301.db2.gz CCNWSHUAJYLRGV-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041401588 777256304 /nfs/dbraw/zinc/25/63/04/777256304.db2.gz CCNWSHUAJYLRGV-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041401588 777256310 /nfs/dbraw/zinc/25/63/10/777256310.db2.gz CCNWSHUAJYLRGV-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041401588 777256313 /nfs/dbraw/zinc/25/63/13/777256313.db2.gz CCNWSHUAJYLRGV-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266465372 939126408 /nfs/dbraw/zinc/12/64/08/939126408.db2.gz UWXPIDQISDQZKB-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266465372 939126410 /nfs/dbraw/zinc/12/64/10/939126410.db2.gz UWXPIDQISDQZKB-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1cnccn1 ZINC001480875323 939129092 /nfs/dbraw/zinc/12/90/92/939129092.db2.gz PNCBPTTWZLYOQG-ZBFHGGJFSA-N 2 1 315.421 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1cnccn1 ZINC001480875323 939129095 /nfs/dbraw/zinc/12/90/95/939129095.db2.gz PNCBPTTWZLYOQG-ZBFHGGJFSA-N 2 1 315.421 0.683 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001480883328 939161212 /nfs/dbraw/zinc/16/12/12/939161212.db2.gz CLIVZTHAEJQIGE-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001480883328 939161215 /nfs/dbraw/zinc/16/12/15/939161215.db2.gz CLIVZTHAEJQIGE-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001480883328 939161217 /nfs/dbraw/zinc/16/12/17/939161217.db2.gz CLIVZTHAEJQIGE-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001480883328 939161220 /nfs/dbraw/zinc/16/12/20/939161220.db2.gz CLIVZTHAEJQIGE-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001266601591 939175995 /nfs/dbraw/zinc/17/59/95/939175995.db2.gz HFWBCCNXPNQAPU-VQHPVUNQSA-N 2 1 319.449 0.890 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267110757 939347433 /nfs/dbraw/zinc/34/74/33/939347433.db2.gz ICHSJSGPNMVIIT-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001279235293 939396437 /nfs/dbraw/zinc/39/64/37/939396437.db2.gz BDULLJBLGNTZDE-SJJHQCBESA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC(N)=O)C(C)C)CC1 ZINC001267340593 939428404 /nfs/dbraw/zinc/42/84/04/939428404.db2.gz NURJDPMDVBFNQC-UHFFFAOYSA-N 2 1 322.453 0.034 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CCOC)C2)CC1 ZINC001267595662 939537106 /nfs/dbraw/zinc/53/71/06/939537106.db2.gz JYEJGMKLDQXJBY-INIZCTEOSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481099416 939560092 /nfs/dbraw/zinc/56/00/92/939560092.db2.gz FCWHSGRCQFLIBM-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481109528 939563655 /nfs/dbraw/zinc/56/36/55/939563655.db2.gz RGJKNGPXFMWLDH-OAHLLOKOSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001267609243 939570371 /nfs/dbraw/zinc/57/03/71/939570371.db2.gz UCQVAOXJYYUUBN-IRXDYDNUSA-N 2 1 320.481 0.426 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001267609243 939570372 /nfs/dbraw/zinc/57/03/72/939570372.db2.gz UCQVAOXJYYUUBN-IRXDYDNUSA-N 2 1 320.481 0.426 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001267609243 939570374 /nfs/dbraw/zinc/57/03/74/939570374.db2.gz UCQVAOXJYYUUBN-IRXDYDNUSA-N 2 1 320.481 0.426 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001267609243 939570375 /nfs/dbraw/zinc/57/03/75/939570375.db2.gz UCQVAOXJYYUUBN-IRXDYDNUSA-N 2 1 320.481 0.426 20 30 DCEDMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC#CCOC ZINC001267805600 939686455 /nfs/dbraw/zinc/68/64/55/939686455.db2.gz QZBSOOVHMKPMHV-JKSUJKDBSA-N 2 1 309.454 0.993 20 30 DCEDMP C=CCCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001481473774 939887899 /nfs/dbraw/zinc/88/78/99/939887899.db2.gz HGPXVRLBIIYAQY-QGZVFWFLSA-N 2 1 322.497 0.980 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268094429 939944278 /nfs/dbraw/zinc/94/42/78/939944278.db2.gz OHFBSCRKFRLMSI-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268116713 939950768 /nfs/dbraw/zinc/95/07/68/939950768.db2.gz TWUVEKCKAQJIQI-HOTGVXAUSA-N 2 1 309.454 0.708 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001268141678 939957590 /nfs/dbraw/zinc/95/75/90/939957590.db2.gz MPXLVNPLRHBJAT-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268364131 940082342 /nfs/dbraw/zinc/08/23/42/940082342.db2.gz BELNJBOGABJHQA-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268553816 940231637 /nfs/dbraw/zinc/23/16/37/940231637.db2.gz YIBZEPSXVCNAHQ-CWDCEQMOSA-N 2 1 307.438 0.773 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]CC1(O)CCOCC1 ZINC001246001927 945311779 /nfs/dbraw/zinc/31/17/79/945311779.db2.gz QGPVAKKQJPRJDZ-ZDUSSCGKSA-N 2 1 300.399 0.344 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001273143061 945317079 /nfs/dbraw/zinc/31/70/79/945317079.db2.gz ALIHTUYBROSSBU-WMZOPIPTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001273143061 945317087 /nfs/dbraw/zinc/31/70/87/945317087.db2.gz ALIHTUYBROSSBU-WMZOPIPTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001273143061 945317096 /nfs/dbraw/zinc/31/70/96/945317096.db2.gz ALIHTUYBROSSBU-WMZOPIPTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001273143061 945317105 /nfs/dbraw/zinc/31/71/05/945317105.db2.gz ALIHTUYBROSSBU-WMZOPIPTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001269186636 940642325 /nfs/dbraw/zinc/64/23/25/940642325.db2.gz COKLQCHIZCDWJN-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001269186636 940642327 /nfs/dbraw/zinc/64/23/27/940642327.db2.gz COKLQCHIZCDWJN-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001278432183 945340212 /nfs/dbraw/zinc/34/02/12/945340212.db2.gz BWPASTSGJGMXBF-RHSMWYFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001278432183 945340217 /nfs/dbraw/zinc/34/02/17/945340217.db2.gz BWPASTSGJGMXBF-RHSMWYFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001278432183 945340224 /nfs/dbraw/zinc/34/02/24/945340224.db2.gz BWPASTSGJGMXBF-RHSMWYFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001278432183 945340232 /nfs/dbraw/zinc/34/02/32/945340232.db2.gz BWPASTSGJGMXBF-RHSMWYFYSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482235406 940747023 /nfs/dbraw/zinc/74/70/23/940747023.db2.gz DUJSFWSXQZFQPS-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@@H](O)C1 ZINC001083563258 941943159 /nfs/dbraw/zinc/94/31/59/941943159.db2.gz GPISECQMQLOLRM-KGLIPLIRSA-N 2 1 306.410 0.664 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668080 942445337 /nfs/dbraw/zinc/44/53/37/942445337.db2.gz AZMWLURCDQBUAI-PMPSAXMXSA-N 2 1 307.438 0.598 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668080 942445341 /nfs/dbraw/zinc/44/53/41/942445341.db2.gz AZMWLURCDQBUAI-PMPSAXMXSA-N 2 1 307.438 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203214725 942489842 /nfs/dbraw/zinc/48/98/42/942489842.db2.gz NVXWOGVFAGMOBD-AWEZNQCLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484224004 943218052 /nfs/dbraw/zinc/21/80/52/943218052.db2.gz PXSOIPXZPSPRNZ-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484224004 943218058 /nfs/dbraw/zinc/21/80/58/943218058.db2.gz PXSOIPXZPSPRNZ-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484224004 943218068 /nfs/dbraw/zinc/21/80/68/943218068.db2.gz PXSOIPXZPSPRNZ-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001484236466 943239549 /nfs/dbraw/zinc/23/95/49/943239549.db2.gz PNDRJVLDKSQBPJ-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001484236466 943239553 /nfs/dbraw/zinc/23/95/53/943239553.db2.gz PNDRJVLDKSQBPJ-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001484236466 943239556 /nfs/dbraw/zinc/23/95/56/943239556.db2.gz PNDRJVLDKSQBPJ-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484240249 943244225 /nfs/dbraw/zinc/24/42/25/943244225.db2.gz AHFKFQPYYCLMRN-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001484240249 943244235 /nfs/dbraw/zinc/24/42/35/943244235.db2.gz AHFKFQPYYCLMRN-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001484240249 943244243 /nfs/dbraw/zinc/24/42/43/943244243.db2.gz AHFKFQPYYCLMRN-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484573615 943455304 /nfs/dbraw/zinc/45/53/04/943455304.db2.gz UPEVDYBLLVWYNT-ULQDDVLXSA-N 2 1 321.465 0.853 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001484856105 943601470 /nfs/dbraw/zinc/60/14/70/943601470.db2.gz NYPQSYOFOUGSIQ-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001484887163 943613624 /nfs/dbraw/zinc/61/36/24/943613624.db2.gz FVRPHPNKRCFUMN-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001485021114 943660123 /nfs/dbraw/zinc/66/01/23/943660123.db2.gz ZYGMQMLTUUNJHO-JKSUJKDBSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001485643809 944061137 /nfs/dbraw/zinc/06/11/37/944061137.db2.gz MPWNMYDQGMZQNN-GJZGRUSLSA-N 2 1 318.421 0.845 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001491549007 944114494 /nfs/dbraw/zinc/11/44/94/944114494.db2.gz UOPMGKVLRDBOKJ-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001485814175 944161461 /nfs/dbraw/zinc/16/14/61/944161461.db2.gz QCRQDJNSXAZBJA-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001272772023 944220996 /nfs/dbraw/zinc/22/09/96/944220996.db2.gz CHGPOWVLDWNCJO-CVEARBPZSA-N 2 1 309.454 0.993 20 30 DCEDMP Cn1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc1C#N ZINC001276608758 944231770 /nfs/dbraw/zinc/23/17/70/944231770.db2.gz URUIGQLWUGFRHR-SJORKVTESA-N 2 1 317.437 0.343 20 30 DCEDMP Cn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc1C#N ZINC001276608758 944231778 /nfs/dbraw/zinc/23/17/78/944231778.db2.gz URUIGQLWUGFRHR-SJORKVTESA-N 2 1 317.437 0.343 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001486097486 944554645 /nfs/dbraw/zinc/55/46/45/944554645.db2.gz UERYMHOJCDBAMW-UKRRQHHQSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001276928156 944596848 /nfs/dbraw/zinc/59/68/48/944596848.db2.gz JPELCEPULKYXNG-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001317005086 944734957 /nfs/dbraw/zinc/73/49/57/944734957.db2.gz DWYBNIUYGUBVLF-JKSUJKDBSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001486509401 944944781 /nfs/dbraw/zinc/94/47/81/944944781.db2.gz RTORORQXEPUNIQ-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001486509401 944944790 /nfs/dbraw/zinc/94/47/90/944944790.db2.gz RTORORQXEPUNIQ-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001486509401 944944798 /nfs/dbraw/zinc/94/47/98/944944798.db2.gz RTORORQXEPUNIQ-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317416294 944961448 /nfs/dbraw/zinc/96/14/48/944961448.db2.gz TWBQWVHXCDWLPF-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001277844099 945004381 /nfs/dbraw/zinc/00/43/81/945004381.db2.gz HCVISDIXHGDNLC-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001277844099 945004393 /nfs/dbraw/zinc/00/43/93/945004393.db2.gz HCVISDIXHGDNLC-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001277843229 945005347 /nfs/dbraw/zinc/00/53/47/945005347.db2.gz AYQUBACBTCCDSR-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001277843229 945005357 /nfs/dbraw/zinc/00/53/57/945005357.db2.gz AYQUBACBTCCDSR-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001317525924 945023004 /nfs/dbraw/zinc/02/30/04/945023004.db2.gz GTYQNIOLDJOGEJ-HNNXBMFYSA-N 2 1 304.394 0.279 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001317525924 945023013 /nfs/dbraw/zinc/02/30/13/945023013.db2.gz GTYQNIOLDJOGEJ-HNNXBMFYSA-N 2 1 304.394 0.279 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001319250870 945534507 /nfs/dbraw/zinc/53/45/07/945534507.db2.gz NKFOAVYTWUJZQL-HNNXBMFYSA-N 2 1 320.437 0.998 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001319981433 945709837 /nfs/dbraw/zinc/70/98/37/945709837.db2.gz OFGTZPNCDAQFQC-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001319981433 945709847 /nfs/dbraw/zinc/70/98/47/945709847.db2.gz OFGTZPNCDAQFQC-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001319981433 945709859 /nfs/dbraw/zinc/70/98/59/945709859.db2.gz OFGTZPNCDAQFQC-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001319981433 945709870 /nfs/dbraw/zinc/70/98/70/945709870.db2.gz OFGTZPNCDAQFQC-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C=C[C@](C)(O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252546777 945957531 /nfs/dbraw/zinc/95/75/31/945957531.db2.gz AUGGAJSLVYMETO-SFHVURJKSA-N 2 1 319.449 0.748 20 30 DCEDMP C=C[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001253577247 946133075 /nfs/dbraw/zinc/13/30/75/946133075.db2.gz LKAQLIROFDYPLE-TWMKSMIVSA-N 2 1 319.453 0.998 20 30 DCEDMP C=C[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001253577247 946133079 /nfs/dbraw/zinc/13/30/79/946133079.db2.gz LKAQLIROFDYPLE-TWMKSMIVSA-N 2 1 319.453 0.998 20 30 DCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001253577247 946133084 /nfs/dbraw/zinc/13/30/84/946133084.db2.gz LKAQLIROFDYPLE-TWMKSMIVSA-N 2 1 319.453 0.998 20 30 DCEDMP C=C[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001253577247 946133089 /nfs/dbraw/zinc/13/30/89/946133089.db2.gz LKAQLIROFDYPLE-TWMKSMIVSA-N 2 1 319.453 0.998 20 30 DCEDMP C=CCN1CC[NH+](C)C2(CCN([C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001255434461 946507719 /nfs/dbraw/zinc/50/77/19/946507719.db2.gz RFOIQXHTBWQNKF-OAHLLOKOSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CCN1CC[NH+](C)C2(CCN([C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001255434461 946507729 /nfs/dbraw/zinc/50/77/29/946507729.db2.gz RFOIQXHTBWQNKF-OAHLLOKOSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CCN1CC[N@@H+](C)C2(CCN([C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC001255434461 946507738 /nfs/dbraw/zinc/50/77/38/946507738.db2.gz RFOIQXHTBWQNKF-OAHLLOKOSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CCN1CC[N@H+](C)C2(CCN([C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC001255434461 946507750 /nfs/dbraw/zinc/50/77/50/946507750.db2.gz RFOIQXHTBWQNKF-OAHLLOKOSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001322243393 946626184 /nfs/dbraw/zinc/62/61/84/946626184.db2.gz FFEYRBNKUHBSEA-CYBMUJFWSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001322243393 946626192 /nfs/dbraw/zinc/62/61/92/946626192.db2.gz FFEYRBNKUHBSEA-CYBMUJFWSA-N 2 1 304.394 0.954 20 30 DCEDMP CC#CCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)CCOC ZINC001279056376 946774983 /nfs/dbraw/zinc/77/49/83/946774983.db2.gz ZVVUSNQBFNDXER-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001411059447 947284789 /nfs/dbraw/zinc/28/47/89/947284789.db2.gz MFLYZNTXDQFYQP-QWHCGFSZSA-N 2 1 303.834 0.632 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=C)C)CCOCC1 ZINC001325005788 947609111 /nfs/dbraw/zinc/60/91/11/947609111.db2.gz SWGNCRWDBXNSKS-INIZCTEOSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=C)C)CCOCC1 ZINC001325005788 947609115 /nfs/dbraw/zinc/60/91/15/947609115.db2.gz SWGNCRWDBXNSKS-INIZCTEOSA-N 2 1 319.449 0.915 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001325100390 947651812 /nfs/dbraw/zinc/65/18/12/947651812.db2.gz ADPZROYSDADPMD-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001325100390 947651819 /nfs/dbraw/zinc/65/18/19/947651819.db2.gz ADPZROYSDADPMD-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001325102617 947654282 /nfs/dbraw/zinc/65/42/82/947654282.db2.gz RQSTVYHVJWOOGS-ZBFHGGJFSA-N 2 1 313.417 0.243 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001325771929 947919328 /nfs/dbraw/zinc/91/93/28/947919328.db2.gz FXZDVYTYPXVPLO-IYBDPMFKSA-N 2 1 319.449 0.675 20 30 DCEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001273728313 948051307 /nfs/dbraw/zinc/05/13/07/948051307.db2.gz LZZLYTKBUGCEDV-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001273729516 948053697 /nfs/dbraw/zinc/05/36/97/948053697.db2.gz UFFDQCRXVKYGGC-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001273729516 948053706 /nfs/dbraw/zinc/05/37/06/948053706.db2.gz UFFDQCRXVKYGGC-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001326436356 948163349 /nfs/dbraw/zinc/16/33/49/948163349.db2.gz CLJOLSQHEJFPAW-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001493129325 948611122 /nfs/dbraw/zinc/61/11/22/948611122.db2.gz AJBRRQKBNRQWII-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001264080129 948873110 /nfs/dbraw/zinc/87/31/10/948873110.db2.gz HBYWEMSDULRTPQ-OAHLLOKOSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001264080129 948873129 /nfs/dbraw/zinc/87/31/29/948873129.db2.gz HBYWEMSDULRTPQ-OAHLLOKOSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCOC)[C@@H]2C)CC1 ZINC001264733575 949097718 /nfs/dbraw/zinc/09/77/18/949097718.db2.gz HXLIXQQSTSSSLQ-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](CC)CCO)C1 ZINC001489160553 949572157 /nfs/dbraw/zinc/57/21/57/949572157.db2.gz JKGXPLNFNBPPTF-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](CC)CCO)C1 ZINC001489160553 949572170 /nfs/dbraw/zinc/57/21/70/949572170.db2.gz JKGXPLNFNBPPTF-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CC)CCO)C1 ZINC001489160553 949572185 /nfs/dbraw/zinc/57/21/85/949572185.db2.gz JKGXPLNFNBPPTF-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CC)CCO)C1 ZINC001489160553 949572200 /nfs/dbraw/zinc/57/22/00/949572200.db2.gz JKGXPLNFNBPPTF-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001265323226 949605526 /nfs/dbraw/zinc/60/55/26/949605526.db2.gz FZCLUQLYORHUCI-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001265367832 949634898 /nfs/dbraw/zinc/63/48/98/949634898.db2.gz FJIYXZQRSFLQIV-ZBFHGGJFSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CCO)CC1 ZINC001489333796 949732169 /nfs/dbraw/zinc/73/21/69/949732169.db2.gz VIRXJMBKCLKIAS-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001330686507 950587718 /nfs/dbraw/zinc/58/77/18/950587718.db2.gz LZLSPRSEARLGRP-JYJNAYRXSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001279508867 950609711 /nfs/dbraw/zinc/60/97/11/950609711.db2.gz HALIHUUEXRZDOG-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001279508867 950609731 /nfs/dbraw/zinc/60/97/31/950609731.db2.gz HALIHUUEXRZDOG-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001279508867 950609744 /nfs/dbraw/zinc/60/97/44/950609744.db2.gz HALIHUUEXRZDOG-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001490469760 950709467 /nfs/dbraw/zinc/70/94/67/950709467.db2.gz IXNLEAGAKKVBJJ-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001332199441 951517788 /nfs/dbraw/zinc/51/77/88/951517788.db2.gz PGTNPMPASXDONZ-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001332199441 951517795 /nfs/dbraw/zinc/51/77/95/951517795.db2.gz PGTNPMPASXDONZ-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C[C@](C)(O)C[N@@H+]1CCC[C@]12CCN(Cc1cncn1C)C2=O ZINC001274617276 951744965 /nfs/dbraw/zinc/74/49/65/951744965.db2.gz WTVOQKLPRAZDPP-DLBZAZTESA-N 2 1 318.421 0.924 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001274720624 951805748 /nfs/dbraw/zinc/80/57/48/951805748.db2.gz ZSWNFUMCLMNUON-JKSUJKDBSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C ZINC001274791816 951838797 /nfs/dbraw/zinc/83/87/97/951838797.db2.gz RBPRJDNABLZNIR-ZBFHGGJFSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C ZINC001274791816 951838802 /nfs/dbraw/zinc/83/88/02/951838802.db2.gz RBPRJDNABLZNIR-ZBFHGGJFSA-N 2 1 317.437 0.155 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC001334169644 952252594 /nfs/dbraw/zinc/25/25/94/952252594.db2.gz XBPDDBNLMZMZTB-UHFFFAOYSA-N 2 1 323.485 0.526 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001341104097 953211040 /nfs/dbraw/zinc/21/10/40/953211040.db2.gz PVDLZDBBIOGIJC-UHFFFAOYSA-N 2 1 316.405 0.132 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCOC)C1 ZINC001316618565 953534124 /nfs/dbraw/zinc/53/41/24/953534124.db2.gz UDXSTZFHJKQCLI-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCOC)C1 ZINC001316618565 953534132 /nfs/dbraw/zinc/53/41/32/953534132.db2.gz UDXSTZFHJKQCLI-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001282392042 953566872 /nfs/dbraw/zinc/56/68/72/953566872.db2.gz UIEHDNWHDDSOTA-AWEZNQCLSA-N 2 1 305.426 0.518 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001282834324 953689261 /nfs/dbraw/zinc/68/92/61/953689261.db2.gz UZKIUPDPYPEOLZ-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284056101 954819383 /nfs/dbraw/zinc/81/93/83/954819383.db2.gz DYRDOJLWRRQVTO-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284056101 954819393 /nfs/dbraw/zinc/81/93/93/954819393.db2.gz DYRDOJLWRRQVTO-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001284056101 954819402 /nfs/dbraw/zinc/81/94/02/954819402.db2.gz DYRDOJLWRRQVTO-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001284056101 954819413 /nfs/dbraw/zinc/81/94/13/954819413.db2.gz DYRDOJLWRRQVTO-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001354504271 956410718 /nfs/dbraw/zinc/41/07/18/956410718.db2.gz AHVMXKBVDXHPCN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001354504271 956410722 /nfs/dbraw/zinc/41/07/22/956410722.db2.gz AHVMXKBVDXHPCN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[NH+](C)CCC ZINC001354504271 956410727 /nfs/dbraw/zinc/41/07/27/956410727.db2.gz AHVMXKBVDXHPCN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[NH+](C)CCC ZINC001354504271 956410731 /nfs/dbraw/zinc/41/07/31/956410731.db2.gz AHVMXKBVDXHPCN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001358104110 957424961 /nfs/dbraw/zinc/42/49/61/957424961.db2.gz SEYQGJBVNVCBJO-OWCLPIDISA-N 3 1 319.453 0.435 20 30 DCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001358104110 957424966 /nfs/dbraw/zinc/42/49/66/957424966.db2.gz SEYQGJBVNVCBJO-OWCLPIDISA-N 2 1 319.453 0.435 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001491675571 959117765 /nfs/dbraw/zinc/11/77/65/959117765.db2.gz VDHYKYPPSMURKW-GXTWGEPZSA-N 2 1 319.409 0.073 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001448835068 1014064609 /nfs/dbraw/zinc/06/46/09/1014064609.db2.gz DXBSZPUVTLUAIR-QWHCGFSZSA-N 2 1 301.818 0.147 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C[NH+](C)C)CC1)CO2 ZINC001502464883 1015937077 /nfs/dbraw/zinc/93/70/77/1015937077.db2.gz QMDILTZHPFQWHH-AWEZNQCLSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001502571082 1015976676 /nfs/dbraw/zinc/97/66/76/1015976676.db2.gz XWHCNUYOPOIHDH-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001502571080 1015977058 /nfs/dbraw/zinc/97/70/58/1015977058.db2.gz XWHCNUYOPOIHDH-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001505446593 1016247956 /nfs/dbraw/zinc/24/79/56/1016247956.db2.gz OKMSDINVZQZTCP-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001505446593 1016247964 /nfs/dbraw/zinc/24/79/64/1016247964.db2.gz OKMSDINVZQZTCP-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001505446593 1016247970 /nfs/dbraw/zinc/24/79/70/1016247970.db2.gz OKMSDINVZQZTCP-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001505443549 1016248009 /nfs/dbraw/zinc/24/80/09/1016248009.db2.gz LZHVDJOHWPGXBL-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001507387637 1016297179 /nfs/dbraw/zinc/29/71/79/1016297179.db2.gz QYYODURTRUYQAE-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001507387637 1016297190 /nfs/dbraw/zinc/29/71/90/1016297190.db2.gz QYYODURTRUYQAE-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001507387637 1016297203 /nfs/dbraw/zinc/29/72/03/1016297203.db2.gz QYYODURTRUYQAE-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001507387637 1016297211 /nfs/dbraw/zinc/29/72/11/1016297211.db2.gz QYYODURTRUYQAE-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CCOC ZINC001508048302 1016629068 /nfs/dbraw/zinc/62/90/68/1016629068.db2.gz NGKQNKCBKKUQIP-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CCOC ZINC001508048302 1016629074 /nfs/dbraw/zinc/62/90/74/1016629074.db2.gz NGKQNKCBKKUQIP-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CCOC ZINC001508049621 1016632809 /nfs/dbraw/zinc/63/28/09/1016632809.db2.gz IIWBUHACMBHRRZ-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CCOC ZINC001508049621 1016632825 /nfs/dbraw/zinc/63/28/25/1016632825.db2.gz IIWBUHACMBHRRZ-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001508178231 1016686517 /nfs/dbraw/zinc/68/65/17/1016686517.db2.gz KMYWTJFWXPGSDD-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001508224705 1016720858 /nfs/dbraw/zinc/72/08/58/1016720858.db2.gz INMXUZVCXJAWPS-UHFFFAOYSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(CC)CCO1 ZINC001474190938 1017009374 /nfs/dbraw/zinc/00/93/74/1017009374.db2.gz PJOAPQDODJIDMB-IKGGRYGDSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001474190938 1017009383 /nfs/dbraw/zinc/00/93/83/1017009383.db2.gz PJOAPQDODJIDMB-IKGGRYGDSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001474190938 1017009393 /nfs/dbraw/zinc/00/93/93/1017009393.db2.gz PJOAPQDODJIDMB-IKGGRYGDSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001474190938 1017009414 /nfs/dbraw/zinc/00/94/14/1017009414.db2.gz PJOAPQDODJIDMB-IKGGRYGDSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2(CCO)C[NH+](CC(C)C)C2)CC1 ZINC001506146766 1017068606 /nfs/dbraw/zinc/06/86/06/1017068606.db2.gz ZEWNDRMZIIRCIV-UHFFFAOYSA-N 2 1 321.465 0.541 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001423541181 1011237037 /nfs/dbraw/zinc/23/70/37/1011237037.db2.gz CRQOWOZKSKQXAQ-STQMWFEESA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001423541181 1011237053 /nfs/dbraw/zinc/23/70/53/1011237053.db2.gz CRQOWOZKSKQXAQ-STQMWFEESA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423541181 1011237062 /nfs/dbraw/zinc/23/70/62/1011237062.db2.gz CRQOWOZKSKQXAQ-STQMWFEESA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423541181 1011237074 /nfs/dbraw/zinc/23/70/74/1011237074.db2.gz CRQOWOZKSKQXAQ-STQMWFEESA-N 2 1 303.834 0.442 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001521490673 1017388277 /nfs/dbraw/zinc/38/82/77/1017388277.db2.gz UIOUZCOIAUCALH-HZPDHXFCSA-N 2 1 324.469 0.193 20 30 DCEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001479928268 1017991015 /nfs/dbraw/zinc/99/10/15/1017991015.db2.gz KCEISHOBWBTKHS-MRXNPFEDSA-N 2 1 308.470 0.781 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001479942081 1018017268 /nfs/dbraw/zinc/01/72/68/1018017268.db2.gz HNELTKGUVHSBNO-CALCHBBNSA-N 2 1 320.481 0.616 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001479942081 1018017278 /nfs/dbraw/zinc/01/72/78/1018017278.db2.gz HNELTKGUVHSBNO-CALCHBBNSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001480046971 1018156307 /nfs/dbraw/zinc/15/63/07/1018156307.db2.gz NFXXVRMINLIXJS-ZBFHGGJFSA-N 2 1 300.406 0.872 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC#CCOC)C1CC1 ZINC001480064836 1018175790 /nfs/dbraw/zinc/17/57/90/1018175790.db2.gz DDPDANJFYDOHFH-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001500695181 1018585115 /nfs/dbraw/zinc/58/51/15/1018585115.db2.gz HDNYGPNLCAQNDT-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001500695181 1018585123 /nfs/dbraw/zinc/58/51/23/1018585123.db2.gz HDNYGPNLCAQNDT-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001500695181 1018585133 /nfs/dbraw/zinc/58/51/33/1018585133.db2.gz HDNYGPNLCAQNDT-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001500715203 1018606327 /nfs/dbraw/zinc/60/63/27/1018606327.db2.gz TVFHFZPWESPKEW-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001500715203 1018606332 /nfs/dbraw/zinc/60/63/32/1018606332.db2.gz TVFHFZPWESPKEW-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001500715203 1018606335 /nfs/dbraw/zinc/60/63/35/1018606335.db2.gz TVFHFZPWESPKEW-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001501307534 1019032128 /nfs/dbraw/zinc/03/21/28/1019032128.db2.gz JSRVDNVGALNPAJ-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001501307534 1019032143 /nfs/dbraw/zinc/03/21/43/1019032143.db2.gz JSRVDNVGALNPAJ-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001501307534 1019032163 /nfs/dbraw/zinc/03/21/63/1019032163.db2.gz JSRVDNVGALNPAJ-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001501307534 1019032176 /nfs/dbraw/zinc/03/21/76/1019032176.db2.gz JSRVDNVGALNPAJ-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)cn1 ZINC001493581121 1019538216 /nfs/dbraw/zinc/53/82/16/1019538216.db2.gz ZNOGUQKUNVCRMW-INIZCTEOSA-N 2 1 318.396 0.866 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)cn1 ZINC001493581121 1019538232 /nfs/dbraw/zinc/53/82/32/1019538232.db2.gz ZNOGUQKUNVCRMW-INIZCTEOSA-N 2 1 318.396 0.866 20 30 DCEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCc2ccccc21 ZINC000088637788 395708118 /nfs/dbraw/zinc/70/81/18/395708118.db2.gz WBOAMMVRZMZIOZ-HNNXBMFYSA-N 2 1 301.438 0.870 20 30 DCEDMP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000598718494 397283359 /nfs/dbraw/zinc/28/33/59/397283359.db2.gz FLUVPLIQSGVDGS-HZPDHXFCSA-N 2 1 324.469 0.283 20 30 DCEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719436 397283527 /nfs/dbraw/zinc/28/35/27/397283527.db2.gz IFUKXGXTBHIECP-GJZGRUSLSA-N 2 1 324.469 0.819 20 30 DCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719436 397283530 /nfs/dbraw/zinc/28/35/30/397283530.db2.gz IFUKXGXTBHIECP-GJZGRUSLSA-N 2 1 324.469 0.819 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000491041318 397499837 /nfs/dbraw/zinc/49/98/37/397499837.db2.gz YMMXDDHDDUDMOC-HUUCEWRRSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000491041318 397499843 /nfs/dbraw/zinc/49/98/43/397499843.db2.gz YMMXDDHDDUDMOC-HUUCEWRRSA-N 2 1 307.438 0.245 20 30 DCEDMP C[N@@H+](CCOc1cccc(CNC(N)=[NH2+])c1)C1CCOCC1 ZINC000103338718 415616604 /nfs/dbraw/zinc/61/66/04/415616604.db2.gz POOIRROKMAPOEO-UHFFFAOYSA-N 2 1 306.410 0.950 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1COc2ccccc21 ZINC000288676136 415683803 /nfs/dbraw/zinc/68/38/03/415683803.db2.gz IDJCGLYISMHLMZ-AWEZNQCLSA-N 2 1 318.421 0.789 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000343745505 415709626 /nfs/dbraw/zinc/70/96/26/415709626.db2.gz ZUGZJNBZBLIYFG-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000341913415 416251013 /nfs/dbraw/zinc/25/10/13/416251013.db2.gz RYYXXIMSYZKXOB-HVKXIDHRSA-N 2 1 304.434 0.395 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[N@@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000341913415 416251014 /nfs/dbraw/zinc/25/10/14/416251014.db2.gz RYYXXIMSYZKXOB-HVKXIDHRSA-N 2 1 304.434 0.395 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[N@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000341913415 416251016 /nfs/dbraw/zinc/25/10/16/416251016.db2.gz RYYXXIMSYZKXOB-HVKXIDHRSA-N 2 1 304.434 0.395 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000491750679 416624158 /nfs/dbraw/zinc/62/41/58/416624158.db2.gz WXKGRLZDEZOLKO-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP C=CC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000638496245 417475951 /nfs/dbraw/zinc/47/59/51/417475951.db2.gz REWOWGSMBCKYLJ-XJKSGUPXSA-N 2 1 308.426 0.141 20 30 DCEDMP C=CCCn1cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000657347081 417849615 /nfs/dbraw/zinc/84/96/15/417849615.db2.gz SIFYEOJRVSBZPK-HNNXBMFYSA-N 2 1 306.458 0.827 20 30 DCEDMP C=CC[C@@]1(C(=O)N(C)CCC[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000662792166 417905354 /nfs/dbraw/zinc/90/53/54/417905354.db2.gz ZRSIHIOTYQCKNV-KRWDZBQOSA-N 2 1 308.470 0.781 20 30 DCEDMP CCCCNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264080808 275975781 /nfs/dbraw/zinc/97/57/81/275975781.db2.gz ILUFTSWSLYTCOL-UHFFFAOYSA-N 2 1 319.457 0.693 20 30 DCEDMP C[NH+]=C(NCC1(O)CCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262781875 276841098 /nfs/dbraw/zinc/84/10/98/276841098.db2.gz LIJRSOMNTZUXTR-AWEZNQCLSA-N 2 1 310.442 0.131 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491327987 333023312 /nfs/dbraw/zinc/02/33/12/333023312.db2.gz ZNNGJLGFVZNSKO-IYBDPMFKSA-N 2 1 324.469 0.740 20 30 DCEDMP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000329793139 336082407 /nfs/dbraw/zinc/08/24/07/336082407.db2.gz AUKLVDQGFZQDDI-CABCVRRESA-N 2 1 323.485 0.610 20 30 DCEDMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)CN1CC[NH+](C)CC1 ZINC000329793139 336082408 /nfs/dbraw/zinc/08/24/08/336082408.db2.gz AUKLVDQGFZQDDI-CABCVRRESA-N 2 1 323.485 0.610 20 30 DCEDMP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)CN1CC[NH+](C)CC1 ZINC000329793139 336082409 /nfs/dbraw/zinc/08/24/09/336082409.db2.gz AUKLVDQGFZQDDI-CABCVRRESA-N 2 1 323.485 0.610 20 30 DCEDMP CC[N@H+](C)CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000104181287 336246423 /nfs/dbraw/zinc/24/64/23/336246423.db2.gz XLTOEMWEHWLQAS-UHFFFAOYSA-N 2 1 313.446 0.806 20 30 DCEDMP CC[N@@H+](C)CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000104181287 336246424 /nfs/dbraw/zinc/24/64/24/336246424.db2.gz XLTOEMWEHWLQAS-UHFFFAOYSA-N 2 1 313.446 0.806 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000352906627 336375924 /nfs/dbraw/zinc/37/59/24/336375924.db2.gz CUHCJKBIFMHXDL-AWEZNQCLSA-N 2 1 310.442 0.345 20 30 DCEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CN(C)CCC#N)CCCO1 ZINC000583079772 337236756 /nfs/dbraw/zinc/23/67/56/337236756.db2.gz KYFRUQHMTGBKAE-HZPDHXFCSA-N 2 1 312.458 0.283 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000359291761 526417663 /nfs/dbraw/zinc/41/76/63/526417663.db2.gz QVCHDLZOFUZWDY-UHFFFAOYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358720762 526591594 /nfs/dbraw/zinc/59/15/94/526591594.db2.gz MFQNUAPMOYHMLE-MRXNPFEDSA-N 2 1 310.442 0.393 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261692891 528813350 /nfs/dbraw/zinc/81/33/50/528813350.db2.gz FGWWEPDCPPJEAR-NWANDNLSSA-N 2 1 310.442 0.440 20 30 DCEDMP C=C(C)[C@H](CO)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000677480566 547880827 /nfs/dbraw/zinc/88/08/27/547880827.db2.gz ZSCUOTHXFAIXHI-INIZCTEOSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001027929497 660935343 /nfs/dbraw/zinc/93/53/43/660935343.db2.gz GLFREOKZWWEPEZ-IAGOWNOFSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001027929497 660935345 /nfs/dbraw/zinc/93/53/45/660935345.db2.gz GLFREOKZWWEPEZ-IAGOWNOFSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027929497 660935346 /nfs/dbraw/zinc/93/53/46/660935346.db2.gz GLFREOKZWWEPEZ-IAGOWNOFSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001027929497 660935348 /nfs/dbraw/zinc/93/53/48/660935348.db2.gz GLFREOKZWWEPEZ-IAGOWNOFSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981819028 661222843 /nfs/dbraw/zinc/22/28/43/661222843.db2.gz KQDUDYDDOUDRFT-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981819028 661222844 /nfs/dbraw/zinc/22/28/44/661222844.db2.gz KQDUDYDDOUDRFT-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981819028 661222846 /nfs/dbraw/zinc/22/28/46/661222846.db2.gz KQDUDYDDOUDRFT-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCO)C2 ZINC000981819028 661222847 /nfs/dbraw/zinc/22/28/47/661222847.db2.gz KQDUDYDDOUDRFT-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCO)C2 ZINC000981819028 661222848 /nfs/dbraw/zinc/22/28/48/661222848.db2.gz KQDUDYDDOUDRFT-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982071216 661287562 /nfs/dbraw/zinc/28/75/62/661287562.db2.gz CPZIQHMYROUQML-UHFFFAOYSA-N 2 1 307.438 0.819 20 30 DCEDMP C=CC[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982071216 661287563 /nfs/dbraw/zinc/28/75/63/661287563.db2.gz CPZIQHMYROUQML-UHFFFAOYSA-N 2 1 307.438 0.819 20 30 DCEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971677399 657551430 /nfs/dbraw/zinc/55/14/30/657551430.db2.gz KFQGSIVYTNNWRD-HOTGVXAUSA-N 2 1 319.453 0.922 20 30 DCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971677399 657551437 /nfs/dbraw/zinc/55/14/37/657551437.db2.gz KFQGSIVYTNNWRD-HOTGVXAUSA-N 2 1 319.453 0.922 20 30 DCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970560948 657630636 /nfs/dbraw/zinc/63/06/36/657630636.db2.gz RCXSHVINGSDWHX-AWEZNQCLSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001023448945 657874863 /nfs/dbraw/zinc/87/48/63/657874863.db2.gz BVYCIYAFGNAYOD-HUUCEWRRSA-N 2 1 300.406 0.907 20 30 DCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500425 657935986 /nfs/dbraw/zinc/93/59/86/657935986.db2.gz UFGVSOAWMZSXCI-VUGNNNGISA-N 2 1 319.449 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC#C)C2)CC1 ZINC001023761650 658216810 /nfs/dbraw/zinc/21/68/10/658216810.db2.gz FZRQZNRNCZHTQW-MRXNPFEDSA-N 2 1 301.434 0.793 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021693274 658240535 /nfs/dbraw/zinc/24/05/35/658240535.db2.gz ZGBNSCRSNTZCAC-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021693274 658240539 /nfs/dbraw/zinc/24/05/39/658240539.db2.gz ZGBNSCRSNTZCAC-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001024444249 658625293 /nfs/dbraw/zinc/62/52/93/658625293.db2.gz YAALMNONFRVTJS-OAHLLOKOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001024444249 658625295 /nfs/dbraw/zinc/62/52/95/658625295.db2.gz YAALMNONFRVTJS-OAHLLOKOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498518 659627440 /nfs/dbraw/zinc/62/74/40/659627440.db2.gz HMHMFKAGGZHLFN-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001027498518 659627443 /nfs/dbraw/zinc/62/74/43/659627443.db2.gz HMHMFKAGGZHLFN-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001027498518 659627444 /nfs/dbraw/zinc/62/74/44/659627444.db2.gz HMHMFKAGGZHLFN-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982158290 661299719 /nfs/dbraw/zinc/29/97/19/661299719.db2.gz JJANQGIPFVLXCA-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982158290 661299721 /nfs/dbraw/zinc/29/97/21/661299721.db2.gz JJANQGIPFVLXCA-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158290 661299722 /nfs/dbraw/zinc/29/97/22/661299722.db2.gz JJANQGIPFVLXCA-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158290 661299725 /nfs/dbraw/zinc/29/97/25/661299725.db2.gz JJANQGIPFVLXCA-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)COC)CC1 ZINC001028333551 661462517 /nfs/dbraw/zinc/46/25/17/661462517.db2.gz NZDHDVNOKDATOJ-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC#CC)CC1 ZINC001028333763 661463829 /nfs/dbraw/zinc/46/38/29/661463829.db2.gz QQZUGOOYPJAZIW-QGZVFWFLSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000187385 665768271 /nfs/dbraw/zinc/76/82/71/665768271.db2.gz HJAKCEDBMGFNFE-GDBMZVCRSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000187385 665768274 /nfs/dbraw/zinc/76/82/74/665768274.db2.gz HJAKCEDBMGFNFE-GDBMZVCRSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592884 661662699 /nfs/dbraw/zinc/66/26/99/661662699.db2.gz UUELVYVSHFJKBS-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028592884 661662700 /nfs/dbraw/zinc/66/27/00/661662700.db2.gz UUELVYVSHFJKBS-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028592884 661662701 /nfs/dbraw/zinc/66/27/01/661662701.db2.gz UUELVYVSHFJKBS-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698226 661764845 /nfs/dbraw/zinc/76/48/45/661764845.db2.gz DLHAUUHKUYBMRE-CTMQZQKCSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000895056050 662054270 /nfs/dbraw/zinc/05/42/70/662054270.db2.gz AXJABSZNSYNDTF-CVEARBPZSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895056050 662054272 /nfs/dbraw/zinc/05/42/72/662054272.db2.gz AXJABSZNSYNDTF-CVEARBPZSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895056050 662054276 /nfs/dbraw/zinc/05/42/76/662054276.db2.gz AXJABSZNSYNDTF-CVEARBPZSA-N 2 1 322.453 0.182 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831576 665857901 /nfs/dbraw/zinc/85/79/01/665857901.db2.gz NZWNZZRDHXYJLL-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831576 665857902 /nfs/dbraw/zinc/85/79/02/665857902.db2.gz NZWNZZRDHXYJLL-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831576 665857903 /nfs/dbraw/zinc/85/79/03/665857903.db2.gz NZWNZZRDHXYJLL-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831576 665857904 /nfs/dbraw/zinc/85/79/04/665857904.db2.gz NZWNZZRDHXYJLL-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000985443820 662450862 /nfs/dbraw/zinc/45/08/62/662450862.db2.gz ZEBLTFRFEOCGCX-JKSUJKDBSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000985443820 662450863 /nfs/dbraw/zinc/45/08/63/662450863.db2.gz ZEBLTFRFEOCGCX-JKSUJKDBSA-N 2 1 305.422 0.406 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179082886 662452257 /nfs/dbraw/zinc/45/22/57/662452257.db2.gz LFPMSKFBWKVHAU-CABCVRRESA-N 2 1 310.442 0.395 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000985803754 662515230 /nfs/dbraw/zinc/51/52/30/662515230.db2.gz JKASIINRDZYLIT-UHFFFAOYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC#C)[C@@H]2C)CC1 ZINC000994493645 665116472 /nfs/dbraw/zinc/11/64/72/665116472.db2.gz FBBMESHJLVZQCW-WBVHZDCISA-N 2 1 301.434 0.934 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941460262 666000180 /nfs/dbraw/zinc/00/01/80/666000180.db2.gz NRRBTIKVRGDGOA-KRWDZBQOSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941460262 666000181 /nfs/dbraw/zinc/00/01/81/666000181.db2.gz NRRBTIKVRGDGOA-KRWDZBQOSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941461066 666000224 /nfs/dbraw/zinc/00/02/24/666000224.db2.gz XMORTIXVXMDCKE-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000941455319 666003582 /nfs/dbraw/zinc/00/35/82/666003582.db2.gz NUHHJRHCYVDEJF-MRXNPFEDSA-N 2 1 306.454 0.178 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566359 666023929 /nfs/dbraw/zinc/02/39/29/666023929.db2.gz CSXWDEZYJQHDSK-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566359 666023931 /nfs/dbraw/zinc/02/39/31/666023931.db2.gz CSXWDEZYJQHDSK-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941638501 666033406 /nfs/dbraw/zinc/03/34/06/666033406.db2.gz GBLIKSIKZZLWAJ-MRXNPFEDSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941638501 666033409 /nfs/dbraw/zinc/03/34/09/666033409.db2.gz GBLIKSIKZZLWAJ-MRXNPFEDSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001002137903 666135375 /nfs/dbraw/zinc/13/53/75/666135375.db2.gz DUEWVGJCZULJAM-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002137903 666135377 /nfs/dbraw/zinc/13/53/77/666135377.db2.gz DUEWVGJCZULJAM-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002875633 666238248 /nfs/dbraw/zinc/23/82/48/666238248.db2.gz ONBKXDCSGZBVCG-CVEARBPZSA-N 2 1 305.422 0.454 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002875639 666238284 /nfs/dbraw/zinc/23/82/84/666238284.db2.gz ONBKXDCSGZBVCG-JKSUJKDBSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2C)CC1 ZINC000945178668 666577354 /nfs/dbraw/zinc/57/73/54/666577354.db2.gz FZORXFCTOSIUQL-WBVHZDCISA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001034044710 666906299 /nfs/dbraw/zinc/90/62/99/666906299.db2.gz DMWWKTDOASENOX-DOTOQJQBSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCO)CC1 ZINC001005517822 666941239 /nfs/dbraw/zinc/94/12/39/666941239.db2.gz FGYMYKYFDBHOKZ-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCO)CC1 ZINC001005517822 666941242 /nfs/dbraw/zinc/94/12/42/666941242.db2.gz FGYMYKYFDBHOKZ-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318693 666988080 /nfs/dbraw/zinc/98/80/80/666988080.db2.gz DVUPJXKXMJTKHE-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034318693 666988081 /nfs/dbraw/zinc/98/80/81/666988081.db2.gz DVUPJXKXMJTKHE-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034318693 666988083 /nfs/dbraw/zinc/98/80/83/666988083.db2.gz DVUPJXKXMJTKHE-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034534196 667060900 /nfs/dbraw/zinc/06/09/00/667060900.db2.gz JIIFMMMVOUPQFE-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034534196 667060904 /nfs/dbraw/zinc/06/09/04/667060904.db2.gz JIIFMMMVOUPQFE-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034534196 667060907 /nfs/dbraw/zinc/06/09/07/667060907.db2.gz JIIFMMMVOUPQFE-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034534196 667060912 /nfs/dbraw/zinc/06/09/12/667060912.db2.gz JIIFMMMVOUPQFE-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)CC1 ZINC001034538505 667065055 /nfs/dbraw/zinc/06/50/55/667065055.db2.gz NTXYVLKLUQIODJ-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC)CCO2)CC1 ZINC001035614004 667392885 /nfs/dbraw/zinc/39/28/85/667392885.db2.gz MJHLBLCOYZRCMY-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001036095363 667424751 /nfs/dbraw/zinc/42/47/51/667424751.db2.gz LQFAAKYBHBOKNT-JSGCOSHPSA-N 2 1 304.394 0.810 20 30 DCEDMP C=CCOC(=O)[C@@H](N)CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000884227514 667504685 /nfs/dbraw/zinc/50/46/85/667504685.db2.gz RHDRWBWVXWIMCG-KBPBESRZSA-N 2 1 311.426 0.766 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946899552 667530653 /nfs/dbraw/zinc/53/06/53/667530653.db2.gz JKCULVVOUWABEX-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946899552 667530654 /nfs/dbraw/zinc/53/06/54/667530654.db2.gz JKCULVVOUWABEX-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946899552 667530655 /nfs/dbraw/zinc/53/06/55/667530655.db2.gz JKCULVVOUWABEX-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946899552 667530656 /nfs/dbraw/zinc/53/06/56/667530656.db2.gz JKCULVVOUWABEX-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP N#Cc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)o1 ZINC000872146537 667868113 /nfs/dbraw/zinc/86/81/13/667868113.db2.gz QBWQEWUYGSDRLE-LEWSCRJBSA-N 2 1 302.334 0.518 20 30 DCEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)o1 ZINC000872146537 667868117 /nfs/dbraw/zinc/86/81/17/667868117.db2.gz QBWQEWUYGSDRLE-LEWSCRJBSA-N 2 1 302.334 0.518 20 30 DCEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CCC[C@H](C)C1 ZINC000104168302 667963921 /nfs/dbraw/zinc/96/39/21/667963921.db2.gz LAAVBVAXLPVZSP-HNNXBMFYSA-N 2 1 311.474 0.216 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000104183665 667964212 /nfs/dbraw/zinc/96/42/12/667964212.db2.gz KVIRFJQXLNAQGT-ZDUSSCGKSA-N 2 1 304.398 0.409 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000890362303 668119191 /nfs/dbraw/zinc/11/91/91/668119191.db2.gz BMHNZCYJMQUOAS-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000890362303 668119196 /nfs/dbraw/zinc/11/91/96/668119196.db2.gz BMHNZCYJMQUOAS-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000890362303 668119199 /nfs/dbraw/zinc/11/91/99/668119199.db2.gz BMHNZCYJMQUOAS-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000890362303 668119202 /nfs/dbraw/zinc/11/92/02/668119202.db2.gz BMHNZCYJMQUOAS-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCCC#N)[C@@H](C)C1 ZINC000787307019 669366830 /nfs/dbraw/zinc/36/68/30/669366830.db2.gz ZXIKQGLVRNSFII-LSDHHAIUSA-N 2 1 310.442 0.743 20 30 DCEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCCC#N)[C@@H](C)C1 ZINC000787307019 669366836 /nfs/dbraw/zinc/36/68/36/669366836.db2.gz ZXIKQGLVRNSFII-LSDHHAIUSA-N 2 1 310.442 0.743 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)[C@H](C)C2)CC1 ZINC000948070766 670053421 /nfs/dbraw/zinc/05/34/21/670053421.db2.gz SFFMKLLTUPOQPZ-NVXWUHKLSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000950924197 670153025 /nfs/dbraw/zinc/15/30/25/670153025.db2.gz PVHDNNXASNGTOT-HQVVEAJESA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000950924197 670153028 /nfs/dbraw/zinc/15/30/28/670153028.db2.gz PVHDNNXASNGTOT-HQVVEAJESA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000950924196 670153643 /nfs/dbraw/zinc/15/36/43/670153643.db2.gz PVHDNNXASNGTOT-BFHRDPOASA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000950924196 670153646 /nfs/dbraw/zinc/15/36/46/670153646.db2.gz PVHDNNXASNGTOT-BFHRDPOASA-N 2 1 319.449 0.958 20 30 DCEDMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000854003273 670514443 /nfs/dbraw/zinc/51/44/43/670514443.db2.gz GYTNLROSUTTXEZ-XHSDSOJGSA-N 2 1 324.469 0.738 20 30 DCEDMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000854003273 670514445 /nfs/dbraw/zinc/51/44/45/670514445.db2.gz GYTNLROSUTTXEZ-XHSDSOJGSA-N 2 1 324.469 0.738 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991411 670745991 /nfs/dbraw/zinc/74/59/91/670745991.db2.gz CWVDWXJYRAGIRA-CQSZACIVSA-N 2 1 315.425 0.963 20 30 DCEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CCCC1(C)C ZINC000849039416 670753793 /nfs/dbraw/zinc/75/37/93/670753793.db2.gz XOCGFHSUKSUFSL-UHFFFAOYSA-N 2 1 311.474 0.358 20 30 DCEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C ZINC000852887661 671186316 /nfs/dbraw/zinc/18/63/16/671186316.db2.gz CQFFAMGLIZUTSR-AWEZNQCLSA-N 2 1 321.421 0.085 20 30 DCEDMP COC(=O)CC[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C ZINC000852887661 671186320 /nfs/dbraw/zinc/18/63/20/671186320.db2.gz CQFFAMGLIZUTSR-AWEZNQCLSA-N 2 1 321.421 0.085 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1cccnc1 ZINC000303888355 685208661 /nfs/dbraw/zinc/20/86/61/685208661.db2.gz LIPITEISDNQWHU-CQSZACIVSA-N 2 1 318.425 0.200 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038255979 694028106 /nfs/dbraw/zinc/02/81/06/694028106.db2.gz ACDGVLWRKBKJGA-CQSZACIVSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@H](C)OC)CC2)CC1 ZINC000957776264 687180899 /nfs/dbraw/zinc/18/08/99/687180899.db2.gz AUGLJTOENYGJTH-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958176442 687407498 /nfs/dbraw/zinc/40/74/98/687407498.db2.gz SYZJUAXLZBEQDW-CVEARBPZSA-N 2 1 321.465 0.847 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958345746 687567182 /nfs/dbraw/zinc/56/71/82/687567182.db2.gz RHIJWFKEVUTRGP-GJZGRUSLSA-N 2 1 321.421 0.940 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374028 687596891 /nfs/dbraw/zinc/59/68/91/687596891.db2.gz LGZKCWMCRJEREZ-CVEARBPZSA-N 2 1 309.454 0.703 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554947 687741470 /nfs/dbraw/zinc/74/14/70/687741470.db2.gz JFIIJSZAHRFVNJ-CVEARBPZSA-N 2 1 307.438 0.149 20 30 DCEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958590674 687778575 /nfs/dbraw/zinc/77/85/75/687778575.db2.gz BVKIEXMSDLKQCY-CHWSQXEVSA-N 2 1 313.829 0.244 20 30 DCEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958590674 687778577 /nfs/dbraw/zinc/77/85/77/687778577.db2.gz BVKIEXMSDLKQCY-CHWSQXEVSA-N 2 1 313.829 0.244 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590970 687779875 /nfs/dbraw/zinc/77/98/75/687779875.db2.gz DIQCANDZFZJGNR-CABCVRRESA-N 2 1 307.438 0.457 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C(C)C)C[C@@H]2O)CC1 ZINC000958722874 687875315 /nfs/dbraw/zinc/87/53/15/687875315.db2.gz ARMGPMYGEYUSMZ-CVEARBPZSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCC)C[C@H]2O)CC1 ZINC000958724576 687876276 /nfs/dbraw/zinc/87/62/76/687876276.db2.gz QHCZXVXILMLHGD-IAGOWNOFSA-N 2 1 321.465 0.541 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007992418 690785158 /nfs/dbraw/zinc/78/51/58/690785158.db2.gz WRYIOCRIGQETME-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007992418 690785163 /nfs/dbraw/zinc/78/51/63/690785163.db2.gz WRYIOCRIGQETME-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007992418 690785165 /nfs/dbraw/zinc/78/51/65/690785165.db2.gz WRYIOCRIGQETME-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007992418 690785169 /nfs/dbraw/zinc/78/51/69/690785169.db2.gz WRYIOCRIGQETME-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008827939 690931460 /nfs/dbraw/zinc/93/14/60/690931460.db2.gz MFXRVBQMALLQIC-MRXNPFEDSA-N 2 1 317.437 0.662 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008827939 690931464 /nfs/dbraw/zinc/93/14/64/690931464.db2.gz MFXRVBQMALLQIC-MRXNPFEDSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136132 694496670 /nfs/dbraw/zinc/49/66/70/694496670.db2.gz DNWLBDWKARTORO-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136132 694496674 /nfs/dbraw/zinc/49/66/74/694496674.db2.gz DNWLBDWKARTORO-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136132 694496677 /nfs/dbraw/zinc/49/66/77/694496677.db2.gz DNWLBDWKARTORO-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136132 694496682 /nfs/dbraw/zinc/49/66/82/694496682.db2.gz DNWLBDWKARTORO-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001018985858 693307654 /nfs/dbraw/zinc/30/76/54/693307654.db2.gz JCYGMGAJWSKODH-ULQDDVLXSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001018985858 693307658 /nfs/dbraw/zinc/30/76/58/693307658.db2.gz JCYGMGAJWSKODH-ULQDDVLXSA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019030928 693329223 /nfs/dbraw/zinc/32/92/23/693329223.db2.gz AGHDAIMARUQDHD-FRRDWIJNSA-N 2 1 301.818 0.649 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019030928 693329227 /nfs/dbraw/zinc/32/92/27/693329227.db2.gz AGHDAIMARUQDHD-FRRDWIJNSA-N 2 1 301.818 0.649 20 30 DCEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760441 694661158 /nfs/dbraw/zinc/66/11/58/694661158.db2.gz AXFUFTNHMLDLLJ-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760441 694661159 /nfs/dbraw/zinc/66/11/59/694661159.db2.gz AXFUFTNHMLDLLJ-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760441 694661160 /nfs/dbraw/zinc/66/11/60/694661160.db2.gz AXFUFTNHMLDLLJ-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760440 694661261 /nfs/dbraw/zinc/66/12/61/694661261.db2.gz AXFUFTNHMLDLLJ-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760440 694661262 /nfs/dbraw/zinc/66/12/62/694661262.db2.gz AXFUFTNHMLDLLJ-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760440 694661263 /nfs/dbraw/zinc/66/12/63/694661263.db2.gz AXFUFTNHMLDLLJ-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073605551 694750534 /nfs/dbraw/zinc/75/05/34/694750534.db2.gz NILMAHSFAAFNLN-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605551 694750535 /nfs/dbraw/zinc/75/05/35/694750535.db2.gz NILMAHSFAAFNLN-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605551 694750536 /nfs/dbraw/zinc/75/05/36/694750536.db2.gz NILMAHSFAAFNLN-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001073673003 694764271 /nfs/dbraw/zinc/76/42/71/694764271.db2.gz SEWOYPFMQHOYIO-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001073673003 694764272 /nfs/dbraw/zinc/76/42/72/694764272.db2.gz SEWOYPFMQHOYIO-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001073673003 694764273 /nfs/dbraw/zinc/76/42/73/694764273.db2.gz SEWOYPFMQHOYIO-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001073673003 694764275 /nfs/dbraw/zinc/76/42/75/694764275.db2.gz SEWOYPFMQHOYIO-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001570843823 1162631686 /nfs/dbraw/zinc/63/16/86/1162631686.db2.gz QHIRSHIWADVRCV-AWEZNQCLSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001571490182 1162780387 /nfs/dbraw/zinc/78/03/87/1162780387.db2.gz ANTULCNDMVIUDD-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001571595108 1162838073 /nfs/dbraw/zinc/83/80/73/1162838073.db2.gz QACKGDUNIIGPGL-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571664641 1162883719 /nfs/dbraw/zinc/88/37/19/1162883719.db2.gz PNOKVWGKCBNDGQ-FHERZECASA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001566724385 1160137529 /nfs/dbraw/zinc/13/75/29/1160137529.db2.gz HQLVFRBVSWCMCE-HOCLYGCPSA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001567849143 1160499788 /nfs/dbraw/zinc/49/97/88/1160499788.db2.gz SVDKQWURTJTLHR-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001570356475 1161579163 /nfs/dbraw/zinc/57/91/63/1161579163.db2.gz GJECCAVMEVAXPW-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001575962562 1164194605 /nfs/dbraw/zinc/19/46/05/1164194605.db2.gz UKIAHGSPLZBLHV-CABCVRRESA-N 2 1 309.458 0.540 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001580044003 1165484746 /nfs/dbraw/zinc/48/47/46/1165484746.db2.gz VEKFEZUBJVZVET-KFWWJZLASA-N 2 1 305.426 0.662 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001649457784 1173140546 /nfs/dbraw/zinc/14/05/46/1173140546.db2.gz KSHYRPYLPQQAJV-OAHLLOKOSA-N 2 1 318.421 0.847 20 30 DCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C1CCN(c2[nH+]ccn2C)CC1 ZINC001650167628 1173494222 /nfs/dbraw/zinc/49/42/22/1173494222.db2.gz LAFULSJXBUQHGV-OAHLLOKOSA-N 2 1 320.441 0.185 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001656201153 1173851473 /nfs/dbraw/zinc/85/14/73/1173851473.db2.gz QRERSSIHNHGMLZ-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001656368893 1173858896 /nfs/dbraw/zinc/85/88/96/1173858896.db2.gz BBTRUEGIFPCSQO-GVDBMIGSSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[N@@H+](CC)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001660545621 1174007334 /nfs/dbraw/zinc/00/73/34/1174007334.db2.gz CXUCVKLNBORTRQ-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001661995220 1174173985 /nfs/dbraw/zinc/17/39/85/1174173985.db2.gz DZACZSSBGGAYEL-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001662919408 1174251491 /nfs/dbraw/zinc/25/14/91/1174251491.db2.gz UOAVZKKDUCBQBG-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663498429 1174310575 /nfs/dbraw/zinc/31/05/75/1174310575.db2.gz SFZYNQSFAUHZMY-IAGOWNOFSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001664853192 1174465609 /nfs/dbraw/zinc/46/56/09/1174465609.db2.gz GXVVXCCRZCBBLZ-HZPDHXFCSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001664853192 1174465623 /nfs/dbraw/zinc/46/56/23/1174465623.db2.gz GXVVXCCRZCBBLZ-HZPDHXFCSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001664853192 1174465630 /nfs/dbraw/zinc/46/56/30/1174465630.db2.gz GXVVXCCRZCBBLZ-HZPDHXFCSA-N 2 1 307.438 0.368 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665001022 1174472824 /nfs/dbraw/zinc/47/28/24/1174472824.db2.gz INBZEFQPKMCOSK-RRFJBIMHSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665001022 1174472830 /nfs/dbraw/zinc/47/28/30/1174472830.db2.gz INBZEFQPKMCOSK-RRFJBIMHSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001666323652 1174598787 /nfs/dbraw/zinc/59/87/87/1174598787.db2.gz XBOFESXXQUBPLA-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001666323652 1174598794 /nfs/dbraw/zinc/59/87/94/1174598794.db2.gz XBOFESXXQUBPLA-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CCCC1 ZINC001671558590 1175018313 /nfs/dbraw/zinc/01/83/13/1175018313.db2.gz HQVPBTBEUJEEDH-KRWDZBQOSA-N 2 1 321.465 0.997 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001671570229 1175018567 /nfs/dbraw/zinc/01/85/67/1175018567.db2.gz SGLRXHOIWZRIKX-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001671570229 1175018572 /nfs/dbraw/zinc/01/85/72/1175018572.db2.gz SGLRXHOIWZRIKX-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001671667236 1175029035 /nfs/dbraw/zinc/02/90/35/1175029035.db2.gz RADSONZFEVOREP-YOEHRIQHSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001671667236 1175029044 /nfs/dbraw/zinc/02/90/44/1175029044.db2.gz RADSONZFEVOREP-YOEHRIQHSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001672034030 1175066469 /nfs/dbraw/zinc/06/64/69/1175066469.db2.gz AGUVQVVWXUVVDY-SFHVURJKSA-N 2 1 321.465 0.847 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001672217073 1175089646 /nfs/dbraw/zinc/08/96/46/1175089646.db2.gz XUYFKXZGNKKVFW-JKSUJKDBSA-N 2 1 318.421 0.668 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672529257 1175123508 /nfs/dbraw/zinc/12/35/08/1175123508.db2.gz BXYVZVXEMQVOHZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001673709570 1175226574 /nfs/dbraw/zinc/22/65/74/1175226574.db2.gz SNDKUIJFOJZLBJ-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001676267310 1175432625 /nfs/dbraw/zinc/43/26/25/1175432625.db2.gz BQYSMFJOHIWZSJ-RDJZCZTQSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001676584216 1175463846 /nfs/dbraw/zinc/46/38/46/1175463846.db2.gz QZWPLKLBEIOKHM-XJKSGUPXSA-N 2 1 315.433 0.842 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001676966413 1175507645 /nfs/dbraw/zinc/50/76/45/1175507645.db2.gz XVSKYZSUMGPNCS-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001689325432 1176825786 /nfs/dbraw/zinc/82/57/86/1176825786.db2.gz QLMAVCXJEUWXCE-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCN1CC[NH+](CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001690064193 1177158182 /nfs/dbraw/zinc/15/81/82/1177158182.db2.gz DUUIOLLXXZDVCS-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001690064193 1177158185 /nfs/dbraw/zinc/15/81/85/1177158185.db2.gz DUUIOLLXXZDVCS-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001690064193 1177158188 /nfs/dbraw/zinc/15/81/88/1177158188.db2.gz DUUIOLLXXZDVCS-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001690159100 1177182332 /nfs/dbraw/zinc/18/23/32/1177182332.db2.gz UFHHQWKXXOYSOC-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC#CCOC)C1 ZINC001690429455 1177241360 /nfs/dbraw/zinc/24/13/60/1177241360.db2.gz PPUFEGMNGOYZJW-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690806320 1177329158 /nfs/dbraw/zinc/32/91/58/1177329158.db2.gz ZPDQVQSTHCMXSZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690806320 1177329165 /nfs/dbraw/zinc/32/91/65/1177329165.db2.gz ZPDQVQSTHCMXSZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001690806320 1177329172 /nfs/dbraw/zinc/32/91/72/1177329172.db2.gz ZPDQVQSTHCMXSZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001691926609 1177385453 /nfs/dbraw/zinc/38/54/53/1177385453.db2.gz YZIXGPKBVVHJJX-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001692115851 1177419719 /nfs/dbraw/zinc/41/97/19/1177419719.db2.gz SEXALYDTCMBNBJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001692115851 1177419724 /nfs/dbraw/zinc/41/97/24/1177419724.db2.gz SEXALYDTCMBNBJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001692401774 1177516466 /nfs/dbraw/zinc/51/64/66/1177516466.db2.gz ASGZUTYMCPTFCQ-KBPBESRZSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001692401774 1177516476 /nfs/dbraw/zinc/51/64/76/1177516476.db2.gz ASGZUTYMCPTFCQ-KBPBESRZSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001692401774 1177516478 /nfs/dbraw/zinc/51/64/78/1177516478.db2.gz ASGZUTYMCPTFCQ-KBPBESRZSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001692401774 1177516483 /nfs/dbraw/zinc/51/64/83/1177516483.db2.gz ASGZUTYMCPTFCQ-KBPBESRZSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001698732222 1177623573 /nfs/dbraw/zinc/62/35/73/1177623573.db2.gz VWTCUDWMZNXWHA-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001699316714 1178061912 /nfs/dbraw/zinc/06/19/12/1178061912.db2.gz UWJYWFWCAGSZBA-JQBWTISXSA-N 2 1 319.449 0.915 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001699898496 1178349222 /nfs/dbraw/zinc/34/92/22/1178349222.db2.gz OFZOHPHAKSZHMA-MRXNPFEDSA-N 2 1 305.422 0.191 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001699908109 1178363691 /nfs/dbraw/zinc/36/36/91/1178363691.db2.gz VBBDRTRZTMTSEL-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001699908109 1178363704 /nfs/dbraw/zinc/36/37/04/1178363704.db2.gz VBBDRTRZTMTSEL-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001699908109 1178363713 /nfs/dbraw/zinc/36/37/13/1178363713.db2.gz VBBDRTRZTMTSEL-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001699908108 1178364807 /nfs/dbraw/zinc/36/48/07/1178364807.db2.gz VBBDRTRZTMTSEL-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001699908108 1178364815 /nfs/dbraw/zinc/36/48/15/1178364815.db2.gz VBBDRTRZTMTSEL-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001699908108 1178364823 /nfs/dbraw/zinc/36/48/23/1178364823.db2.gz VBBDRTRZTMTSEL-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@H+](CC)C2)CC1 ZINC001700005332 1178424204 /nfs/dbraw/zinc/42/42/04/1178424204.db2.gz KBKHFYWKOHARIX-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700244190 1178551547 /nfs/dbraw/zinc/55/15/47/1178551547.db2.gz QMMQTUXQNIOVJG-QGZVFWFLSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700336342 1178587078 /nfs/dbraw/zinc/58/70/78/1178587078.db2.gz SDJFJQRVMRYCHK-OAHLLOKOSA-N 2 1 307.438 0.436 20 30 DCEDMP C=CC[N@H+](CCNC(=O)[C@H]1CCc2nccn2C1)CCOC ZINC001701004240 1178869242 /nfs/dbraw/zinc/86/92/42/1178869242.db2.gz ZYJARUBDUUNGGF-AWEZNQCLSA-N 2 1 306.410 0.696 20 30 DCEDMP C=CCN(CCNC(=O)[C@H]1CCc2nccn2C1)CCOC ZINC001701004240 1178869256 /nfs/dbraw/zinc/86/92/56/1178869256.db2.gz ZYJARUBDUUNGGF-AWEZNQCLSA-N 2 1 306.410 0.696 20 30 DCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001707209304 1180435070 /nfs/dbraw/zinc/43/50/70/1180435070.db2.gz QPMNGJIZDFXLGF-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001707209304 1180435075 /nfs/dbraw/zinc/43/50/75/1180435075.db2.gz QPMNGJIZDFXLGF-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001707209304 1180435080 /nfs/dbraw/zinc/43/50/80/1180435080.db2.gz QPMNGJIZDFXLGF-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001713098886 1180681170 /nfs/dbraw/zinc/68/11/70/1180681170.db2.gz XPQIMFWQHIWHTQ-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001713490974 1180865487 /nfs/dbraw/zinc/86/54/87/1180865487.db2.gz WDNMFJBMUKHMKR-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001713490974 1180865488 /nfs/dbraw/zinc/86/54/88/1180865488.db2.gz WDNMFJBMUKHMKR-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001713490974 1180865494 /nfs/dbraw/zinc/86/54/94/1180865494.db2.gz WDNMFJBMUKHMKR-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001713490974 1180865499 /nfs/dbraw/zinc/86/54/99/1180865499.db2.gz WDNMFJBMUKHMKR-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001713531508 1180906228 /nfs/dbraw/zinc/90/62/28/1180906228.db2.gz BHCSPBTZLIDRIA-HNNXBMFYSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCOCC)C1 ZINC001713751184 1181047757 /nfs/dbraw/zinc/04/77/57/1181047757.db2.gz PRCHEZFGTFDDFR-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCOCC)C1 ZINC001713751184 1181047762 /nfs/dbraw/zinc/04/77/62/1181047762.db2.gz PRCHEZFGTFDDFR-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCOCC)C1 ZINC001713751184 1181047766 /nfs/dbraw/zinc/04/77/66/1181047766.db2.gz PRCHEZFGTFDDFR-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCOCC)C1 ZINC001713751184 1181047769 /nfs/dbraw/zinc/04/77/69/1181047769.db2.gz PRCHEZFGTFDDFR-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001713889113 1181131179 /nfs/dbraw/zinc/13/11/79/1181131179.db2.gz IOMKPAXKOIXNNC-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001713889113 1181131182 /nfs/dbraw/zinc/13/11/82/1181131182.db2.gz IOMKPAXKOIXNNC-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001713889113 1181131184 /nfs/dbraw/zinc/13/11/84/1181131184.db2.gz IOMKPAXKOIXNNC-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001713889113 1181131187 /nfs/dbraw/zinc/13/11/87/1181131187.db2.gz IOMKPAXKOIXNNC-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001714232640 1181288105 /nfs/dbraw/zinc/28/81/05/1181288105.db2.gz RLVNGJJTAXJRKC-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001714625853 1181447761 /nfs/dbraw/zinc/44/77/61/1181447761.db2.gz ULIABKFHUFQPDP-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714766547 1181533241 /nfs/dbraw/zinc/53/32/41/1181533241.db2.gz ZATFCJZRWHJNNC-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001714895054 1181591377 /nfs/dbraw/zinc/59/13/77/1181591377.db2.gz IRNAQLMWUPVVNH-MRXNPFEDSA-N 2 1 318.421 0.622 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001714895054 1181591380 /nfs/dbraw/zinc/59/13/80/1181591380.db2.gz IRNAQLMWUPVVNH-MRXNPFEDSA-N 2 1 318.421 0.622 20 30 DCEDMP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001714895053 1181591394 /nfs/dbraw/zinc/59/13/94/1181591394.db2.gz IRNAQLMWUPVVNH-INIZCTEOSA-N 2 1 318.421 0.622 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001714895053 1181591396 /nfs/dbraw/zinc/59/13/96/1181591396.db2.gz IRNAQLMWUPVVNH-INIZCTEOSA-N 2 1 318.421 0.622 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714913944 1181598270 /nfs/dbraw/zinc/59/82/70/1181598270.db2.gz ZNCNREMWOGJHEO-UHFFFAOYSA-N 2 1 324.469 0.411 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCCO)C1 ZINC001715145264 1181699946 /nfs/dbraw/zinc/69/99/46/1181699946.db2.gz SPSZFMIIZXYFBG-IRXDYDNUSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCCO)C1 ZINC001715145264 1181699950 /nfs/dbraw/zinc/69/99/50/1181699950.db2.gz SPSZFMIIZXYFBG-IRXDYDNUSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCO)C1 ZINC001715145265 1181700664 /nfs/dbraw/zinc/70/06/64/1181700664.db2.gz SPSZFMIIZXYFBG-SJORKVTESA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCO)C1 ZINC001715145265 1181700671 /nfs/dbraw/zinc/70/06/71/1181700671.db2.gz SPSZFMIIZXYFBG-SJORKVTESA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001715617596 1181902316 /nfs/dbraw/zinc/90/23/16/1181902316.db2.gz VJVSKRWOOPPNEV-CVEARBPZSA-N 2 1 303.406 0.379 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N[C@@H](C)CC ZINC001716399188 1182374343 /nfs/dbraw/zinc/37/43/43/1182374343.db2.gz ZLLLMJSNIBTAID-ZNMIVQPWSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N[C@@H](C)CC ZINC001716399188 1182374348 /nfs/dbraw/zinc/37/43/48/1182374348.db2.gz ZLLLMJSNIBTAID-ZNMIVQPWSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCOCC)CC1 ZINC001716671896 1182490213 /nfs/dbraw/zinc/49/02/13/1182490213.db2.gz VGPANTXNMANJEX-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CCOC)CC1 ZINC001716809012 1182532956 /nfs/dbraw/zinc/53/29/56/1182532956.db2.gz QIKFAAWDNLRURV-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001716924722 1182579648 /nfs/dbraw/zinc/57/96/48/1182579648.db2.gz HDZSNSFJSMHNKP-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001716924722 1182579652 /nfs/dbraw/zinc/57/96/52/1182579652.db2.gz HDZSNSFJSMHNKP-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001716924722 1182579655 /nfs/dbraw/zinc/57/96/55/1182579655.db2.gz HDZSNSFJSMHNKP-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001717025378 1182632278 /nfs/dbraw/zinc/63/22/78/1182632278.db2.gz GPPNTDUDBIXBEQ-QGZVFWFLSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001717025378 1182632281 /nfs/dbraw/zinc/63/22/81/1182632281.db2.gz GPPNTDUDBIXBEQ-QGZVFWFLSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001717025378 1182632284 /nfs/dbraw/zinc/63/22/84/1182632284.db2.gz GPPNTDUDBIXBEQ-QGZVFWFLSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001717025378 1182632287 /nfs/dbraw/zinc/63/22/87/1182632287.db2.gz GPPNTDUDBIXBEQ-QGZVFWFLSA-N 2 1 309.454 0.541 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001717195973 1182724172 /nfs/dbraw/zinc/72/41/72/1182724172.db2.gz SURGQQZPAZQFFP-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717195973 1182724178 /nfs/dbraw/zinc/72/41/78/1182724178.db2.gz SURGQQZPAZQFFP-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717195973 1182724183 /nfs/dbraw/zinc/72/41/83/1182724183.db2.gz SURGQQZPAZQFFP-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001717210483 1182731038 /nfs/dbraw/zinc/73/10/38/1182731038.db2.gz JUIUMURNWREHSK-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C#CC[N@H+](C)CCCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001717212234 1182734099 /nfs/dbraw/zinc/73/40/99/1182734099.db2.gz ACLHKAASFTYHGI-UHFFFAOYSA-N 2 1 305.426 0.472 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001717260358 1182755357 /nfs/dbraw/zinc/75/53/57/1182755357.db2.gz WRQFBQUYBJDUQS-ROUUACIJSA-N 2 1 321.465 0.992 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001724428330 1184439462 /nfs/dbraw/zinc/43/94/62/1184439462.db2.gz VHEIIZLVIJVREE-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001724622300 1184478042 /nfs/dbraw/zinc/47/80/42/1184478042.db2.gz HHXGXDAIVRVINM-IYBDPMFKSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001724622300 1184478046 /nfs/dbraw/zinc/47/80/46/1184478046.db2.gz HHXGXDAIVRVINM-IYBDPMFKSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001724622300 1184478051 /nfs/dbraw/zinc/47/80/51/1184478051.db2.gz HHXGXDAIVRVINM-IYBDPMFKSA-N 2 1 319.449 0.511 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001724642276 1184492923 /nfs/dbraw/zinc/49/29/23/1184492923.db2.gz ROBJMDFPYQXKAT-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#CCOC)CC1 ZINC001724841349 1184588455 /nfs/dbraw/zinc/58/84/55/1184588455.db2.gz DKVSSZCJLIMXSJ-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC#CCOC)CC1 ZINC001724841349 1184588463 /nfs/dbraw/zinc/58/84/63/1184588463.db2.gz DKVSSZCJLIMXSJ-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC001724841349 1184588471 /nfs/dbraw/zinc/58/84/71/1184588471.db2.gz DKVSSZCJLIMXSJ-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001724970843 1184637039 /nfs/dbraw/zinc/63/70/39/1184637039.db2.gz HTGQOYDDIZFQHX-UHFFFAOYSA-N 2 1 322.497 0.979 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001724970843 1184637045 /nfs/dbraw/zinc/63/70/45/1184637045.db2.gz HTGQOYDDIZFQHX-UHFFFAOYSA-N 2 1 322.497 0.979 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(C)C)CC1 ZINC001724981414 1184642789 /nfs/dbraw/zinc/64/27/89/1184642789.db2.gz LVBXQEMTZFDDBW-INIZCTEOSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(C)C)CC1 ZINC001724981414 1184642794 /nfs/dbraw/zinc/64/27/94/1184642794.db2.gz LVBXQEMTZFDDBW-INIZCTEOSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001725257591 1184740826 /nfs/dbraw/zinc/74/08/26/1184740826.db2.gz HEPHJPMDSMOHTB-AWEZNQCLSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001725260571 1184742230 /nfs/dbraw/zinc/74/22/30/1184742230.db2.gz RNUUADGMOQIWCU-CHWSQXEVSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001725487305 1184843842 /nfs/dbraw/zinc/84/38/42/1184843842.db2.gz BSOLUOSDEJOFQG-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725529062 1184861723 /nfs/dbraw/zinc/86/17/23/1184861723.db2.gz BGJVXCVIICPXCJ-CVEARBPZSA-N 2 1 321.465 0.731 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725722087 1184973258 /nfs/dbraw/zinc/97/32/58/1184973258.db2.gz QQSVTPXGVCHCFF-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725722087 1184973263 /nfs/dbraw/zinc/97/32/63/1184973263.db2.gz QQSVTPXGVCHCFF-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001725722087 1184973268 /nfs/dbraw/zinc/97/32/68/1184973268.db2.gz QQSVTPXGVCHCFF-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@H](C)COC)CC1 ZINC001731286308 1185243361 /nfs/dbraw/zinc/24/33/61/1185243361.db2.gz JTZXAKTYXZEHIZ-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001731701659 1185449689 /nfs/dbraw/zinc/44/96/89/1185449689.db2.gz IPIMEGWOCIFIRH-HOTGVXAUSA-N 2 1 318.421 0.858 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@H]2CCCCO2)CC1 ZINC001731796301 1185492097 /nfs/dbraw/zinc/49/20/97/1185492097.db2.gz ZTGYUNOUPJKQME-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001731952326 1185603564 /nfs/dbraw/zinc/60/35/64/1185603564.db2.gz MWPOPRPLSJTREN-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001732060004 1185652164 /nfs/dbraw/zinc/65/21/64/1185652164.db2.gz ABJKZJFBYJWUDC-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001732060214 1185652277 /nfs/dbraw/zinc/65/22/77/1185652277.db2.gz VUNDILPLZZAKFM-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001732173669 1185719838 /nfs/dbraw/zinc/71/98/38/1185719838.db2.gz PQUPBBFPINYKDS-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001732173669 1185719839 /nfs/dbraw/zinc/71/98/39/1185719839.db2.gz PQUPBBFPINYKDS-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001732173669 1185719843 /nfs/dbraw/zinc/71/98/43/1185719843.db2.gz PQUPBBFPINYKDS-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001732173669 1185719847 /nfs/dbraw/zinc/71/98/47/1185719847.db2.gz PQUPBBFPINYKDS-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001732288513 1185757758 /nfs/dbraw/zinc/75/77/58/1185757758.db2.gz NAKXALRTPOCFNG-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001732288513 1185757764 /nfs/dbraw/zinc/75/77/64/1185757764.db2.gz NAKXALRTPOCFNG-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](C)OC ZINC001732327754 1185766448 /nfs/dbraw/zinc/76/64/48/1185766448.db2.gz WHBHDAPCFGWHKQ-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](C)OC ZINC001732327754 1185766454 /nfs/dbraw/zinc/76/64/54/1185766454.db2.gz WHBHDAPCFGWHKQ-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001733068745 1186126579 /nfs/dbraw/zinc/12/65/79/1186126579.db2.gz WJUFTDGLOAQIIQ-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001733068745 1186126583 /nfs/dbraw/zinc/12/65/83/1186126583.db2.gz WJUFTDGLOAQIIQ-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC001733372065 1186245079 /nfs/dbraw/zinc/24/50/79/1186245079.db2.gz YYJQSDRIYUZVOW-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001733564631 1186333850 /nfs/dbraw/zinc/33/38/50/1186333850.db2.gz HYVXSLMIQSTPMX-ULQDDVLXSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001733564631 1186333859 /nfs/dbraw/zinc/33/38/59/1186333859.db2.gz HYVXSLMIQSTPMX-ULQDDVLXSA-N 2 1 321.465 0.853 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001733857824 1186477594 /nfs/dbraw/zinc/47/75/94/1186477594.db2.gz RBDSMHBODTVVRB-HIFRSBDPSA-N 2 1 304.394 0.278 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001733905814 1186493795 /nfs/dbraw/zinc/49/37/95/1186493795.db2.gz KKPKZLRQZQOAPT-SOUVJXGZSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001734302791 1186610222 /nfs/dbraw/zinc/61/02/22/1186610222.db2.gz VRQYTFCHWZLZOE-INIZCTEOSA-N 2 1 318.421 0.668 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001753331888 1186979742 /nfs/dbraw/zinc/97/97/42/1186979742.db2.gz CNDVAMMUFOHFEM-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001752266129 1188409458 /nfs/dbraw/zinc/40/94/58/1188409458.db2.gz OJBWSGBTXMLRKB-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001752266129 1188409460 /nfs/dbraw/zinc/40/94/60/1188409460.db2.gz OJBWSGBTXMLRKB-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001752997825 1188475184 /nfs/dbraw/zinc/47/51/84/1188475184.db2.gz YEMVYAKPPBERFT-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC#CCOC ZINC001753082310 1188493771 /nfs/dbraw/zinc/49/37/71/1188493771.db2.gz FYBFEPCNSAYMOQ-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC#CCOC ZINC001753082310 1188493772 /nfs/dbraw/zinc/49/37/72/1188493772.db2.gz FYBFEPCNSAYMOQ-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC#CCOC ZINC001753082310 1188493774 /nfs/dbraw/zinc/49/37/74/1188493774.db2.gz FYBFEPCNSAYMOQ-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC#CCOC ZINC001753082310 1188493776 /nfs/dbraw/zinc/49/37/76/1188493776.db2.gz FYBFEPCNSAYMOQ-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001753163372 1188518625 /nfs/dbraw/zinc/51/86/25/1188518625.db2.gz XPGFDJXYKXUSPP-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001753163372 1188518627 /nfs/dbraw/zinc/51/86/27/1188518627.db2.gz XPGFDJXYKXUSPP-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001753163372 1188518629 /nfs/dbraw/zinc/51/86/29/1188518629.db2.gz XPGFDJXYKXUSPP-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753163372 1188518630 /nfs/dbraw/zinc/51/86/30/1188518630.db2.gz XPGFDJXYKXUSPP-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001753527722 1188614728 /nfs/dbraw/zinc/61/47/28/1188614728.db2.gz PUGLTHOVNDODRX-CRAIPNDOSA-N 2 1 321.465 0.853 20 30 DCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001754017359 1188711866 /nfs/dbraw/zinc/71/18/66/1188711866.db2.gz BLUQVVXJHRBEJO-RDJZCZTQSA-N 2 1 307.438 0.607 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001754024928 1188713879 /nfs/dbraw/zinc/71/38/79/1188713879.db2.gz ADZQUEYCAJOLIE-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001754309108 1188816786 /nfs/dbraw/zinc/81/67/86/1188816786.db2.gz HYDTVZAJDOYYTC-ZBFHGGJFSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001754631721 1188893668 /nfs/dbraw/zinc/89/36/68/1188893668.db2.gz ZVBICJFKXHHSEF-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001755837371 1189231702 /nfs/dbraw/zinc/23/17/02/1189231702.db2.gz PBOQHSLZIQESBK-HNNXBMFYSA-N 2 1 320.437 0.962 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553110 751440497 /nfs/dbraw/zinc/44/04/97/751440497.db2.gz BNBNZURSPGWGPO-ARFHVFGLSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553110 751440500 /nfs/dbraw/zinc/44/05/00/751440500.db2.gz BNBNZURSPGWGPO-ARFHVFGLSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553110 751440503 /nfs/dbraw/zinc/44/05/03/751440503.db2.gz BNBNZURSPGWGPO-ARFHVFGLSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553110 751440506 /nfs/dbraw/zinc/44/05/06/751440506.db2.gz BNBNZURSPGWGPO-ARFHVFGLSA-N 2 1 307.438 0.293 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001125221165 751845062 /nfs/dbraw/zinc/84/50/62/751845062.db2.gz NRQRKCBNXLUESL-OAHLLOKOSA-N 2 1 302.378 0.095 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001125221165 751845071 /nfs/dbraw/zinc/84/50/71/751845071.db2.gz NRQRKCBNXLUESL-OAHLLOKOSA-N 2 1 302.378 0.095 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083214886 747230690 /nfs/dbraw/zinc/23/06/90/747230690.db2.gz VQHSXXCHPQWTBL-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167626551 747436645 /nfs/dbraw/zinc/43/66/45/747436645.db2.gz DCLUGJTXURICJP-INIZCTEOSA-N 2 1 309.454 0.995 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083275276 747680145 /nfs/dbraw/zinc/68/01/45/747680145.db2.gz WLAXLVCOJLKXQT-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275276 747680148 /nfs/dbraw/zinc/68/01/48/747680148.db2.gz WLAXLVCOJLKXQT-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275276 747680153 /nfs/dbraw/zinc/68/01/53/747680153.db2.gz WLAXLVCOJLKXQT-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043391192 752213827 /nfs/dbraw/zinc/21/38/27/752213827.db2.gz JUVRRIDHZRGAOB-GNHJJJEISA-N 2 1 305.422 0.568 20 30 DCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043391192 752213831 /nfs/dbraw/zinc/21/38/31/752213831.db2.gz JUVRRIDHZRGAOB-GNHJJJEISA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104796161 747933303 /nfs/dbraw/zinc/93/33/03/747933303.db2.gz LOEAGQMROGDXCJ-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010451 748003174 /nfs/dbraw/zinc/00/31/74/748003174.db2.gz MDMLMBHCHGMRQO-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042264 748010832 /nfs/dbraw/zinc/01/08/32/748010832.db2.gz UJIOCVVEEVZCOV-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042264 748010845 /nfs/dbraw/zinc/01/08/45/748010845.db2.gz UJIOCVVEEVZCOV-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012200 749190420 /nfs/dbraw/zinc/19/04/20/749190420.db2.gz XPAFNQIQNBXIAU-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012200 749190422 /nfs/dbraw/zinc/19/04/22/749190422.db2.gz XPAFNQIQNBXIAU-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012200 749190425 /nfs/dbraw/zinc/19/04/25/749190425.db2.gz XPAFNQIQNBXIAU-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012200 749190427 /nfs/dbraw/zinc/19/04/27/749190427.db2.gz XPAFNQIQNBXIAU-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080952 749227410 /nfs/dbraw/zinc/22/74/10/749227410.db2.gz UNXOCLMUNMLTQU-IKGGRYGDSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080952 749227414 /nfs/dbraw/zinc/22/74/14/749227414.db2.gz UNXOCLMUNMLTQU-IKGGRYGDSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080952 749227418 /nfs/dbraw/zinc/22/74/18/749227418.db2.gz UNXOCLMUNMLTQU-IKGGRYGDSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080952 749227422 /nfs/dbraw/zinc/22/74/22/749227422.db2.gz UNXOCLMUNMLTQU-IKGGRYGDSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153732 749260919 /nfs/dbraw/zinc/26/09/19/749260919.db2.gz IFRGWRNCOOOBOW-CVEARBPZSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208065 749289870 /nfs/dbraw/zinc/28/98/70/749289870.db2.gz JVIKLLCUWVHSAT-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208065 749289876 /nfs/dbraw/zinc/28/98/76/749289876.db2.gz JVIKLLCUWVHSAT-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208065 749289883 /nfs/dbraw/zinc/28/98/83/749289883.db2.gz JVIKLLCUWVHSAT-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208065 749289889 /nfs/dbraw/zinc/28/98/89/749289889.db2.gz JVIKLLCUWVHSAT-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208065 749289895 /nfs/dbraw/zinc/28/98/95/749289895.db2.gz JVIKLLCUWVHSAT-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168136995 749473260 /nfs/dbraw/zinc/47/32/60/749473260.db2.gz KNHLXNTYYGVXIM-OAHLLOKOSA-N 2 1 307.438 0.464 20 30 DCEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001112867884 761984095 /nfs/dbraw/zinc/98/40/95/761984095.db2.gz CKKFLLXQOXTOKU-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120449965 750648583 /nfs/dbraw/zinc/64/85/83/750648583.db2.gz QSLYPAVWFCWZRO-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)OC)[C@@H]2C)CC1 ZINC001089059334 750781952 /nfs/dbraw/zinc/78/19/52/750781952.db2.gz IOGBOZAGTGLXID-UXLLHSPISA-N 2 1 321.465 0.946 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245521 751062280 /nfs/dbraw/zinc/06/22/80/751062280.db2.gz CRDYGUPTKGDBBQ-OAGGEKHMSA-N 2 1 319.453 0.683 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046037880 753440697 /nfs/dbraw/zinc/44/06/97/753440697.db2.gz BDINGJIJVOGLMT-DLBZAZTESA-N 2 1 320.481 0.568 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062110 753456253 /nfs/dbraw/zinc/45/62/53/753456253.db2.gz BDINGJIJVOGLMT-SJORKVTESA-N 2 1 320.481 0.568 20 30 DCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500712 753752552 /nfs/dbraw/zinc/75/25/52/753752552.db2.gz DAJOZJSIYNNGNZ-BYLPVYNFSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046500712 753752555 /nfs/dbraw/zinc/75/25/55/753752555.db2.gz DAJOZJSIYNNGNZ-BYLPVYNFSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046500712 753752559 /nfs/dbraw/zinc/75/25/59/753752559.db2.gz DAJOZJSIYNNGNZ-BYLPVYNFSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380882 754228036 /nfs/dbraw/zinc/22/80/36/754228036.db2.gz ZKFSQKJAOPMCSC-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380882 754228041 /nfs/dbraw/zinc/22/80/41/754228041.db2.gz ZKFSQKJAOPMCSC-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380882 754228049 /nfs/dbraw/zinc/22/80/49/754228049.db2.gz ZKFSQKJAOPMCSC-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424405 754269611 /nfs/dbraw/zinc/26/96/11/754269611.db2.gz KBRVLAHMGZYFTP-GJZGRUSLSA-N 2 1 307.438 0.552 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424405 754269613 /nfs/dbraw/zinc/26/96/13/754269613.db2.gz KBRVLAHMGZYFTP-GJZGRUSLSA-N 2 1 307.438 0.552 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1=O ZINC001128782640 754278843 /nfs/dbraw/zinc/27/88/43/754278843.db2.gz ADIWEILVURAKNJ-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353256 755655647 /nfs/dbraw/zinc/65/56/47/755655647.db2.gz ABSHPIGZWDMRRA-CVEARBPZSA-N 2 1 319.449 0.437 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161092 756118160 /nfs/dbraw/zinc/11/81/60/756118160.db2.gz MCYQJGVAHRJBMZ-MYPHYYIGSA-N 2 1 317.433 0.309 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080161092 756118164 /nfs/dbraw/zinc/11/81/64/756118164.db2.gz MCYQJGVAHRJBMZ-MYPHYYIGSA-N 2 1 317.433 0.309 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080161092 756118168 /nfs/dbraw/zinc/11/81/68/756118168.db2.gz MCYQJGVAHRJBMZ-MYPHYYIGSA-N 2 1 317.433 0.309 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803111 756213528 /nfs/dbraw/zinc/21/35/28/756213528.db2.gz KRMFSNTTWIUDEE-HOTGVXAUSA-N 2 1 319.449 0.864 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392452 757356713 /nfs/dbraw/zinc/35/67/13/757356713.db2.gz SORKAECRWLZTBF-HUUCEWRRSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083911 757484455 /nfs/dbraw/zinc/48/44/55/757484455.db2.gz QSIGPAMGULQTFK-OWCLPIDISA-N 2 1 305.422 0.426 20 30 DCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083911 757484457 /nfs/dbraw/zinc/48/44/57/757484457.db2.gz QSIGPAMGULQTFK-OWCLPIDISA-N 2 1 305.422 0.426 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001050207512 757488981 /nfs/dbraw/zinc/48/89/81/757488981.db2.gz UAOSHNPFUHBSKP-ZWKOTPCHSA-N 2 1 313.445 0.888 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001084844094 758078990 /nfs/dbraw/zinc/07/89/90/758078990.db2.gz GGIDMOAGNHJPHE-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001084844094 758079002 /nfs/dbraw/zinc/07/90/02/758079002.db2.gz GGIDMOAGNHJPHE-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844094 758079007 /nfs/dbraw/zinc/07/90/07/758079007.db2.gz GGIDMOAGNHJPHE-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844094 758079017 /nfs/dbraw/zinc/07/90/17/758079017.db2.gz GGIDMOAGNHJPHE-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001098369080 758794311 /nfs/dbraw/zinc/79/43/11/758794311.db2.gz RDBQQHBZBLLZDY-KRWDZBQOSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001098369080 758794316 /nfs/dbraw/zinc/79/43/16/758794316.db2.gz RDBQQHBZBLLZDY-KRWDZBQOSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001098369080 758794322 /nfs/dbraw/zinc/79/43/22/758794322.db2.gz RDBQQHBZBLLZDY-KRWDZBQOSA-N 2 1 321.465 0.778 20 30 DCEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@@H+]1C ZINC001052029798 759128418 /nfs/dbraw/zinc/12/84/18/759128418.db2.gz BJVHVHIATUICAT-BZUAXINKSA-N 2 1 319.453 0.069 20 30 DCEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001052029798 759128421 /nfs/dbraw/zinc/12/84/21/759128421.db2.gz BJVHVHIATUICAT-BZUAXINKSA-N 2 1 319.453 0.069 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036178 759131600 /nfs/dbraw/zinc/13/16/00/759131600.db2.gz HDLVFJONAHKWJO-DLBZAZTESA-N 2 1 320.481 0.731 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108928 759185712 /nfs/dbraw/zinc/18/57/12/759185712.db2.gz SOAVQEACFZEWNC-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108928 759185715 /nfs/dbraw/zinc/18/57/15/759185715.db2.gz SOAVQEACFZEWNC-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108928 759185718 /nfs/dbraw/zinc/18/57/18/759185718.db2.gz SOAVQEACFZEWNC-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108928 759185720 /nfs/dbraw/zinc/18/57/20/759185720.db2.gz SOAVQEACFZEWNC-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731920 759245805 /nfs/dbraw/zinc/24/58/05/759245805.db2.gz NIJPEQOKZAEPTJ-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731920 759245811 /nfs/dbraw/zinc/24/58/11/759245811.db2.gz NIJPEQOKZAEPTJ-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731920 759245816 /nfs/dbraw/zinc/24/58/16/759245816.db2.gz NIJPEQOKZAEPTJ-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731920 759245823 /nfs/dbraw/zinc/24/58/23/759245823.db2.gz NIJPEQOKZAEPTJ-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731935 759247182 /nfs/dbraw/zinc/24/71/82/759247182.db2.gz NXVWXKXWBYPALI-DGNOSDGRSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731935 759247188 /nfs/dbraw/zinc/24/71/88/759247188.db2.gz NXVWXKXWBYPALI-DGNOSDGRSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731935 759247192 /nfs/dbraw/zinc/24/71/92/759247192.db2.gz NXVWXKXWBYPALI-DGNOSDGRSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731935 759247196 /nfs/dbraw/zinc/24/71/96/759247196.db2.gz NXVWXKXWBYPALI-DGNOSDGRSA-N 2 1 305.422 0.568 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052571525 759501180 /nfs/dbraw/zinc/50/11/80/759501180.db2.gz GWJAPHDUADYYRS-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052571525 759501188 /nfs/dbraw/zinc/50/11/88/759501188.db2.gz GWJAPHDUADYYRS-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052571525 759501194 /nfs/dbraw/zinc/50/11/94/759501194.db2.gz GWJAPHDUADYYRS-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155313725 759739706 /nfs/dbraw/zinc/73/97/06/759739706.db2.gz FYQOTWPQJRSDDA-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169799643 760847897 /nfs/dbraw/zinc/84/78/97/760847897.db2.gz WPNQRUGLUOTVKH-CABCVRRESA-N 2 1 324.469 0.647 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127512 761158940 /nfs/dbraw/zinc/15/89/40/761158940.db2.gz WDWYPQXSUMOXEP-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428149 761411919 /nfs/dbraw/zinc/41/19/19/761411919.db2.gz PHZFYEYSSVPLDZ-QZWWFDLISA-N 2 1 321.465 0.944 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428149 761411921 /nfs/dbraw/zinc/41/19/21/761411921.db2.gz PHZFYEYSSVPLDZ-QZWWFDLISA-N 2 1 321.465 0.944 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090435818 761671570 /nfs/dbraw/zinc/67/15/70/761671570.db2.gz KQEPIEASQULOHT-GJZGRUSLSA-N 2 1 300.362 0.685 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114263319 762908176 /nfs/dbraw/zinc/90/81/76/762908176.db2.gz SWHYOANBSIDEEV-TWMKSMIVSA-N 2 1 319.449 0.555 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001114263319 762908180 /nfs/dbraw/zinc/90/81/80/762908180.db2.gz SWHYOANBSIDEEV-TWMKSMIVSA-N 2 1 319.449 0.555 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001114263319 762908186 /nfs/dbraw/zinc/90/81/86/762908186.db2.gz SWHYOANBSIDEEV-TWMKSMIVSA-N 2 1 319.449 0.555 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129842528 763022806 /nfs/dbraw/zinc/02/28/06/763022806.db2.gz ZKWCTKYUVCIUOB-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974816 763180237 /nfs/dbraw/zinc/18/02/37/763180237.db2.gz VZTJOVXKQLMLRI-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141291 763346712 /nfs/dbraw/zinc/34/67/12/763346712.db2.gz PACVMTAPTWNQQU-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141291 763346721 /nfs/dbraw/zinc/34/67/21/763346721.db2.gz PACVMTAPTWNQQU-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100401689 763551394 /nfs/dbraw/zinc/55/13/94/763551394.db2.gz HWEAEDDWTUYSKE-UYSNPLJNSA-N 2 1 319.453 0.874 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131682656 763935140 /nfs/dbraw/zinc/93/51/40/763935140.db2.gz RHLQAZTVWURTHF-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098479012 764436732 /nfs/dbraw/zinc/43/67/32/764436732.db2.gz OBZFHFOLKJVILF-GDBMZVCRSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479012 764436736 /nfs/dbraw/zinc/43/67/36/764436736.db2.gz OBZFHFOLKJVILF-GDBMZVCRSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479012 764436740 /nfs/dbraw/zinc/43/67/40/764436740.db2.gz OBZFHFOLKJVILF-GDBMZVCRSA-N 2 1 307.438 0.103 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467003 764653839 /nfs/dbraw/zinc/65/38/39/764653839.db2.gz CLPBNYNWUPWMBE-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467003 764653841 /nfs/dbraw/zinc/65/38/41/764653841.db2.gz CLPBNYNWUPWMBE-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581090 764711140 /nfs/dbraw/zinc/71/11/40/764711140.db2.gz YXUZZLUGNSRBDI-OWCLPIDISA-N 2 1 309.454 0.825 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584072 765088964 /nfs/dbraw/zinc/08/89/64/765088964.db2.gz ABEBBPRRAZIFSO-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133867939 765194034 /nfs/dbraw/zinc/19/40/34/765194034.db2.gz YMBYYRMQQUBAOF-LSDHHAIUSA-N 2 1 322.453 0.091 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133870104 765197570 /nfs/dbraw/zinc/19/75/70/765197570.db2.gz PWGMXLANDDAUDK-CQSZACIVSA-N 2 1 304.394 0.110 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523931 768329093 /nfs/dbraw/zinc/32/90/93/768329093.db2.gz NPSOXECWDTWFBC-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523931 768329101 /nfs/dbraw/zinc/32/91/01/768329101.db2.gz NPSOXECWDTWFBC-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523931 768329107 /nfs/dbraw/zinc/32/91/07/768329107.db2.gz NPSOXECWDTWFBC-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523931 768329112 /nfs/dbraw/zinc/32/91/12/768329112.db2.gz NPSOXECWDTWFBC-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976213 766197483 /nfs/dbraw/zinc/19/74/83/766197483.db2.gz HWSSNVSISJADCX-ZIAGYGMSSA-N 2 1 312.458 0.503 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090672932 766455710 /nfs/dbraw/zinc/45/57/10/766455710.db2.gz HJRRHSUQXMMERJ-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090732670 766530096 /nfs/dbraw/zinc/53/00/96/766530096.db2.gz CNJMAQNLEYNXJP-GOEBONIOSA-N 2 1 318.421 0.889 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090732670 766530099 /nfs/dbraw/zinc/53/00/99/766530099.db2.gz CNJMAQNLEYNXJP-GOEBONIOSA-N 2 1 318.421 0.889 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333745 767425823 /nfs/dbraw/zinc/42/58/23/767425823.db2.gz QRIMCWMVGOOLMV-QWHCGFSZSA-N 2 1 321.425 0.367 20 30 DCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099880058 767482384 /nfs/dbraw/zinc/48/23/84/767482384.db2.gz URGORNUFDKUORS-HZPDHXFCSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099880058 767482391 /nfs/dbraw/zinc/48/23/91/767482391.db2.gz URGORNUFDKUORS-HZPDHXFCSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099880058 767482396 /nfs/dbraw/zinc/48/23/96/767482396.db2.gz URGORNUFDKUORS-HZPDHXFCSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147212006 767675488 /nfs/dbraw/zinc/67/54/88/767675488.db2.gz LHVHQIYLXJFBBH-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147212006 767675491 /nfs/dbraw/zinc/67/54/91/767675491.db2.gz LHVHQIYLXJFBBH-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147212006 767675494 /nfs/dbraw/zinc/67/54/94/767675494.db2.gz LHVHQIYLXJFBBH-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291138 769059415 /nfs/dbraw/zinc/05/94/15/769059415.db2.gz JMIVTHKOKPAWIS-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150496575 769111133 /nfs/dbraw/zinc/11/11/33/769111133.db2.gz DEWOWUDZNIZSPW-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150496575 769111137 /nfs/dbraw/zinc/11/11/37/769111137.db2.gz DEWOWUDZNIZSPW-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606960 769137934 /nfs/dbraw/zinc/13/79/34/769137934.db2.gz MRHGXRJGLIUWII-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1=O ZINC001152457408 769563586 /nfs/dbraw/zinc/56/35/86/769563586.db2.gz DEYGLUAZOXOZSA-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150195124 769637695 /nfs/dbraw/zinc/63/76/95/769637695.db2.gz YGAICPRBAHDVQJ-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCOCC ZINC001153867600 769974855 /nfs/dbraw/zinc/97/48/55/769974855.db2.gz BBMRAAYSGUHRKZ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCOCC ZINC001153867600 769974858 /nfs/dbraw/zinc/97/48/58/769974858.db2.gz BBMRAAYSGUHRKZ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCOCC ZINC001153867600 769974861 /nfs/dbraw/zinc/97/48/61/769974861.db2.gz BBMRAAYSGUHRKZ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCOCC ZINC001153867600 769974863 /nfs/dbraw/zinc/97/48/63/769974863.db2.gz BBMRAAYSGUHRKZ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033930 770051944 /nfs/dbraw/zinc/05/19/44/770051944.db2.gz QKKDBEZPISYRFL-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033930 770051955 /nfs/dbraw/zinc/05/19/55/770051955.db2.gz QKKDBEZPISYRFL-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033930 770051970 /nfs/dbraw/zinc/05/19/70/770051970.db2.gz QKKDBEZPISYRFL-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176686144 770154060 /nfs/dbraw/zinc/15/40/60/770154060.db2.gz RHDQQFUVQWYSNK-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176686144 770154063 /nfs/dbraw/zinc/15/40/63/770154063.db2.gz RHDQQFUVQWYSNK-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045904 770599909 /nfs/dbraw/zinc/59/99/09/770599909.db2.gz ZDRQWXKYVRPIHW-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156908407 770962456 /nfs/dbraw/zinc/96/24/56/770962456.db2.gz WYLQTZSAZHIWDF-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179935327 771036711 /nfs/dbraw/zinc/03/67/11/771036711.db2.gz BJLYHVYEKJSMJB-ZNMIVQPWSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001183361478 771639298 /nfs/dbraw/zinc/63/92/98/771639298.db2.gz WLKVJHILRYOXOD-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001183361478 771639303 /nfs/dbraw/zinc/63/93/03/771639303.db2.gz WLKVJHILRYOXOD-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158485969 771781777 /nfs/dbraw/zinc/78/17/77/771781777.db2.gz CMBHLEXWDZHICN-OLZOCXBDSA-N 2 1 301.818 0.698 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185200627 771878743 /nfs/dbraw/zinc/87/87/43/771878743.db2.gz ZTUJHTTXPJICRF-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185699037 771944741 /nfs/dbraw/zinc/94/47/41/771944741.db2.gz RDISJSMPSOVQMW-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159907556 771974588 /nfs/dbraw/zinc/97/45/88/771974588.db2.gz ADKZLARBVDQJIB-HNNXBMFYSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccnn1C ZINC001160198243 772008559 /nfs/dbraw/zinc/00/85/59/772008559.db2.gz YFILROUSGOBRNH-HNNXBMFYSA-N 2 1 303.410 0.114 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccnn1C ZINC001160198243 772008562 /nfs/dbraw/zinc/00/85/62/772008562.db2.gz YFILROUSGOBRNH-HNNXBMFYSA-N 2 1 303.410 0.114 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C[N@H+](C)CCC)C2)C1=O ZINC001187322637 772165697 /nfs/dbraw/zinc/16/56/97/772165697.db2.gz PPNOQBVUHRQMTM-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161088920 772166392 /nfs/dbraw/zinc/16/63/92/772166392.db2.gz DUPMJFQGFQYLPB-UHFFFAOYSA-N 2 1 322.453 0.379 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161088920 772166394 /nfs/dbraw/zinc/16/63/94/772166394.db2.gz DUPMJFQGFQYLPB-UHFFFAOYSA-N 2 1 322.453 0.379 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187307121 772172514 /nfs/dbraw/zinc/17/25/14/772172514.db2.gz VLZJRMMKDDTIED-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958229 772252715 /nfs/dbraw/zinc/25/27/15/772252715.db2.gz LQBSOQPDQHCXHV-YYIAUSFCSA-N 2 1 319.449 0.509 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958229 772252717 /nfs/dbraw/zinc/25/27/17/772252717.db2.gz LQBSOQPDQHCXHV-YYIAUSFCSA-N 2 1 319.449 0.509 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958229 772252720 /nfs/dbraw/zinc/25/27/20/772252720.db2.gz LQBSOQPDQHCXHV-YYIAUSFCSA-N 2 1 319.449 0.509 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001188138727 772270948 /nfs/dbraw/zinc/27/09/48/772270948.db2.gz APQJQEIBUZEAQY-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164582697 772684496 /nfs/dbraw/zinc/68/44/96/772684496.db2.gz NKKFCKNZWQJQID-HZPDHXFCSA-N 2 1 321.465 0.853 20 30 DCEDMP C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001190948056 772696128 /nfs/dbraw/zinc/69/61/28/772696128.db2.gz TVFBHRNXFDULSI-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165729063 772758386 /nfs/dbraw/zinc/75/83/86/772758386.db2.gz YJRBKHCNVZTPIL-HUUCEWRRSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165729063 772758387 /nfs/dbraw/zinc/75/83/87/772758387.db2.gz YJRBKHCNVZTPIL-HUUCEWRRSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152726 772875783 /nfs/dbraw/zinc/87/57/83/772875783.db2.gz HWLQXNVWHMKPCO-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192170410 772879395 /nfs/dbraw/zinc/87/93/95/772879395.db2.gz LICOIAWOKCXNDZ-CABCVRRESA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192386876 772913128 /nfs/dbraw/zinc/91/31/28/772913128.db2.gz SLVMSAFJFNZSGQ-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192386876 772913130 /nfs/dbraw/zinc/91/31/30/772913130.db2.gz SLVMSAFJFNZSGQ-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204876071 772967153 /nfs/dbraw/zinc/96/71/53/772967153.db2.gz LWXSEIULAFLOQE-CQSZACIVSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876071 772967155 /nfs/dbraw/zinc/96/71/55/772967155.db2.gz LWXSEIULAFLOQE-CQSZACIVSA-N 2 1 315.845 0.898 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601150 773096960 /nfs/dbraw/zinc/09/69/60/773096960.db2.gz UGNIOVYXFPMIBF-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193601150 773096963 /nfs/dbraw/zinc/09/69/63/773096963.db2.gz UGNIOVYXFPMIBF-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193601150 773096967 /nfs/dbraw/zinc/09/69/67/773096967.db2.gz UGNIOVYXFPMIBF-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193601150 773096970 /nfs/dbraw/zinc/09/69/70/773096970.db2.gz UGNIOVYXFPMIBF-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821507 773116558 /nfs/dbraw/zinc/11/65/58/773116558.db2.gz LRSAIKLVHGHNGI-FVQBIDKESA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821507 773116559 /nfs/dbraw/zinc/11/65/59/773116559.db2.gz LRSAIKLVHGHNGI-FVQBIDKESA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821507 773116560 /nfs/dbraw/zinc/11/65/60/773116560.db2.gz LRSAIKLVHGHNGI-FVQBIDKESA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001206890434 773121921 /nfs/dbraw/zinc/12/19/21/773121921.db2.gz RIUAKGDIGDLGJL-UHFFFAOYSA-N 2 1 324.469 0.459 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001208073209 773393750 /nfs/dbraw/zinc/39/37/50/773393750.db2.gz FGUIYLKGYAXUOV-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001197195916 773712423 /nfs/dbraw/zinc/71/24/23/773712423.db2.gz MVCMGDZSKPFDPH-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@@H+]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001197195916 773712428 /nfs/dbraw/zinc/71/24/28/773712428.db2.gz MVCMGDZSKPFDPH-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211045923 773763014 /nfs/dbraw/zinc/76/30/14/773763014.db2.gz FBSJPTBLORDIOE-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CCCO1 ZINC001200850487 774416294 /nfs/dbraw/zinc/41/62/94/774416294.db2.gz HQZFVXCEUXSEDI-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357606 774462427 /nfs/dbraw/zinc/46/24/27/774462427.db2.gz CKTNMTZNDBZPBO-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357606 774462432 /nfs/dbraw/zinc/46/24/32/774462432.db2.gz CKTNMTZNDBZPBO-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357606 774462439 /nfs/dbraw/zinc/46/24/39/774462439.db2.gz CKTNMTZNDBZPBO-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357606 774462445 /nfs/dbraw/zinc/46/24/45/774462445.db2.gz CKTNMTZNDBZPBO-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001201392897 774505544 /nfs/dbraw/zinc/50/55/44/774505544.db2.gz GALKVYPOORIQTF-UHFFFAOYSA-N 2 1 304.394 0.954 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114465238 774883268 /nfs/dbraw/zinc/88/32/68/774883268.db2.gz BHOCGFGRPONYNH-ZSHCYNCHSA-N 2 1 319.449 0.415 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979468 774968828 /nfs/dbraw/zinc/96/88/28/774968828.db2.gz MPUGVVDMLZTJQR-YUELXQCFSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979468 774968832 /nfs/dbraw/zinc/96/88/32/774968832.db2.gz MPUGVVDMLZTJQR-YUELXQCFSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001223449594 775492474 /nfs/dbraw/zinc/49/24/74/775492474.db2.gz MKASTWVYHUKVMO-INIZCTEOSA-N 2 1 319.453 0.828 20 30 DCEDMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC#CCOC)[C@H]2C1)[NH+](C)C ZINC001223512455 775497362 /nfs/dbraw/zinc/49/73/62/775497362.db2.gz IYDHCYRTULFXHQ-IKGGRYGDSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001229185327 776165988 /nfs/dbraw/zinc/16/59/88/776165988.db2.gz LIOKNMWNUWOJDI-AWEZNQCLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001229185327 776165998 /nfs/dbraw/zinc/16/59/98/776165998.db2.gz LIOKNMWNUWOJDI-AWEZNQCLSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229663367 776210464 /nfs/dbraw/zinc/21/04/64/776210464.db2.gz CRTDYZBJANPTBW-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[NH2+][C@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001278179431 945169462 /nfs/dbraw/zinc/16/94/62/945169462.db2.gz QXVLBBPMOQRPLC-ZDUSSCGKSA-N 2 1 301.350 0.134 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001266263257 939034920 /nfs/dbraw/zinc/03/49/20/939034920.db2.gz ZLLGGMNETWOJTN-QGZVFWFLSA-N 2 1 320.481 0.638 20 30 DCEDMP C#CC[N@@H+](CC)CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001266392944 939104538 /nfs/dbraw/zinc/10/45/38/939104538.db2.gz SHCLUSUZSCZSPV-HNNXBMFYSA-N 2 1 303.410 0.861 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266802201 939240653 /nfs/dbraw/zinc/24/06/53/939240653.db2.gz XMDZDOIOKYYPBS-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cn(C)nc1C ZINC001266951773 939287849 /nfs/dbraw/zinc/28/78/49/939287849.db2.gz XTPUBGQAYTXQME-BBRMVZONSA-N 2 1 317.437 0.420 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cn(C)nc1C ZINC001266951773 939287850 /nfs/dbraw/zinc/28/78/50/939287850.db2.gz XTPUBGQAYTXQME-BBRMVZONSA-N 2 1 317.437 0.420 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267114330 939348585 /nfs/dbraw/zinc/34/85/85/939348585.db2.gz CUSNPACUJRMPBO-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267114330 939348590 /nfs/dbraw/zinc/34/85/90/939348590.db2.gz CUSNPACUJRMPBO-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267114330 939348592 /nfs/dbraw/zinc/34/85/92/939348592.db2.gz CUSNPACUJRMPBO-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267114330 939348596 /nfs/dbraw/zinc/34/85/96/939348596.db2.gz CUSNPACUJRMPBO-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@H]2CC[C@H](C)O2)CC1 ZINC001267232172 939396934 /nfs/dbraw/zinc/39/69/34/939396934.db2.gz BEPBYIFBPMOABH-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCOC2CCC2)CC1 ZINC001267232167 939396974 /nfs/dbraw/zinc/39/69/74/939396974.db2.gz BCPOTMUIZXCYKE-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267618457 939589659 /nfs/dbraw/zinc/58/96/59/939589659.db2.gz OPWUXQXGXJBGRS-INIZCTEOSA-N 2 1 308.470 0.426 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001267700426 939630896 /nfs/dbraw/zinc/63/08/96/939630896.db2.gz COZUJICCYVZJHM-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267745634 939658217 /nfs/dbraw/zinc/65/82/17/939658217.db2.gz ZGINHAFNCRQPST-BFHYXJOUSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267745634 939658218 /nfs/dbraw/zinc/65/82/18/939658218.db2.gz ZGINHAFNCRQPST-BFHYXJOUSA-N 2 1 310.442 0.208 20 30 DCEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001481330224 939751171 /nfs/dbraw/zinc/75/11/71/939751171.db2.gz OPCXDFFJUGVHJN-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001481330224 939751174 /nfs/dbraw/zinc/75/11/74/939751174.db2.gz OPCXDFFJUGVHJN-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001481453638 939800563 /nfs/dbraw/zinc/80/05/63/939800563.db2.gz XEOOZKCKJZXZFN-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001481453638 939800567 /nfs/dbraw/zinc/80/05/67/939800567.db2.gz XEOOZKCKJZXZFN-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268094428 939944240 /nfs/dbraw/zinc/94/42/40/939944240.db2.gz OHFBSCRKFRLMSI-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001268220021 939994148 /nfs/dbraw/zinc/99/41/48/939994148.db2.gz REPBFAUFKRADGV-CVEARBPZSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001268215459 939994249 /nfs/dbraw/zinc/99/42/49/939994249.db2.gz JOZVUUVZSAGILP-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001268215459 939994250 /nfs/dbraw/zinc/99/42/50/939994250.db2.gz JOZVUUVZSAGILP-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268580032 940263667 /nfs/dbraw/zinc/26/36/67/940263667.db2.gz VMBZVQUXYSEMTG-KXLSMFKISA-N 2 1 322.453 0.423 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccns1 ZINC001268648478 940317421 /nfs/dbraw/zinc/31/74/21/940317421.db2.gz KEVRGGCWGZKFMV-OCCSQVGLSA-N 2 1 306.435 0.835 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccns1 ZINC001268648478 940317426 /nfs/dbraw/zinc/31/74/26/940317426.db2.gz KEVRGGCWGZKFMV-OCCSQVGLSA-N 2 1 306.435 0.835 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268686907 940331007 /nfs/dbraw/zinc/33/10/07/940331007.db2.gz RENBMDSNBANGGQ-MELADBBJSA-N 2 1 310.442 0.113 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CC#CCOC)C2)CC[N@H+]1C ZINC001269026155 940596199 /nfs/dbraw/zinc/59/61/99/940596199.db2.gz RTTKAQJASXNWOO-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001269026155 940596200 /nfs/dbraw/zinc/59/62/00/940596200.db2.gz RTTKAQJASXNWOO-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001269026155 940596202 /nfs/dbraw/zinc/59/62/02/940596202.db2.gz RTTKAQJASXNWOO-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001269026155 940596205 /nfs/dbraw/zinc/59/62/05/940596205.db2.gz RTTKAQJASXNWOO-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001269026155 940596206 /nfs/dbraw/zinc/59/62/06/940596206.db2.gz RTTKAQJASXNWOO-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001482438130 941221268 /nfs/dbraw/zinc/22/12/68/941221268.db2.gz BQHUGIKLWOEEEM-HUUCEWRRSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001271152197 941291440 /nfs/dbraw/zinc/29/14/40/941291440.db2.gz KFEQIQCCEKAMEX-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001271152197 941291443 /nfs/dbraw/zinc/29/14/43/941291443.db2.gz KFEQIQCCEKAMEX-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001271152197 941291445 /nfs/dbraw/zinc/29/14/45/941291445.db2.gz KFEQIQCCEKAMEX-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001271893015 941474175 /nfs/dbraw/zinc/47/41/75/941474175.db2.gz ZLYMWHVQVNYVJF-GASCZTMLSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001271893015 941474176 /nfs/dbraw/zinc/47/41/76/941474176.db2.gz ZLYMWHVQVNYVJF-GASCZTMLSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001271893015 941474177 /nfs/dbraw/zinc/47/41/77/941474177.db2.gz ZLYMWHVQVNYVJF-GASCZTMLSA-N 2 1 322.453 0.021 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001482774216 941665663 /nfs/dbraw/zinc/66/56/63/941665663.db2.gz ZDNPVEHTZXRIOP-GFCCVEGCSA-N 2 1 314.817 0.826 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001482991484 941761147 /nfs/dbraw/zinc/76/11/47/941761147.db2.gz RTWVPTUSXFLXRC-MEWZEZIVSA-N 2 1 308.426 0.033 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594369 942028537 /nfs/dbraw/zinc/02/85/37/942028537.db2.gz YBMYNWNVASRFCM-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083594369 942028543 /nfs/dbraw/zinc/02/85/43/942028543.db2.gz YBMYNWNVASRFCM-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083594369 942028545 /nfs/dbraw/zinc/02/85/45/942028545.db2.gz YBMYNWNVASRFCM-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594170 942028607 /nfs/dbraw/zinc/02/86/07/942028607.db2.gz PFOBKVGIRMQVJH-PMPSAXMXSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594170 942028610 /nfs/dbraw/zinc/02/86/10/942028610.db2.gz PFOBKVGIRMQVJH-PMPSAXMXSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594170 942028615 /nfs/dbraw/zinc/02/86/15/942028615.db2.gz PFOBKVGIRMQVJH-PMPSAXMXSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083594170 942028618 /nfs/dbraw/zinc/02/86/18/942028618.db2.gz PFOBKVGIRMQVJH-PMPSAXMXSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083594170 942028623 /nfs/dbraw/zinc/02/86/23/942028623.db2.gz PFOBKVGIRMQVJH-PMPSAXMXSA-N 2 1 307.438 0.291 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001272503985 942790655 /nfs/dbraw/zinc/79/06/55/942790655.db2.gz KBHWOJYKPVXHHM-GDBMZVCRSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001484059827 943121542 /nfs/dbraw/zinc/12/15/42/943121542.db2.gz ZZFPUKWJSDWRDL-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001484059827 943121546 /nfs/dbraw/zinc/12/15/46/943121546.db2.gz ZZFPUKWJSDWRDL-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484436095 943379803 /nfs/dbraw/zinc/37/98/03/943379803.db2.gz UHEYNCDKXPXPGX-DOTOQJQBSA-N 2 1 307.438 0.457 20 30 DCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001484961017 943633463 /nfs/dbraw/zinc/63/34/63/943633463.db2.gz OSHPENLMDONAGG-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[C@@H](C)N1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001485400377 943920647 /nfs/dbraw/zinc/92/06/47/943920647.db2.gz DVCCJODLJJVROO-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001485400377 943920660 /nfs/dbraw/zinc/92/06/60/943920660.db2.gz DVCCJODLJJVROO-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001486034315 944514787 /nfs/dbraw/zinc/51/47/87/944514787.db2.gz PNKDXVCNPVYKBT-GJZGRUSLSA-N 2 1 320.437 0.787 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181462 944626923 /nfs/dbraw/zinc/62/69/23/944626923.db2.gz SUHYLRYQNOPDDN-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181462 944626926 /nfs/dbraw/zinc/62/69/26/944626926.db2.gz SUHYLRYQNOPDDN-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317137820 944817923 /nfs/dbraw/zinc/81/79/23/944817923.db2.gz NYMINHMXVASLCE-HNNXBMFYSA-N 2 1 322.453 0.213 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001317253000 944878772 /nfs/dbraw/zinc/87/87/72/944878772.db2.gz FMGVYGXRQLCZOG-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001317253000 944878778 /nfs/dbraw/zinc/87/87/78/944878778.db2.gz FMGVYGXRQLCZOG-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001318493379 945385493 /nfs/dbraw/zinc/38/54/93/945385493.db2.gz ZCWOUKZKWSOIIQ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318493379 945385501 /nfs/dbraw/zinc/38/55/01/945385501.db2.gz ZCWOUKZKWSOIIQ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001318493379 945385511 /nfs/dbraw/zinc/38/55/11/945385511.db2.gz ZCWOUKZKWSOIIQ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001318493379 945385521 /nfs/dbraw/zinc/38/55/21/945385521.db2.gz ZCWOUKZKWSOIIQ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001318493381 945387199 /nfs/dbraw/zinc/38/71/99/945387199.db2.gz ZCWOUKZKWSOIIQ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318493381 945387206 /nfs/dbraw/zinc/38/72/06/945387206.db2.gz ZCWOUKZKWSOIIQ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001318493381 945387217 /nfs/dbraw/zinc/38/72/17/945387217.db2.gz ZCWOUKZKWSOIIQ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001318493381 945387223 /nfs/dbraw/zinc/38/72/23/945387223.db2.gz ZCWOUKZKWSOIIQ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001318985014 945475212 /nfs/dbraw/zinc/47/52/12/945475212.db2.gz ZNZVZQYOPBVGMP-RBSFLKMASA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCN1CC[N@@H+](C)C2(CCN([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)C1=O ZINC001246737018 945478854 /nfs/dbraw/zinc/47/88/54/945478854.db2.gz CPUVWEUFDSJZMN-HZPDHXFCSA-N 2 1 320.481 0.922 20 30 DCEDMP C=CCN1CC[N@H+](C)C2(CCN([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)C1=O ZINC001246737018 945478861 /nfs/dbraw/zinc/47/88/61/945478861.db2.gz CPUVWEUFDSJZMN-HZPDHXFCSA-N 2 1 320.481 0.922 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001278582613 945666562 /nfs/dbraw/zinc/66/65/62/945666562.db2.gz NDVNRMDNYQSQJE-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001278582613 945666565 /nfs/dbraw/zinc/66/65/65/945666565.db2.gz NDVNRMDNYQSQJE-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320275109 945797552 /nfs/dbraw/zinc/79/75/52/945797552.db2.gz SZZUMKYPHYMEBP-CJNGLKHVSA-N 2 1 315.433 0.842 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001320929141 946073321 /nfs/dbraw/zinc/07/33/21/946073321.db2.gz PMSSCOTYGBJTPT-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C=C[C@@H](O)C[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001253576199 946131574 /nfs/dbraw/zinc/13/15/74/946131574.db2.gz BJXIAHCQAFHUSJ-OAHLLOKOSA-N 2 1 320.437 0.836 20 30 DCEDMP C=C[C@@H](O)C[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001253576199 946131582 /nfs/dbraw/zinc/13/15/82/946131582.db2.gz BJXIAHCQAFHUSJ-OAHLLOKOSA-N 2 1 320.437 0.836 20 30 DCEDMP C=C[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001253576199 946131588 /nfs/dbraw/zinc/13/15/88/946131588.db2.gz BJXIAHCQAFHUSJ-OAHLLOKOSA-N 2 1 320.437 0.836 20 30 DCEDMP C=C[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001253576199 946131593 /nfs/dbraw/zinc/13/15/93/946131593.db2.gz BJXIAHCQAFHUSJ-OAHLLOKOSA-N 2 1 320.437 0.836 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cncn1C ZINC001321543154 946371671 /nfs/dbraw/zinc/37/16/71/946371671.db2.gz IFEPMXJSXRZPLO-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001321652485 946414052 /nfs/dbraw/zinc/41/40/52/946414052.db2.gz KWZOACXBQZMZGB-UKRRQHHQSA-N 2 1 318.421 0.498 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001278816793 946438257 /nfs/dbraw/zinc/43/82/57/946438257.db2.gz WTUAHBUBGRNXCZ-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278816793 946438262 /nfs/dbraw/zinc/43/82/62/946438262.db2.gz WTUAHBUBGRNXCZ-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278816793 946438267 /nfs/dbraw/zinc/43/82/67/946438267.db2.gz WTUAHBUBGRNXCZ-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CCN(C)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001278900043 946557632 /nfs/dbraw/zinc/55/76/32/946557632.db2.gz OYTQDGLBARCZCL-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001278900043 946557637 /nfs/dbraw/zinc/55/76/37/946557637.db2.gz OYTQDGLBARCZCL-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001278900043 946557645 /nfs/dbraw/zinc/55/76/45/946557645.db2.gz OYTQDGLBARCZCL-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001278900043 946557654 /nfs/dbraw/zinc/55/76/54/946557654.db2.gz OYTQDGLBARCZCL-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)on2)CC1 ZINC001322089408 946572455 /nfs/dbraw/zinc/57/24/55/946572455.db2.gz RPPORXUHOUTVFY-ZDUSSCGKSA-N 2 1 318.421 0.923 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001324456277 947431530 /nfs/dbraw/zinc/43/15/30/947431530.db2.gz UCZKJDBPDTZWJM-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001324669769 947499220 /nfs/dbraw/zinc/49/92/20/947499220.db2.gz QXZCGIHECBJUMK-INIZCTEOSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001324669769 947499226 /nfs/dbraw/zinc/49/92/26/947499226.db2.gz QXZCGIHECBJUMK-INIZCTEOSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001324669769 947499232 /nfs/dbraw/zinc/49/92/32/947499232.db2.gz QXZCGIHECBJUMK-INIZCTEOSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001324669769 947499236 /nfs/dbraw/zinc/49/92/36/947499236.db2.gz QXZCGIHECBJUMK-INIZCTEOSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001325819426 947933471 /nfs/dbraw/zinc/93/34/71/947933471.db2.gz VUGFDIYULKQZBO-INIZCTEOSA-N 2 1 324.469 0.063 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001325819426 947933477 /nfs/dbraw/zinc/93/34/77/947933477.db2.gz VUGFDIYULKQZBO-INIZCTEOSA-N 2 1 324.469 0.063 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001325819427 947934030 /nfs/dbraw/zinc/93/40/30/947934030.db2.gz VUGFDIYULKQZBO-MRXNPFEDSA-N 2 1 324.469 0.063 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001325819427 947934035 /nfs/dbraw/zinc/93/40/35/947934035.db2.gz VUGFDIYULKQZBO-MRXNPFEDSA-N 2 1 324.469 0.063 20 30 DCEDMP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001327607558 948569902 /nfs/dbraw/zinc/56/99/02/948569902.db2.gz ORWYTSSJLSPAQD-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001263820615 948760440 /nfs/dbraw/zinc/76/04/40/948760440.db2.gz CQVAVQARWJFJLG-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@H+]1CC#CCOC ZINC001264066226 948860502 /nfs/dbraw/zinc/86/05/02/948860502.db2.gz CNSJSXXHRBNCNI-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CC)CC[NH+]1CC#CCOC ZINC001264066226 948860519 /nfs/dbraw/zinc/86/05/19/948860519.db2.gz CNSJSXXHRBNCNI-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)CC[NH+]1CC#CCOC ZINC001264066226 948860535 /nfs/dbraw/zinc/86/05/35/948860535.db2.gz CNSJSXXHRBNCNI-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cn2c[nH+]cc2C)n1 ZINC001264583017 949012435 /nfs/dbraw/zinc/01/24/35/949012435.db2.gz UCOMGGCFKSJPKA-UHFFFAOYSA-N 2 1 316.365 0.279 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001489017771 949436896 /nfs/dbraw/zinc/43/68/96/949436896.db2.gz VNGRNOFWTGGWQQ-GVDBMIGSSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001265265331 949514080 /nfs/dbraw/zinc/51/40/80/949514080.db2.gz VWCBCHSAVJPOCM-IRXDYDNUSA-N 2 1 320.481 0.923 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC(C)C)C1 ZINC001265435446 949683231 /nfs/dbraw/zinc/68/32/31/949683231.db2.gz GFOODNMJLOVHFF-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC(C)C)C1 ZINC001265435446 949683244 /nfs/dbraw/zinc/68/32/44/949683244.db2.gz GFOODNMJLOVHFF-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001329625949 949724194 /nfs/dbraw/zinc/72/41/94/949724194.db2.gz ZLFGRSULPKMMMR-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001330956277 950789735 /nfs/dbraw/zinc/78/97/35/950789735.db2.gz YIOGHSGUPNHGBI-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001331069398 950872172 /nfs/dbraw/zinc/87/21/72/950872172.db2.gz WVGSRYPZYCIQQF-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001331069398 950872185 /nfs/dbraw/zinc/87/21/85/950872185.db2.gz WVGSRYPZYCIQQF-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001331069398 950872196 /nfs/dbraw/zinc/87/21/96/950872196.db2.gz WVGSRYPZYCIQQF-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCO1 ZINC001280631873 951008739 /nfs/dbraw/zinc/00/87/39/951008739.db2.gz ZEUATJWYFVJSRH-ZBFHGGJFSA-N 2 1 316.405 0.204 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001280745275 951060354 /nfs/dbraw/zinc/06/03/54/951060354.db2.gz RVNNOWJOMHYSAI-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280745275 951060367 /nfs/dbraw/zinc/06/03/67/951060367.db2.gz RVNNOWJOMHYSAI-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280745275 951060380 /nfs/dbraw/zinc/06/03/80/951060380.db2.gz RVNNOWJOMHYSAI-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001490778001 951100058 /nfs/dbraw/zinc/10/00/58/951100058.db2.gz USOUBCPONUOITB-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001490778001 951100067 /nfs/dbraw/zinc/10/00/67/951100067.db2.gz USOUBCPONUOITB-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001490778001 951100081 /nfs/dbraw/zinc/10/00/81/951100081.db2.gz USOUBCPONUOITB-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001490778001 951100097 /nfs/dbraw/zinc/10/00/97/951100097.db2.gz USOUBCPONUOITB-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001490778001 951100104 /nfs/dbraw/zinc/10/01/04/951100104.db2.gz USOUBCPONUOITB-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC=C)CC1 ZINC001281613321 951563888 /nfs/dbraw/zinc/56/38/88/951563888.db2.gz QWDFYERWVDRPCP-HNNXBMFYSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC=C)CC1 ZINC001281613321 951563896 /nfs/dbraw/zinc/56/38/96/951563896.db2.gz QWDFYERWVDRPCP-HNNXBMFYSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001281642601 951572969 /nfs/dbraw/zinc/57/29/69/951572969.db2.gz JWHZJIKPHBGXSC-UHFFFAOYSA-N 2 1 304.394 0.158 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332438383 951647229 /nfs/dbraw/zinc/64/72/29/951647229.db2.gz RZGKMCWKMFEGMA-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cnc(C)[nH]3)C2)C1=O ZINC001274575611 951710486 /nfs/dbraw/zinc/71/04/86/951710486.db2.gz GJYUWUFTLIQZGZ-INIZCTEOSA-N 2 1 300.362 0.692 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[N@H+](Cc3cnc(C)[nH]3)C2)C1=O ZINC001274575611 951710491 /nfs/dbraw/zinc/71/04/91/951710491.db2.gz GJYUWUFTLIQZGZ-INIZCTEOSA-N 2 1 300.362 0.692 20 30 DCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274619743 951745214 /nfs/dbraw/zinc/74/52/14/951745214.db2.gz CJVNOPFRPYSRFP-NVXWUHKLSA-N 2 1 309.454 0.942 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001276159056 952953592 /nfs/dbraw/zinc/95/35/92/952953592.db2.gz SHNOYOBELSVVJX-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[C@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CCC[NH2+]1 ZINC001343591533 953355314 /nfs/dbraw/zinc/35/53/14/953355314.db2.gz GLMWWBOZKQCSSB-USXIJHARSA-N 2 1 323.437 0.027 20 30 DCEDMP C#CCC[N@@H+](C)CCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001283386832 954314015 /nfs/dbraw/zinc/31/40/15/954314015.db2.gz GIHRPLKPBROIHH-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284056106 954820809 /nfs/dbraw/zinc/82/08/09/954820809.db2.gz DYRDOJLWRRQVTO-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284056106 954820815 /nfs/dbraw/zinc/82/08/15/954820815.db2.gz DYRDOJLWRRQVTO-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001284056106 954820825 /nfs/dbraw/zinc/82/08/25/954820825.db2.gz DYRDOJLWRRQVTO-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001284056106 954820834 /nfs/dbraw/zinc/82/08/34/954820834.db2.gz DYRDOJLWRRQVTO-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCN1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001354233798 956323168 /nfs/dbraw/zinc/32/31/68/956323168.db2.gz LRACHDGYTISBHI-CAOSSQGBSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001354233798 956323183 /nfs/dbraw/zinc/32/31/83/956323183.db2.gz LRACHDGYTISBHI-CAOSSQGBSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001354233798 956323199 /nfs/dbraw/zinc/32/31/99/956323199.db2.gz LRACHDGYTISBHI-CAOSSQGBSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001354233798 956323205 /nfs/dbraw/zinc/32/32/05/956323205.db2.gz LRACHDGYTISBHI-CAOSSQGBSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001354233798 956323218 /nfs/dbraw/zinc/32/32/18/956323218.db2.gz LRACHDGYTISBHI-CAOSSQGBSA-N 2 1 304.438 0.723 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001382138554 966972842 /nfs/dbraw/zinc/97/28/42/966972842.db2.gz DTEVTEBDWDSAEJ-CYBMUJFWSA-N 2 1 303.834 0.898 20 30 DCEDMP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001448913369 1014094070 /nfs/dbraw/zinc/09/40/70/1014094070.db2.gz VWQZGSIQVYRMPE-HOTGVXAUSA-N 2 1 318.421 0.465 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001394609529 993904714 /nfs/dbraw/zinc/90/47/14/993904714.db2.gz RZRLWOAYNYCAFQ-UONOGXRCSA-N 2 1 317.861 0.926 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001394609529 993904726 /nfs/dbraw/zinc/90/47/26/993904726.db2.gz RZRLWOAYNYCAFQ-UONOGXRCSA-N 2 1 317.861 0.926 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507029731 1015902862 /nfs/dbraw/zinc/90/28/62/1015902862.db2.gz YYJPVDAHPQOAJF-DOTOQJQBSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001502573351 1015979211 /nfs/dbraw/zinc/97/92/11/1015979211.db2.gz NFERXSUNWYAXDU-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001507507901 1016433501 /nfs/dbraw/zinc/43/35/01/1016433501.db2.gz WFKRIEQXEIVFAS-HZPDHXFCSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001507568291 1016458065 /nfs/dbraw/zinc/45/80/65/1016458065.db2.gz QSKDGAZZEVZHOP-HOTGVXAUSA-N 2 1 303.406 0.331 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001421981525 1009357342 /nfs/dbraw/zinc/35/73/42/1009357342.db2.gz JTCULBKGTYCHER-STQMWFEESA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001421981525 1009357352 /nfs/dbraw/zinc/35/73/52/1009357352.db2.gz JTCULBKGTYCHER-STQMWFEESA-N 2 1 303.834 0.896 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001422261154 1009726917 /nfs/dbraw/zinc/72/69/17/1009726917.db2.gz ANCBUZMRNCZYTM-CVEARBPZSA-N 2 1 316.405 0.219 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001422342634 1009916108 /nfs/dbraw/zinc/91/61/08/1009916108.db2.gz OJZIINDBQUVQID-KBPBESRZSA-N 2 1 317.861 0.928 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001423792618 1011554312 /nfs/dbraw/zinc/55/43/12/1011554312.db2.gz FXSZICQBHSHZCX-HNNXBMFYSA-N 2 1 313.829 0.388 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001423792618 1011554326 /nfs/dbraw/zinc/55/43/26/1011554326.db2.gz FXSZICQBHSHZCX-HNNXBMFYSA-N 2 1 313.829 0.388 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001506854591 1017618894 /nfs/dbraw/zinc/61/88/94/1017618894.db2.gz LVDPPYILQIQFRI-GVDBMIGSSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#CCOC)[C@@H]1CC)[NH+](C)C ZINC001479641526 1017619165 /nfs/dbraw/zinc/61/91/65/1017619165.db2.gz DCKGLNIJKIJWRN-XHSDSOJGSA-N 2 1 309.454 0.946 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001479643599 1017620313 /nfs/dbraw/zinc/62/03/13/1017620313.db2.gz JIGUKJXCBKNPFR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001479643599 1017620321 /nfs/dbraw/zinc/62/03/21/1017620321.db2.gz JIGUKJXCBKNPFR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001499620508 1018002367 /nfs/dbraw/zinc/00/23/67/1018002367.db2.gz XDTLJRUKNNLZCC-FUHWJXTLSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001499620508 1018002377 /nfs/dbraw/zinc/00/23/77/1018002377.db2.gz XDTLJRUKNNLZCC-FUHWJXTLSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001499620508 1018002384 /nfs/dbraw/zinc/00/23/84/1018002384.db2.gz XDTLJRUKNNLZCC-FUHWJXTLSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494865253 1018115453 /nfs/dbraw/zinc/11/54/53/1018115453.db2.gz WFPWXZRGWSGASR-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494865253 1018115465 /nfs/dbraw/zinc/11/54/65/1018115465.db2.gz WFPWXZRGWSGASR-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494865253 1018115472 /nfs/dbraw/zinc/11/54/72/1018115472.db2.gz WFPWXZRGWSGASR-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494865253 1018115483 /nfs/dbraw/zinc/11/54/83/1018115483.db2.gz WFPWXZRGWSGASR-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCC ZINC001499901468 1018126005 /nfs/dbraw/zinc/12/60/05/1018126005.db2.gz SZSUGXQGEFQPCI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCC ZINC001499901468 1018126017 /nfs/dbraw/zinc/12/60/17/1018126017.db2.gz SZSUGXQGEFQPCI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC#CCOC)C2CC2)CC[N@H+]1C ZINC001480019952 1018128948 /nfs/dbraw/zinc/12/89/48/1018128948.db2.gz CCAZWPOHKLTGRF-GVDBMIGSSA-N 2 1 321.465 0.851 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001500288877 1018386179 /nfs/dbraw/zinc/38/61/79/1018386179.db2.gz DAGQWSACXGMOPF-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001500288877 1018386186 /nfs/dbraw/zinc/38/61/86/1018386186.db2.gz DAGQWSACXGMOPF-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480368145 1018469279 /nfs/dbraw/zinc/46/92/79/1018469279.db2.gz WJXIFIRBLLAUPN-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001500718173 1018606174 /nfs/dbraw/zinc/60/61/74/1018606174.db2.gz OKJLLPUDGZTRPA-PBHICJAKSA-N 2 1 318.421 0.493 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001500718173 1018606181 /nfs/dbraw/zinc/60/61/81/1018606181.db2.gz OKJLLPUDGZTRPA-PBHICJAKSA-N 2 1 318.421 0.493 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001493205736 1019200142 /nfs/dbraw/zinc/20/01/42/1019200142.db2.gz GTWGSMUXIUQJAH-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001493205736 1019200155 /nfs/dbraw/zinc/20/01/55/1019200155.db2.gz GTWGSMUXIUQJAH-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001493205736 1019200161 /nfs/dbraw/zinc/20/01/61/1019200161.db2.gz GTWGSMUXIUQJAH-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001501577542 1019301921 /nfs/dbraw/zinc/30/19/21/1019301921.db2.gz ARIPTSVCPRJJNR-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001502102088 1019721768 /nfs/dbraw/zinc/72/17/68/1019721768.db2.gz PQTBEUZMGQAILR-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001502102088 1019721784 /nfs/dbraw/zinc/72/17/84/1019721784.db2.gz PQTBEUZMGQAILR-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001502101739 1019721825 /nfs/dbraw/zinc/72/18/25/1019721825.db2.gz IDDVOCCMXKDZSH-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001499183593 1019834534 /nfs/dbraw/zinc/83/45/34/1019834534.db2.gz FVNFMZDVOKGYRJ-OLZOCXBDSA-N 2 1 308.426 0.010 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001493977508 1019870645 /nfs/dbraw/zinc/87/06/45/1019870645.db2.gz NGWJOWDUELZGIQ-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262317937 529809272 /nfs/dbraw/zinc/80/92/72/529809272.db2.gz RAGKXLPNLSSTMI-BBRMVZONSA-N 2 1 304.394 0.481 20 30 DCEDMP CN(C)C(=[NH+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)N(C)C ZINC000264072959 238188364 /nfs/dbraw/zinc/18/83/64/238188364.db2.gz DQQRZLCPTYDGOJ-INIZCTEOSA-N 2 1 304.438 0.885 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccccc1O ZINC000264093779 238189720 /nfs/dbraw/zinc/18/97/20/238189720.db2.gz LYCKXAFUOFWTAZ-UHFFFAOYSA-N 2 1 306.410 0.561 20 30 DCEDMP COC(=O)[C@H](C)C[NH+](C)CC#CC[N@H+](C)C[C@H](C)C(=O)OC ZINC000276297686 533168181 /nfs/dbraw/zinc/16/81/81/533168181.db2.gz JGYYQLWBTIVRFJ-OKILXGFUSA-N 2 1 312.410 0.472 20 30 DCEDMP COC(=O)[C@H](C)C[N@@H+](C)CC#CC[NH+](C)C[C@H](C)C(=O)OC ZINC000276297686 533168187 /nfs/dbraw/zinc/16/81/87/533168187.db2.gz JGYYQLWBTIVRFJ-OKILXGFUSA-N 2 1 312.410 0.472 20 30 DCEDMP COC(=O)[C@H](C)C[N@H+](C)CC#CC[NH+](C)C[C@H](C)C(=O)OC ZINC000276297686 533168195 /nfs/dbraw/zinc/16/81/95/533168195.db2.gz JGYYQLWBTIVRFJ-OKILXGFUSA-N 2 1 312.410 0.472 20 30 DCEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1O ZINC000264083123 533421272 /nfs/dbraw/zinc/42/12/72/533421272.db2.gz ICQVGUPCSKQPHF-UHFFFAOYSA-N 2 1 322.409 0.527 20 30 DCEDMP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000329523996 396845623 /nfs/dbraw/zinc/84/56/23/396845623.db2.gz QFVQYNWVEXSUAU-ZIAGYGMSSA-N 2 1 310.442 0.574 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458333985 397429508 /nfs/dbraw/zinc/42/95/08/397429508.db2.gz MAUCIPKLWHHTKN-MRXNPFEDSA-N 2 1 324.469 0.783 20 30 DCEDMP N#CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000603833267 397623322 /nfs/dbraw/zinc/62/33/22/397623322.db2.gz DGCZHKLKZLDQCQ-XHSDSOJGSA-N 2 1 301.390 0.644 20 30 DCEDMP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000603833267 397623325 /nfs/dbraw/zinc/62/33/25/397623325.db2.gz DGCZHKLKZLDQCQ-XHSDSOJGSA-N 2 1 301.390 0.644 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+](CC)CCc2nccs2)CC1 ZINC000159163275 416007267 /nfs/dbraw/zinc/00/72/67/416007267.db2.gz AHFVBYZMBSTTMK-UHFFFAOYSA-N 2 1 320.462 0.785 20 30 DCEDMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329174003 416155249 /nfs/dbraw/zinc/15/52/49/416155249.db2.gz LROYSCGHOYHCSH-OAGGEKHMSA-N 2 1 323.485 0.753 20 30 DCEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329174003 416155256 /nfs/dbraw/zinc/15/52/56/416155256.db2.gz LROYSCGHOYHCSH-OAGGEKHMSA-N 2 1 323.485 0.753 20 30 DCEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329174003 416155258 /nfs/dbraw/zinc/15/52/58/416155258.db2.gz LROYSCGHOYHCSH-OAGGEKHMSA-N 2 1 323.485 0.753 20 30 DCEDMP CC1(C)[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)[C@@H]2CCO[C@H]21 ZINC000304748662 416102689 /nfs/dbraw/zinc/10/26/89/416102689.db2.gz HHEMIZLDGZOIGW-BFHYXJOUSA-N 2 1 310.442 0.427 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCC[NH+](C)CC1 ZINC000303892471 416102967 /nfs/dbraw/zinc/10/29/67/416102967.db2.gz RFGHOYHIJRHAIR-HNNXBMFYSA-N 3 1 310.490 0.013 20 30 DCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303892471 416102970 /nfs/dbraw/zinc/10/29/70/416102970.db2.gz RFGHOYHIJRHAIR-HNNXBMFYSA-N 3 1 310.490 0.013 20 30 DCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303892471 416102972 /nfs/dbraw/zinc/10/29/72/416102972.db2.gz RFGHOYHIJRHAIR-HNNXBMFYSA-N 3 1 310.490 0.013 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000347063316 416211279 /nfs/dbraw/zinc/21/12/79/416211279.db2.gz DMGQTFBLUHDTKR-OAHLLOKOSA-N 2 1 310.442 0.657 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000187014965 416259241 /nfs/dbraw/zinc/25/92/41/416259241.db2.gz FQNVKRWHDDNGJM-PMPSAXMXSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000187014965 416259246 /nfs/dbraw/zinc/25/92/46/416259246.db2.gz FQNVKRWHDDNGJM-PMPSAXMXSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000491773458 416626468 /nfs/dbraw/zinc/62/64/68/416626468.db2.gz BDSZSISCAIRJFA-MRXNPFEDSA-N 2 1 320.481 0.616 20 30 DCEDMP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662737465 417879415 /nfs/dbraw/zinc/87/94/15/417879415.db2.gz ZOVXPSZDLHLHEU-QAPCUYQASA-N 3 1 320.481 0.969 20 30 DCEDMP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662737465 417879418 /nfs/dbraw/zinc/87/94/18/417879418.db2.gz ZOVXPSZDLHLHEU-QAPCUYQASA-N 3 1 320.481 0.969 20 30 DCEDMP C=CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000516315638 338009545 /nfs/dbraw/zinc/00/95/45/338009545.db2.gz QHKLHHCYJGXTHL-ZBFHGGJFSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000516315638 338009546 /nfs/dbraw/zinc/00/95/46/338009546.db2.gz QHKLHHCYJGXTHL-ZBFHGGJFSA-N 2 1 301.390 0.995 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001567494715 1160395544 /nfs/dbraw/zinc/39/55/44/1160395544.db2.gz MEGFQCNXUZZUFV-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569829341 1161281021 /nfs/dbraw/zinc/28/10/21/1161281021.db2.gz XHNPMTMHMQTMEO-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[NH+]=C(NCC1(O)CCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261761586 528804304 /nfs/dbraw/zinc/80/43/04/528804304.db2.gz OJMDXCHZLFHNET-HNNXBMFYSA-N 2 1 324.469 0.521 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001664853193 1174466526 /nfs/dbraw/zinc/46/65/26/1174466526.db2.gz GXVVXCCRZCBBLZ-JKSUJKDBSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001664853193 1174466534 /nfs/dbraw/zinc/46/65/34/1174466534.db2.gz GXVVXCCRZCBBLZ-JKSUJKDBSA-N 2 1 307.438 0.368 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329244527 546045511 /nfs/dbraw/zinc/04/55/11/546045511.db2.gz PWQRNJQEJANLID-UONOGXRCSA-N 2 1 310.442 0.383 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329244527 546045516 /nfs/dbraw/zinc/04/55/16/546045516.db2.gz PWQRNJQEJANLID-UONOGXRCSA-N 2 1 310.442 0.383 20 30 DCEDMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000329398762 546048571 /nfs/dbraw/zinc/04/85/71/546048571.db2.gz YFVBUNOZMJAARD-CABCVRRESA-N 2 1 311.474 0.468 20 30 DCEDMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000329398762 546048573 /nfs/dbraw/zinc/04/85/73/546048573.db2.gz YFVBUNOZMJAARD-CABCVRRESA-N 2 1 311.474 0.468 20 30 DCEDMP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000329398762 546048577 /nfs/dbraw/zinc/04/85/77/546048577.db2.gz YFVBUNOZMJAARD-CABCVRRESA-N 2 1 311.474 0.468 20 30 DCEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000329398762 546048580 /nfs/dbraw/zinc/04/85/80/546048580.db2.gz YFVBUNOZMJAARD-CABCVRRESA-N 2 1 311.474 0.468 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000672357398 547354298 /nfs/dbraw/zinc/35/42/98/547354298.db2.gz ZLFKBYLIQKUWIF-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978331073 660523604 /nfs/dbraw/zinc/52/36/04/660523604.db2.gz FNOHPFFZVSAVKP-DGXTUMSLSA-N 2 1 307.438 0.576 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978331073 660523605 /nfs/dbraw/zinc/52/36/05/660523605.db2.gz FNOHPFFZVSAVKP-DGXTUMSLSA-N 2 1 307.438 0.576 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978331073 660523606 /nfs/dbraw/zinc/52/36/06/660523606.db2.gz FNOHPFFZVSAVKP-DGXTUMSLSA-N 2 1 307.438 0.576 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978331073 660523607 /nfs/dbraw/zinc/52/36/07/660523607.db2.gz FNOHPFFZVSAVKP-DGXTUMSLSA-N 2 1 307.438 0.576 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643945 660579482 /nfs/dbraw/zinc/57/94/82/660579482.db2.gz YUFMRYFMFBICCM-WCXIOVBPSA-N 2 1 321.465 0.966 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643945 660579483 /nfs/dbraw/zinc/57/94/83/660579483.db2.gz YUFMRYFMFBICCM-WCXIOVBPSA-N 2 1 321.465 0.966 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643945 660579485 /nfs/dbraw/zinc/57/94/85/660579485.db2.gz YUFMRYFMFBICCM-WCXIOVBPSA-N 2 1 321.465 0.966 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023374312 657797781 /nfs/dbraw/zinc/79/77/81/657797781.db2.gz MPCYCLPNLUUMQV-HNNXBMFYSA-N 2 1 317.437 0.520 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000941455500 666003776 /nfs/dbraw/zinc/00/37/76/666003776.db2.gz SOATUDKFJFORCL-MRXNPFEDSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001023447344 657875163 /nfs/dbraw/zinc/87/51/63/657875163.db2.gz LMSLBWAANCUEGI-GJZGRUSLSA-N 2 1 300.406 0.907 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419246 658743444 /nfs/dbraw/zinc/74/34/44/658743444.db2.gz CIQPFSYYDMMESZ-WMZOPIPTSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419246 658743446 /nfs/dbraw/zinc/74/34/46/658743446.db2.gz CIQPFSYYDMMESZ-WMZOPIPTSA-N 2 1 321.465 0.899 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684341 665611356 /nfs/dbraw/zinc/61/13/56/665611356.db2.gz MALZDMHNNSAVRR-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684341 665611357 /nfs/dbraw/zinc/61/13/57/665611357.db2.gz MALZDMHNNSAVRR-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856580 665656943 /nfs/dbraw/zinc/65/69/43/665656943.db2.gz CSRMCJPTWSYNLQ-HQVVEAJESA-N 2 1 319.449 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)COC)C2)CC1 ZINC001009629009 659439368 /nfs/dbraw/zinc/43/93/68/659439368.db2.gz QZGCKQXDKIEXRE-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261747847 661613392 /nfs/dbraw/zinc/61/33/92/661613392.db2.gz LNAIIWKZYJODKR-DZGCQCFKSA-N 2 1 321.469 0.647 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001028643494 661716221 /nfs/dbraw/zinc/71/62/21/661716221.db2.gz OVLPZKFGUPNOQW-CABCVRRESA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799561 661830710 /nfs/dbraw/zinc/83/07/10/661830710.db2.gz CSXOYGLWYGDXOA-HUUCEWRRSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799561 661830711 /nfs/dbraw/zinc/83/07/11/661830711.db2.gz CSXOYGLWYGDXOA-HUUCEWRRSA-N 2 1 300.406 0.825 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028857346 661852866 /nfs/dbraw/zinc/85/28/66/661852866.db2.gz WYQLFFKRPALMPO-CQSZACIVSA-N 2 1 305.426 0.682 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001029001781 661929376 /nfs/dbraw/zinc/92/93/76/661929376.db2.gz CBTBHAZPBAKCBR-INIZCTEOSA-N 2 1 301.434 0.793 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032784583 665822233 /nfs/dbraw/zinc/82/22/33/665822233.db2.gz DBMSHEINCOIURV-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032784583 665822235 /nfs/dbraw/zinc/82/22/35/665822235.db2.gz DBMSHEINCOIURV-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000896568549 662293368 /nfs/dbraw/zinc/29/33/68/662293368.db2.gz NYDYFWQRZXDCIX-GOEBONIOSA-N 2 1 306.454 0.082 20 30 DCEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040135704 662508376 /nfs/dbraw/zinc/50/83/76/662508376.db2.gz ATFWFNZEWPRVLR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040135704 662508377 /nfs/dbraw/zinc/50/83/77/662508377.db2.gz ATFWFNZEWPRVLR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040135704 662508379 /nfs/dbraw/zinc/50/83/79/662508379.db2.gz ATFWFNZEWPRVLR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040135704 662508380 /nfs/dbraw/zinc/50/83/80/662508380.db2.gz ATFWFNZEWPRVLR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042756448 663076704 /nfs/dbraw/zinc/07/67/04/663076704.db2.gz PXIDYFLTGGQKDE-ZBFHGGJFSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042756448 663076705 /nfs/dbraw/zinc/07/67/05/663076705.db2.gz PXIDYFLTGGQKDE-ZBFHGGJFSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)COC)CC1 ZINC001000786938 665935051 /nfs/dbraw/zinc/93/50/51/665935051.db2.gz DIWCYAHVMVCQAM-RDJZCZTQSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H](C)COC)CC1 ZINC001000786938 665935054 /nfs/dbraw/zinc/93/50/54/665935054.db2.gz DIWCYAHVMVCQAM-RDJZCZTQSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)COC)CC1 ZINC001000786938 665935056 /nfs/dbraw/zinc/93/50/56/665935056.db2.gz DIWCYAHVMVCQAM-RDJZCZTQSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@@H](C)COC)CC1 ZINC001000786938 665935058 /nfs/dbraw/zinc/93/50/58/665935058.db2.gz DIWCYAHVMVCQAM-RDJZCZTQSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@@H](C)COC)CC1 ZINC001000786938 665935061 /nfs/dbraw/zinc/93/50/61/665935061.db2.gz DIWCYAHVMVCQAM-RDJZCZTQSA-N 2 1 319.449 0.867 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000900733025 663277013 /nfs/dbraw/zinc/27/70/13/663277013.db2.gz QNUVXOTUIVESKD-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813758 663486800 /nfs/dbraw/zinc/48/68/00/663486800.db2.gz IKUAHDUTPNINPZ-ZDUSSCGKSA-N 2 1 308.426 0.982 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813758 663486802 /nfs/dbraw/zinc/48/68/02/663486802.db2.gz IKUAHDUTPNINPZ-ZDUSSCGKSA-N 2 1 308.426 0.982 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000974698 665969352 /nfs/dbraw/zinc/96/93/52/665969352.db2.gz DGHGRDHSUYUMSH-PQUAAJSLSA-N 2 1 315.417 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000974698 665969354 /nfs/dbraw/zinc/96/93/54/665969354.db2.gz DGHGRDHSUYUMSH-PQUAAJSLSA-N 2 1 315.417 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000974698 665969356 /nfs/dbraw/zinc/96/93/56/665969356.db2.gz DGHGRDHSUYUMSH-PQUAAJSLSA-N 2 1 315.417 0.231 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345358 665978427 /nfs/dbraw/zinc/97/84/27/665978427.db2.gz SPMIIZZIVNLPIC-INIZCTEOSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000908435351 663755172 /nfs/dbraw/zinc/75/51/72/663755172.db2.gz FIAWBMJVCIIMCQ-UHFFFAOYSA-N 2 1 308.470 0.474 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000908435351 663755173 /nfs/dbraw/zinc/75/51/73/663755173.db2.gz FIAWBMJVCIIMCQ-UHFFFAOYSA-N 2 1 308.470 0.474 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000908435351 663755174 /nfs/dbraw/zinc/75/51/74/663755174.db2.gz FIAWBMJVCIIMCQ-UHFFFAOYSA-N 2 1 308.470 0.474 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991357387 664120553 /nfs/dbraw/zinc/12/05/53/664120553.db2.gz FGZCHMLFOPMTRF-KONPQCLYSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991357387 664120554 /nfs/dbraw/zinc/12/05/54/664120554.db2.gz FGZCHMLFOPMTRF-KONPQCLYSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991357387 664120556 /nfs/dbraw/zinc/12/05/56/664120556.db2.gz FGZCHMLFOPMTRF-KONPQCLYSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991357387 664120558 /nfs/dbraw/zinc/12/05/58/664120558.db2.gz FGZCHMLFOPMTRF-KONPQCLYSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000732307798 664912885 /nfs/dbraw/zinc/91/28/85/664912885.db2.gz MYVBKAATUWOZLO-HOTGVXAUSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000732307798 664912886 /nfs/dbraw/zinc/91/28/86/664912886.db2.gz MYVBKAATUWOZLO-HOTGVXAUSA-N 2 1 306.454 0.226 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941566715 666023973 /nfs/dbraw/zinc/02/39/73/666023973.db2.gz KPVLVWTZBZQBFN-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639806 666033218 /nfs/dbraw/zinc/03/32/18/666033218.db2.gz ZBFXAHSKOOQQFX-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941674483 666039019 /nfs/dbraw/zinc/03/90/19/666039019.db2.gz CRGGPZRRZVPSET-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941674483 666039020 /nfs/dbraw/zinc/03/90/20/666039020.db2.gz CRGGPZRRZVPSET-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCOC)CC1 ZINC001001488865 666060379 /nfs/dbraw/zinc/06/03/79/666060379.db2.gz IDZNQUPCBQPKMD-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCOC)CC1 ZINC001001488865 666060381 /nfs/dbraw/zinc/06/03/81/666060381.db2.gz IDZNQUPCBQPKMD-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033280055 666659924 /nfs/dbraw/zinc/65/99/24/666659924.db2.gz ZVFACSLYXBREGT-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033280055 666659926 /nfs/dbraw/zinc/65/99/26/666659926.db2.gz ZVFACSLYXBREGT-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033280055 666659928 /nfs/dbraw/zinc/65/99/28/666659928.db2.gz ZVFACSLYXBREGT-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996185997 666746206 /nfs/dbraw/zinc/74/62/06/666746206.db2.gz IFRHPMCBYULBKC-GJZGRUSLSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996185997 666746208 /nfs/dbraw/zinc/74/62/08/666746208.db2.gz IFRHPMCBYULBKC-GJZGRUSLSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001033683416 666794544 /nfs/dbraw/zinc/79/45/44/666794544.db2.gz HAXGWEPNWRCALK-MRXNPFEDSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997530940 667322872 /nfs/dbraw/zinc/32/28/72/667322872.db2.gz LPOHWRUUBDGQJB-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997530940 667322875 /nfs/dbraw/zinc/32/28/75/667322875.db2.gz LPOHWRUUBDGQJB-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000884202226 667497193 /nfs/dbraw/zinc/49/71/93/667497193.db2.gz UFNXBYWUFVXHDP-INIZCTEOSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000884202226 667497194 /nfs/dbraw/zinc/49/71/94/667497194.db2.gz UFNXBYWUFVXHDP-INIZCTEOSA-N 2 1 322.453 0.494 20 30 DCEDMP C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[N@H+]1C1CC1 ZINC000884233319 667506502 /nfs/dbraw/zinc/50/65/02/667506502.db2.gz NZCIRSYQRDXSAB-TUFIUFKWSA-N 2 1 302.422 0.867 20 30 DCEDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000923427754 667531288 /nfs/dbraw/zinc/53/12/88/667531288.db2.gz VNWKOCVRASICAY-ZMSDIMECSA-N 2 1 301.390 0.839 20 30 DCEDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000923427754 667531291 /nfs/dbraw/zinc/53/12/91/667531291.db2.gz VNWKOCVRASICAY-ZMSDIMECSA-N 2 1 301.390 0.839 20 30 DCEDMP C#C[C@@H]1COCCN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000838475409 667693410 /nfs/dbraw/zinc/69/34/10/667693410.db2.gz CXSBOFPZXNQGGB-HUUCEWRRSA-N 2 1 320.437 0.199 20 30 DCEDMP C#CCN(C(=O)[C@H](C)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000886580872 667778441 /nfs/dbraw/zinc/77/84/41/667778441.db2.gz AROGGMWOIVAADH-HNNXBMFYSA-N 2 1 306.454 0.178 20 30 DCEDMP COCc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000104166272 667963988 /nfs/dbraw/zinc/96/39/88/667963988.db2.gz QSVUVEZQSDJJBF-UHFFFAOYSA-N 2 1 320.437 0.960 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926488886 668409103 /nfs/dbraw/zinc/40/91/03/668409103.db2.gz BNBHJSLANZEQOM-GFCCVEGCSA-N 2 1 314.389 0.822 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926488886 668409104 /nfs/dbraw/zinc/40/91/04/668409104.db2.gz BNBHJSLANZEQOM-GFCCVEGCSA-N 2 1 314.389 0.822 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000876715851 668494083 /nfs/dbraw/zinc/49/40/83/668494083.db2.gz BOQIAUIDFHXJEX-STQMWFEESA-N 2 1 303.834 0.929 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000928650744 668611937 /nfs/dbraw/zinc/61/19/37/668611937.db2.gz HESXNPYIZCJINY-CQSZACIVSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCOCC[NH+](CC)CC)C1 ZINC000888799865 669160535 /nfs/dbraw/zinc/16/05/35/669160535.db2.gz RORWAMHJBZMIDX-MRXNPFEDSA-N 2 1 324.469 0.742 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCOCC[NH+](CC)CC)C1 ZINC000888799865 669160537 /nfs/dbraw/zinc/16/05/37/669160537.db2.gz RORWAMHJBZMIDX-MRXNPFEDSA-N 2 1 324.469 0.742 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000787678206 669387985 /nfs/dbraw/zinc/38/79/85/669387985.db2.gz BRUAPIOHJJBCIP-WBVHZDCISA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000787678206 669387987 /nfs/dbraw/zinc/38/79/87/669387987.db2.gz BRUAPIOHJJBCIP-WBVHZDCISA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000787678206 669387990 /nfs/dbraw/zinc/38/79/90/669387990.db2.gz BRUAPIOHJJBCIP-WBVHZDCISA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000787678206 669387993 /nfs/dbraw/zinc/38/79/93/669387993.db2.gz BRUAPIOHJJBCIP-WBVHZDCISA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841709 670214132 /nfs/dbraw/zinc/21/41/32/670214132.db2.gz CCFQKIVBISJTLB-HZPDHXFCSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841709 670214134 /nfs/dbraw/zinc/21/41/34/670214134.db2.gz CCFQKIVBISJTLB-HZPDHXFCSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841810 670214745 /nfs/dbraw/zinc/21/47/45/670214745.db2.gz FFBBBYJDOYKVGH-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841810 670214748 /nfs/dbraw/zinc/21/47/48/670214748.db2.gz FFBBBYJDOYKVGH-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC000949123402 670264853 /nfs/dbraw/zinc/26/48/53/670264853.db2.gz ANPSRTXZOUVXTD-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCN1CCOC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000949472620 670349201 /nfs/dbraw/zinc/34/92/01/670349201.db2.gz JOIQYFRGCGBYFB-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCO[C@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000822952760 671356974 /nfs/dbraw/zinc/35/69/74/671356974.db2.gz YBVNYMILMBXLFD-HZPDHXFCSA-N 2 1 309.454 0.899 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000834494541 671765025 /nfs/dbraw/zinc/76/50/25/671765025.db2.gz NYDJBXFCHFZYPN-ARFHVFGLSA-N 2 1 313.405 0.521 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303981580 685209627 /nfs/dbraw/zinc/20/96/27/685209627.db2.gz PHEXJGWILQSQKX-CABCVRRESA-N 3 1 310.490 0.011 20 30 DCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CCN(C)CC1 ZINC000303981580 685209630 /nfs/dbraw/zinc/20/96/30/685209630.db2.gz PHEXJGWILQSQKX-CABCVRRESA-N 2 1 310.490 0.011 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CCN(C)CC1 ZINC000303981580 685209636 /nfs/dbraw/zinc/20/96/36/685209636.db2.gz PHEXJGWILQSQKX-CABCVRRESA-N 2 1 310.490 0.011 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214373 687446608 /nfs/dbraw/zinc/44/66/08/687446608.db2.gz GNSVWRBWFPGBQA-LSDHHAIUSA-N 2 1 305.422 0.047 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958266666 687495539 /nfs/dbraw/zinc/49/55/39/687495539.db2.gz BBNDSHCQQAAUCC-UKRRQHHQSA-N 2 1 300.362 0.543 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481144 687694384 /nfs/dbraw/zinc/69/43/84/687694384.db2.gz NLOYMNMPMWNZBJ-IRXDYDNUSA-N 2 1 317.433 0.957 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016684564 692746096 /nfs/dbraw/zinc/74/60/96/692746096.db2.gz DSFHFRVANCWBEL-RBSFLKMASA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016684564 692746099 /nfs/dbraw/zinc/74/60/99/692746099.db2.gz DSFHFRVANCWBEL-RBSFLKMASA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016789252 692771367 /nfs/dbraw/zinc/77/13/67/692771367.db2.gz BPEKGEMSGSYNBY-CVEARBPZSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016789252 692771371 /nfs/dbraw/zinc/77/13/71/692771371.db2.gz BPEKGEMSGSYNBY-CVEARBPZSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760772 694661280 /nfs/dbraw/zinc/66/12/80/694661280.db2.gz NEZXMJKSGFIZRM-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760772 694661281 /nfs/dbraw/zinc/66/12/81/694661281.db2.gz NEZXMJKSGFIZRM-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760772 694661283 /nfs/dbraw/zinc/66/12/83/694661283.db2.gz NEZXMJKSGFIZRM-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760948 694661500 /nfs/dbraw/zinc/66/15/00/694661500.db2.gz WGYHBRCYBMZVQM-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760948 694661501 /nfs/dbraw/zinc/66/15/01/694661501.db2.gz WGYHBRCYBMZVQM-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760948 694661502 /nfs/dbraw/zinc/66/15/02/694661502.db2.gz WGYHBRCYBMZVQM-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605154 694750155 /nfs/dbraw/zinc/75/01/55/694750155.db2.gz BTMHCLUEBSHHLT-SJORKVTESA-N 2 1 319.449 0.559 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076987209 695118407 /nfs/dbraw/zinc/11/84/07/695118407.db2.gz GTICDSQTXFZQQF-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076987209 695118408 /nfs/dbraw/zinc/11/84/08/695118408.db2.gz GTICDSQTXFZQQF-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076987209 695118409 /nfs/dbraw/zinc/11/84/09/695118409.db2.gz GTICDSQTXFZQQF-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001571438770 1162754691 /nfs/dbraw/zinc/75/46/91/1162754691.db2.gz SYQZNWQBFAPLMG-KGLIPLIRSA-N 2 1 306.410 0.397 20 30 DCEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001571440422 1162756316 /nfs/dbraw/zinc/75/63/16/1162756316.db2.gz BJRDWCYFZMMESA-GJZGRUSLSA-N 2 1 320.437 0.787 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001571440532 1162756479 /nfs/dbraw/zinc/75/64/79/1162756479.db2.gz DIOQROZSUPJPAC-XJKSGUPXSA-N 2 1 313.417 0.289 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001571606746 1162857465 /nfs/dbraw/zinc/85/74/65/1162857465.db2.gz UQMKQCORBVIYSR-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001772513512 1157397831 /nfs/dbraw/zinc/39/78/31/1157397831.db2.gz AFJQAXDCRSLOKO-HNNXBMFYSA-N 2 1 311.470 0.739 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001772513512 1157397838 /nfs/dbraw/zinc/39/78/38/1157397838.db2.gz AFJQAXDCRSLOKO-HNNXBMFYSA-N 2 1 311.470 0.739 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001772513512 1157397846 /nfs/dbraw/zinc/39/78/46/1157397846.db2.gz AFJQAXDCRSLOKO-HNNXBMFYSA-N 2 1 311.470 0.739 20 30 DCEDMP C#CCNC(=O)C[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001691183917 1157608781 /nfs/dbraw/zinc/60/87/81/1157608781.db2.gz UETNZUZMXZIULS-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001691183917 1157608783 /nfs/dbraw/zinc/60/87/83/1157608783.db2.gz UETNZUZMXZIULS-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001691183917 1157608785 /nfs/dbraw/zinc/60/87/85/1157608785.db2.gz UETNZUZMXZIULS-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001691183917 1157608786 /nfs/dbraw/zinc/60/87/86/1157608786.db2.gz UETNZUZMXZIULS-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC#CCOC)C1 ZINC001753875152 1158079910 /nfs/dbraw/zinc/07/99/10/1158079910.db2.gz FZFQLWSASZGEFH-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC#CCOC)C1 ZINC001753875152 1158079915 /nfs/dbraw/zinc/07/99/15/1158079915.db2.gz FZFQLWSASZGEFH-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC#CCOC)C1 ZINC001753875152 1158079921 /nfs/dbraw/zinc/07/99/21/1158079921.db2.gz FZFQLWSASZGEFH-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567088570 1160235623 /nfs/dbraw/zinc/23/56/23/1160235623.db2.gz PODRUMIPJLOQFS-OAHLLOKOSA-N 2 1 324.469 0.457 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001567720941 1160465073 /nfs/dbraw/zinc/46/50/73/1160465073.db2.gz PAJUSRALNAOKMA-UHFFFAOYSA-N 2 1 322.497 0.818 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001567720941 1160465076 /nfs/dbraw/zinc/46/50/76/1160465076.db2.gz PAJUSRALNAOKMA-UHFFFAOYSA-N 2 1 322.497 0.818 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567735973 1160469028 /nfs/dbraw/zinc/46/90/28/1160469028.db2.gz HWDORIDRKHEOFU-INIZCTEOSA-N 2 1 321.465 0.758 20 30 DCEDMP CC#CC[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001567751508 1160470180 /nfs/dbraw/zinc/47/01/80/1160470180.db2.gz JIYCAIBGMUWAEJ-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001567751508 1160470181 /nfs/dbraw/zinc/47/01/81/1160470181.db2.gz JIYCAIBGMUWAEJ-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001569755972 1161228509 /nfs/dbraw/zinc/22/85/09/1161228509.db2.gz OCIYCZDIMHSUEI-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001569755972 1161228511 /nfs/dbraw/zinc/22/85/11/1161228511.db2.gz OCIYCZDIMHSUEI-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001569755972 1161228515 /nfs/dbraw/zinc/22/85/15/1161228515.db2.gz OCIYCZDIMHSUEI-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001569878485 1161293058 /nfs/dbraw/zinc/29/30/58/1161293058.db2.gz AZJDSIGVTPADIC-IYBDPMFKSA-N 2 1 319.449 0.368 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001570217037 1161496268 /nfs/dbraw/zinc/49/62/68/1161496268.db2.gz VXIWTVGXPBVRQL-AWEZNQCLSA-N 2 1 310.442 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001570217037 1161496286 /nfs/dbraw/zinc/49/62/86/1161496286.db2.gz VXIWTVGXPBVRQL-AWEZNQCLSA-N 2 1 310.442 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001570217037 1161496293 /nfs/dbraw/zinc/49/62/93/1161496293.db2.gz VXIWTVGXPBVRQL-AWEZNQCLSA-N 2 1 310.442 0.021 20 30 DCEDMP C=CC1(CC(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)C[NH2+]C1 ZINC001574879448 1163782737 /nfs/dbraw/zinc/78/27/37/1163782737.db2.gz AILOWYGSMDFCLS-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CC[NH+](C)Cc1cc(C[N@@H+](C)CC#C)cc(-c2nn[nH]n2)c1 ZINC001588349223 1166539909 /nfs/dbraw/zinc/53/99/09/1166539909.db2.gz IKTBQWORHDOSIV-UHFFFAOYSA-N 2 1 308.389 0.997 20 30 DCEDMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)[C@H]2C1 ZINC001646841591 1172560434 /nfs/dbraw/zinc/56/04/34/1172560434.db2.gz QWWNNMIKYVYOSB-VMTBSFNOSA-N 2 1 302.422 0.582 20 30 DCEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001673264394 1173917029 /nfs/dbraw/zinc/91/70/29/1173917029.db2.gz QUIOLRSAFSLTKV-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001673264394 1173917031 /nfs/dbraw/zinc/91/70/31/1173917031.db2.gz QUIOLRSAFSLTKV-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662686066 1174231252 /nfs/dbraw/zinc/23/12/52/1174231252.db2.gz VQFNFQRULLHVFJ-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001663275983 1174281995 /nfs/dbraw/zinc/28/19/95/1174281995.db2.gz BKAOEGFCFFBVTK-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001663275983 1174281998 /nfs/dbraw/zinc/28/19/98/1174281998.db2.gz BKAOEGFCFFBVTK-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1=O ZINC001663275983 1174282005 /nfs/dbraw/zinc/28/20/05/1174282005.db2.gz BKAOEGFCFFBVTK-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1=O ZINC001663275983 1174282008 /nfs/dbraw/zinc/28/20/08/1174282008.db2.gz BKAOEGFCFFBVTK-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001663363201 1174290435 /nfs/dbraw/zinc/29/04/35/1174290435.db2.gz BOUKEZFZTLQTEP-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001663628557 1174335689 /nfs/dbraw/zinc/33/56/89/1174335689.db2.gz DCQMZUXVENPJGH-QGZVFWFLSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)Cn2cc[nH+]c2C)C1=O ZINC001664369656 1174426948 /nfs/dbraw/zinc/42/69/48/1174426948.db2.gz GSKHRBLAJDDVNA-AWEZNQCLSA-N 2 1 319.409 0.026 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)Cn2cncc2C)C1 ZINC001664726359 1174453146 /nfs/dbraw/zinc/45/31/46/1174453146.db2.gz IVXFIFIHGMRZMS-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001664726359 1174453149 /nfs/dbraw/zinc/45/31/49/1174453149.db2.gz IVXFIFIHGMRZMS-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001664726359 1174453151 /nfs/dbraw/zinc/45/31/51/1174453151.db2.gz IVXFIFIHGMRZMS-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001664853193 1174466524 /nfs/dbraw/zinc/46/65/24/1174466524.db2.gz GXVVXCCRZCBBLZ-JKSUJKDBSA-N 2 1 307.438 0.368 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCOCC1 ZINC001666563064 1174610376 /nfs/dbraw/zinc/61/03/76/1174610376.db2.gz GUXGSSINWXWOAW-WBVHZDCISA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCOCC1 ZINC001666563064 1174610380 /nfs/dbraw/zinc/61/03/80/1174610380.db2.gz GUXGSSINWXWOAW-WBVHZDCISA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCOCC1 ZINC001671934905 1175046036 /nfs/dbraw/zinc/04/60/36/1175046036.db2.gz NTTNAADOFOPVKH-LSDHHAIUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001672294201 1175097820 /nfs/dbraw/zinc/09/78/20/1175097820.db2.gz QSPMMLZVHQRXNZ-QWHCGFSZSA-N 2 1 304.394 0.667 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CC)CC1 ZINC001672455804 1175109297 /nfs/dbraw/zinc/10/92/97/1175109297.db2.gz PFMHXVWLUIKJMT-INIZCTEOSA-N 2 1 306.454 0.274 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CC)CC1 ZINC001672455804 1175109302 /nfs/dbraw/zinc/10/93/02/1175109302.db2.gz PFMHXVWLUIKJMT-INIZCTEOSA-N 2 1 306.454 0.274 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001672503451 1175120138 /nfs/dbraw/zinc/12/01/38/1175120138.db2.gz MNLJSKYXLPTSQF-MRXNPFEDSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001672503451 1175120142 /nfs/dbraw/zinc/12/01/42/1175120142.db2.gz MNLJSKYXLPTSQF-MRXNPFEDSA-N 2 1 304.394 0.158 20 30 DCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001674075025 1175251431 /nfs/dbraw/zinc/25/14/31/1175251431.db2.gz GFZLQZUCCKOJHX-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001674339977 1175270340 /nfs/dbraw/zinc/27/03/40/1175270340.db2.gz ZQCASIPYGNHLKQ-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001674339977 1175270346 /nfs/dbraw/zinc/27/03/46/1175270346.db2.gz ZQCASIPYGNHLKQ-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001674339977 1175270348 /nfs/dbraw/zinc/27/03/48/1175270348.db2.gz ZQCASIPYGNHLKQ-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001674339977 1175270352 /nfs/dbraw/zinc/27/03/52/1175270352.db2.gz ZQCASIPYGNHLKQ-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001675708808 1175386714 /nfs/dbraw/zinc/38/67/14/1175386714.db2.gz ZVJNTIXGOYHRTH-HZPDHXFCSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2nccn2C1 ZINC001676113737 1175422207 /nfs/dbraw/zinc/42/22/07/1175422207.db2.gz BDPBYBSRODZUOX-AWEZNQCLSA-N 2 1 306.410 0.696 20 30 DCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001677519626 1175574449 /nfs/dbraw/zinc/57/44/49/1175574449.db2.gz IGEMRSYXBGGUOD-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001685771935 1176041794 /nfs/dbraw/zinc/04/17/94/1176041794.db2.gz AIUKAEGYVHSEIB-INIZCTEOSA-N 2 1 306.454 0.925 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001689203804 1176739513 /nfs/dbraw/zinc/73/95/13/1176739513.db2.gz BRECOZDIVPNGGU-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001689203804 1176739516 /nfs/dbraw/zinc/73/95/16/1176739516.db2.gz BRECOZDIVPNGGU-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001689203804 1176739518 /nfs/dbraw/zinc/73/95/18/1176739518.db2.gz BRECOZDIVPNGGU-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001690336960 1177216674 /nfs/dbraw/zinc/21/66/74/1177216674.db2.gz YDZYGURMYKIDIX-XHSDSOJGSA-N 2 1 307.438 0.746 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001692351817 1177491399 /nfs/dbraw/zinc/49/13/99/1177491399.db2.gz CFELWAWQPCTUCM-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001698570408 1177563426 /nfs/dbraw/zinc/56/34/26/1177563426.db2.gz UJKNRYDQQMLZBC-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001698570408 1177563430 /nfs/dbraw/zinc/56/34/30/1177563430.db2.gz UJKNRYDQQMLZBC-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001698966806 1177741409 /nfs/dbraw/zinc/74/14/09/1177741409.db2.gz CWHYQXXIGCADAF-OAHLLOKOSA-N 2 1 306.410 0.572 20 30 DCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001699219681 1177951257 /nfs/dbraw/zinc/95/12/57/1177951257.db2.gz GDKCUFFIJHLUCK-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1conc1CC ZINC001699407275 1178123327 /nfs/dbraw/zinc/12/33/27/1178123327.db2.gz LMNBCCWFNDDFTB-BBRMVZONSA-N 2 1 318.421 0.929 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1conc1CC ZINC001699407275 1178123334 /nfs/dbraw/zinc/12/33/34/1178123334.db2.gz LMNBCCWFNDDFTB-BBRMVZONSA-N 2 1 318.421 0.929 20 30 DCEDMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CCOC)CC1 ZINC001699780725 1178285980 /nfs/dbraw/zinc/28/59/80/1178285980.db2.gz PZXLXAOOMAJAAI-UHFFFAOYSA-N 2 1 318.421 0.764 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001699808516 1178291176 /nfs/dbraw/zinc/29/11/76/1178291176.db2.gz LYWRXYQIJYAARF-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001699898081 1178347571 /nfs/dbraw/zinc/34/75/71/1178347571.db2.gz LNRAEDLTACJINJ-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001699898081 1178347582 /nfs/dbraw/zinc/34/75/82/1178347582.db2.gz LNRAEDLTACJINJ-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001699898081 1178347606 /nfs/dbraw/zinc/34/76/06/1178347606.db2.gz LNRAEDLTACJINJ-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001699899206 1178352176 /nfs/dbraw/zinc/35/21/76/1178352176.db2.gz VFUHVZMUWYJGQZ-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001699990513 1178409827 /nfs/dbraw/zinc/40/98/27/1178409827.db2.gz CNGDBOASEIDYIY-IYBDPMFKSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001699990513 1178409830 /nfs/dbraw/zinc/40/98/30/1178409830.db2.gz CNGDBOASEIDYIY-IYBDPMFKSA-N 2 1 309.454 0.921 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001699998572 1178415069 /nfs/dbraw/zinc/41/50/69/1178415069.db2.gz JBVRMGIMRVEBCC-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001699998572 1178415074 /nfs/dbraw/zinc/41/50/74/1178415074.db2.gz JBVRMGIMRVEBCC-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001699998572 1178415078 /nfs/dbraw/zinc/41/50/78/1178415078.db2.gz JBVRMGIMRVEBCC-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001699998572 1178415082 /nfs/dbraw/zinc/41/50/82/1178415082.db2.gz JBVRMGIMRVEBCC-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001700159558 1178506223 /nfs/dbraw/zinc/50/62/23/1178506223.db2.gz IFVDTPDVJIYPMS-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001707165288 1180425733 /nfs/dbraw/zinc/42/57/33/1180425733.db2.gz JNFYEUIFKHHXQE-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001707165288 1180425737 /nfs/dbraw/zinc/42/57/37/1180425737.db2.gz JNFYEUIFKHHXQE-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001707209303 1180435122 /nfs/dbraw/zinc/43/51/22/1180435122.db2.gz QPMNGJIZDFXLGF-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001707209303 1180435128 /nfs/dbraw/zinc/43/51/28/1180435128.db2.gz QPMNGJIZDFXLGF-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001707209303 1180435131 /nfs/dbraw/zinc/43/51/31/1180435131.db2.gz QPMNGJIZDFXLGF-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001707260294 1180449897 /nfs/dbraw/zinc/44/98/97/1180449897.db2.gz VECVVYGFPBXTIY-HIFRSBDPSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001707260294 1180449898 /nfs/dbraw/zinc/44/98/98/1180449898.db2.gz VECVVYGFPBXTIY-HIFRSBDPSA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713234847 1180731169 /nfs/dbraw/zinc/73/11/69/1180731169.db2.gz WNELEIJTDWFMGH-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001713728694 1181031891 /nfs/dbraw/zinc/03/18/91/1181031891.db2.gz QYYBRTURQHFZHT-HNNXBMFYSA-N 2 1 317.437 0.520 20 30 DCEDMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714049784 1181226257 /nfs/dbraw/zinc/22/62/57/1181226257.db2.gz KRBNBTCAABZPKX-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001714049784 1181226262 /nfs/dbraw/zinc/22/62/62/1181226262.db2.gz KRBNBTCAABZPKX-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001714049784 1181226270 /nfs/dbraw/zinc/22/62/70/1181226270.db2.gz KRBNBTCAABZPKX-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714631685 1181451601 /nfs/dbraw/zinc/45/16/01/1181451601.db2.gz HSPYQBAXUHDSJP-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714631685 1181451605 /nfs/dbraw/zinc/45/16/05/1181451605.db2.gz HSPYQBAXUHDSJP-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714631685 1181451610 /nfs/dbraw/zinc/45/16/10/1181451610.db2.gz HSPYQBAXUHDSJP-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001714637388 1181456101 /nfs/dbraw/zinc/45/61/01/1181456101.db2.gz WVQFQHBBMFUWBY-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001714637388 1181456104 /nfs/dbraw/zinc/45/61/04/1181456104.db2.gz WVQFQHBBMFUWBY-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001714637388 1181456107 /nfs/dbraw/zinc/45/61/07/1181456107.db2.gz WVQFQHBBMFUWBY-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001715333512 1181777644 /nfs/dbraw/zinc/77/76/44/1181777644.db2.gz AGGUXLOQHYUVBB-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001715493943 1181829577 /nfs/dbraw/zinc/82/95/77/1181829577.db2.gz LMAVHGKBFRPCON-BZUAXINKSA-N 2 1 309.454 0.707 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716061706 1182168887 /nfs/dbraw/zinc/16/88/87/1182168887.db2.gz AMYQZQKIBUNATJ-RDJZCZTQSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001716098651 1182189144 /nfs/dbraw/zinc/18/91/44/1182189144.db2.gz HVDDMYHCPUOVHM-ZFWWWQNUSA-N 2 1 306.410 0.397 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC#CCOC)C1CC1 ZINC001716632010 1182471071 /nfs/dbraw/zinc/47/10/71/1182471071.db2.gz SLVZTRZJQRPSTN-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C[N@@H+](CC(=O)NCC[NH+]1CCC(NCC#N)CC1)CC(C)(C)C ZINC001717017827 1182625107 /nfs/dbraw/zinc/62/51/07/1182625107.db2.gz NWYPGRWMKKYBLV-UHFFFAOYSA-N 2 1 323.485 0.658 20 30 DCEDMP C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001717375000 1182807426 /nfs/dbraw/zinc/80/74/26/1182807426.db2.gz YFYMHRBMDKZRBP-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001717375000 1182807433 /nfs/dbraw/zinc/80/74/33/1182807433.db2.gz YFYMHRBMDKZRBP-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001717375000 1182807440 /nfs/dbraw/zinc/80/74/40/1182807440.db2.gz YFYMHRBMDKZRBP-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001717375000 1182807451 /nfs/dbraw/zinc/80/74/51/1182807451.db2.gz YFYMHRBMDKZRBP-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001717375000 1182807456 /nfs/dbraw/zinc/80/74/56/1182807456.db2.gz YFYMHRBMDKZRBP-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001717394092 1182818189 /nfs/dbraw/zinc/81/81/89/1182818189.db2.gz XQEPAZNVWMLPEU-NFOMZHRRSA-N 2 1 322.453 0.115 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCOCC)C1 ZINC001717551159 1182893992 /nfs/dbraw/zinc/89/39/92/1182893992.db2.gz NJZPVNMLNUPWEJ-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCOCC)C1 ZINC001717551159 1182894000 /nfs/dbraw/zinc/89/40/00/1182894000.db2.gz NJZPVNMLNUPWEJ-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001717918385 1183059296 /nfs/dbraw/zinc/05/92/96/1183059296.db2.gz KQNHBZVYEIMGHP-JKSUJKDBSA-N 2 1 307.438 0.436 20 30 DCEDMP C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001717942078 1183082628 /nfs/dbraw/zinc/08/26/28/1183082628.db2.gz JZHYNMSNSUPVBA-HNNXBMFYSA-N 2 1 308.426 0.909 20 30 DCEDMP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001717942078 1183082633 /nfs/dbraw/zinc/08/26/33/1183082633.db2.gz JZHYNMSNSUPVBA-HNNXBMFYSA-N 2 1 308.426 0.909 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001722992182 1184242617 /nfs/dbraw/zinc/24/26/17/1184242617.db2.gz TUJHYGFUZFJNAU-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001724423367 1184438792 /nfs/dbraw/zinc/43/87/92/1184438792.db2.gz ZBIMOQLHWPUPRG-SFHVURJKSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001725245939 1184734711 /nfs/dbraw/zinc/73/47/11/1184734711.db2.gz FCVNNLHQDKIYAG-RHSMWYFYSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCOC)C1 ZINC001732048254 1185646361 /nfs/dbraw/zinc/64/63/61/1185646361.db2.gz DOXMTIHPQXAZOH-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCOC)C1 ZINC001732048254 1185646365 /nfs/dbraw/zinc/64/63/65/1185646365.db2.gz DOXMTIHPQXAZOH-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCOC)C1 ZINC001732048254 1185646370 /nfs/dbraw/zinc/64/63/70/1185646370.db2.gz DOXMTIHPQXAZOH-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCOC)C1 ZINC001732048254 1185646377 /nfs/dbraw/zinc/64/63/77/1185646377.db2.gz DOXMTIHPQXAZOH-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCOC)C1 ZINC001732048255 1185647472 /nfs/dbraw/zinc/64/74/72/1185647472.db2.gz DOXMTIHPQXAZOH-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCOC)C1 ZINC001732048255 1185647473 /nfs/dbraw/zinc/64/74/73/1185647473.db2.gz DOXMTIHPQXAZOH-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCOC)C1 ZINC001732048255 1185647477 /nfs/dbraw/zinc/64/74/77/1185647477.db2.gz DOXMTIHPQXAZOH-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCOC)C1 ZINC001732048255 1185647483 /nfs/dbraw/zinc/64/74/83/1185647483.db2.gz DOXMTIHPQXAZOH-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001733172577 1186169151 /nfs/dbraw/zinc/16/91/51/1186169151.db2.gz HCVUWKZMUMIJTI-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001733485692 1186294326 /nfs/dbraw/zinc/29/43/26/1186294326.db2.gz UTQWMWFAYYGGDE-GOSISDBHSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001733485692 1186294333 /nfs/dbraw/zinc/29/43/33/1186294333.db2.gz UTQWMWFAYYGGDE-GOSISDBHSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001733485692 1186294337 /nfs/dbraw/zinc/29/43/37/1186294337.db2.gz UTQWMWFAYYGGDE-GOSISDBHSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001733486232 1186294984 /nfs/dbraw/zinc/29/49/84/1186294984.db2.gz GJIYNONFPITBAV-GOSISDBHSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733495765 1186304371 /nfs/dbraw/zinc/30/43/71/1186304371.db2.gz PYWVWKWEXCXBAS-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC=C)C1 ZINC001733737866 1186422972 /nfs/dbraw/zinc/42/29/72/1186422972.db2.gz DTOLTLYLUYGRSN-HOTGVXAUSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC=C)C1 ZINC001733737866 1186422978 /nfs/dbraw/zinc/42/29/78/1186422978.db2.gz DTOLTLYLUYGRSN-HOTGVXAUSA-N 2 1 305.422 0.477 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001733885382 1186485783 /nfs/dbraw/zinc/48/57/83/1186485783.db2.gz KNFCQWQTCMLOLC-UHFFFAOYSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001734076439 1186541410 /nfs/dbraw/zinc/54/14/10/1186541410.db2.gz CJUXHFFGTROEAI-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001734076439 1186541414 /nfs/dbraw/zinc/54/14/14/1186541414.db2.gz CJUXHFFGTROEAI-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001734173856 1186567888 /nfs/dbraw/zinc/56/78/88/1186567888.db2.gz KMNOGYUTCBRCHV-LUKYLMHMSA-N 2 1 321.465 0.825 20 30 DCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001734252312 1186592934 /nfs/dbraw/zinc/59/29/34/1186592934.db2.gz GTCZAVZYIOEPJX-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001734294734 1186608906 /nfs/dbraw/zinc/60/89/06/1186608906.db2.gz FOTMZAAOSRAOLI-GJZGRUSLSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)CCO)C(C)C)CC1 ZINC001734553681 1186688886 /nfs/dbraw/zinc/68/88/86/1186688886.db2.gz VUVMEXZMRRXJDI-UHFFFAOYSA-N 2 1 309.454 0.493 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)CC#CCOC ZINC001753082311 1188493154 /nfs/dbraw/zinc/49/31/54/1188493154.db2.gz FYBFEPCNSAYMOQ-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)CC#CCOC ZINC001753082311 1188493156 /nfs/dbraw/zinc/49/31/56/1188493156.db2.gz FYBFEPCNSAYMOQ-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)CC#CCOC ZINC001753082311 1188493157 /nfs/dbraw/zinc/49/31/57/1188493157.db2.gz FYBFEPCNSAYMOQ-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)CC#CCOC ZINC001753082311 1188493158 /nfs/dbraw/zinc/49/31/58/1188493158.db2.gz FYBFEPCNSAYMOQ-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001753511575 1188612473 /nfs/dbraw/zinc/61/24/73/1188612473.db2.gz IKDUWWXDBIZBQI-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nocc1C ZINC001753618943 1188625108 /nfs/dbraw/zinc/62/51/08/1188625108.db2.gz RUDLAIAQYJNGHV-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nocc1C ZINC001753618943 1188625113 /nfs/dbraw/zinc/62/51/13/1188625113.db2.gz RUDLAIAQYJNGHV-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCn1cccn1 ZINC001753855007 1188666482 /nfs/dbraw/zinc/66/64/82/1188666482.db2.gz IEFIODSGJVELGN-INIZCTEOSA-N 2 1 317.437 0.371 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCn1cccn1 ZINC001753855007 1188666483 /nfs/dbraw/zinc/66/64/83/1188666483.db2.gz IEFIODSGJVELGN-INIZCTEOSA-N 2 1 317.437 0.371 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCn1cccn1 ZINC001753855007 1188666485 /nfs/dbraw/zinc/66/64/85/1188666485.db2.gz IEFIODSGJVELGN-INIZCTEOSA-N 2 1 317.437 0.371 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCn1cccn1 ZINC001753855007 1188666487 /nfs/dbraw/zinc/66/64/87/1188666487.db2.gz IEFIODSGJVELGN-INIZCTEOSA-N 2 1 317.437 0.371 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nc1C ZINC001754270785 1188804363 /nfs/dbraw/zinc/80/43/63/1188804363.db2.gz PQZKFUNUQJBQJO-BBRMVZONSA-N 2 1 317.437 0.420 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nc1C ZINC001754270785 1188804368 /nfs/dbraw/zinc/80/43/68/1188804368.db2.gz PQZKFUNUQJBQJO-BBRMVZONSA-N 2 1 317.437 0.420 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001754460480 1188856950 /nfs/dbraw/zinc/85/69/50/1188856950.db2.gz UBZAWYBDKNHOBU-OAHLLOKOSA-N 2 1 304.394 0.326 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001754761884 1188927467 /nfs/dbraw/zinc/92/74/67/1188927467.db2.gz FFKYCZVULBRISZ-QGZVFWFLSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001754850152 1188948543 /nfs/dbraw/zinc/94/85/43/1188948543.db2.gz VSRBSOQMVTWNJE-INIZCTEOSA-N 2 1 320.481 0.522 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001755544051 1189143810 /nfs/dbraw/zinc/14/38/10/1189143810.db2.gz IEMXEAIIZIVCNN-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001755544051 1189143812 /nfs/dbraw/zinc/14/38/12/1189143812.db2.gz IEMXEAIIZIVCNN-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001755544051 1189143813 /nfs/dbraw/zinc/14/38/13/1189143813.db2.gz IEMXEAIIZIVCNN-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001755644643 1189173116 /nfs/dbraw/zinc/17/31/16/1189173116.db2.gz ASDAXSZQQMMKKB-KRWDZBQOSA-N 2 1 317.433 0.447 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CCC)CC1 ZINC001755807563 1189225704 /nfs/dbraw/zinc/22/57/04/1189225704.db2.gz ILJYRWNUOFZWDJ-MRXNPFEDSA-N 2 1 309.454 0.493 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107012025 751751612 /nfs/dbraw/zinc/75/16/12/751751612.db2.gz HHBBUAWOCKDTJA-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107012025 751751614 /nfs/dbraw/zinc/75/16/14/751751614.db2.gz HHBBUAWOCKDTJA-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083781690 751788492 /nfs/dbraw/zinc/78/84/92/751788492.db2.gz RULVFGQRDBONSS-BMFZPTHFSA-N 2 1 318.421 0.491 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083781690 751788493 /nfs/dbraw/zinc/78/84/93/751788493.db2.gz RULVFGQRDBONSS-BMFZPTHFSA-N 2 1 318.421 0.491 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040053 751789521 /nfs/dbraw/zinc/78/95/21/751789521.db2.gz BJWZONGJUHXKPS-HZPDHXFCSA-N 2 1 309.454 0.661 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192662 746970919 /nfs/dbraw/zinc/97/09/19/746970919.db2.gz KSFMFAMKKJLKFC-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192662 746970923 /nfs/dbraw/zinc/97/09/23/746970923.db2.gz KSFMFAMKKJLKFC-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192662 746970925 /nfs/dbraw/zinc/97/09/25/746970925.db2.gz KSFMFAMKKJLKFC-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192662 746970929 /nfs/dbraw/zinc/97/09/29/746970929.db2.gz KSFMFAMKKJLKFC-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3ccnc3)[C@H]2C1 ZINC001083209826 747159945 /nfs/dbraw/zinc/15/99/45/747159945.db2.gz XMKIXUFHEFVWIK-HRCADAONSA-N 2 1 316.405 0.769 20 30 DCEDMP C#CCCN1C[C@H]2OCCN(C(=O)C[C@H](C)n3ccnc3)[C@H]2C1 ZINC001083209826 747159948 /nfs/dbraw/zinc/15/99/48/747159948.db2.gz XMKIXUFHEFVWIK-HRCADAONSA-N 2 1 316.405 0.769 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275558 747710796 /nfs/dbraw/zinc/71/07/96/747710796.db2.gz KUFKKZHHCWZFAH-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104582367 747793852 /nfs/dbraw/zinc/79/38/52/747793852.db2.gz XLESPLZHCFOESZ-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104582367 747793860 /nfs/dbraw/zinc/79/38/60/747793860.db2.gz XLESPLZHCFOESZ-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700807 749023984 /nfs/dbraw/zinc/02/39/84/749023984.db2.gz ZFWMXAUJGLEDKU-XHSDSOJGSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700807 749023988 /nfs/dbraw/zinc/02/39/88/749023988.db2.gz ZFWMXAUJGLEDKU-XHSDSOJGSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700807 749023993 /nfs/dbraw/zinc/02/39/93/749023993.db2.gz ZFWMXAUJGLEDKU-XHSDSOJGSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700807 749023995 /nfs/dbraw/zinc/02/39/95/749023995.db2.gz ZFWMXAUJGLEDKU-XHSDSOJGSA-N 2 1 307.438 0.698 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836848 749076382 /nfs/dbraw/zinc/07/63/82/749076382.db2.gz KIZGQARDIGZYJI-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836848 749076387 /nfs/dbraw/zinc/07/63/87/749076387.db2.gz KIZGQARDIGZYJI-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836848 749076392 /nfs/dbraw/zinc/07/63/92/749076392.db2.gz KIZGQARDIGZYJI-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836848 749076399 /nfs/dbraw/zinc/07/63/99/749076399.db2.gz KIZGQARDIGZYJI-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)nn1 ZINC001098728583 749349295 /nfs/dbraw/zinc/34/92/95/749349295.db2.gz RVIWMBFXQWNWHA-GJZGRUSLSA-N 2 1 320.441 0.667 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462071 761944701 /nfs/dbraw/zinc/94/47/01/761944701.db2.gz FQGJUYLPPRZVPV-UHFFFAOYSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168369524 750414017 /nfs/dbraw/zinc/41/40/17/750414017.db2.gz VMAQYFVAOVOSKN-UHFFFAOYSA-N 2 1 321.425 0.370 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291184 750622993 /nfs/dbraw/zinc/62/29/93/750622993.db2.gz AIYKCKAHSSAJMK-UXLLHSPISA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291184 750623000 /nfs/dbraw/zinc/62/30/00/750623000.db2.gz AIYKCKAHSSAJMK-UXLLHSPISA-N 2 1 305.422 0.169 20 30 DCEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203505209 751097362 /nfs/dbraw/zinc/09/73/62/751097362.db2.gz BWUMVRBJLZPCQX-JKSUJKDBSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089907794 752588008 /nfs/dbraw/zinc/58/80/08/752588008.db2.gz OMCNPFURBWUFHQ-NXOAAHMSSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089907794 752588014 /nfs/dbraw/zinc/58/80/14/752588014.db2.gz OMCNPFURBWUFHQ-NXOAAHMSSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430120 752888819 /nfs/dbraw/zinc/88/88/19/752888819.db2.gz BCKGNNMSGSESMM-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430120 752888828 /nfs/dbraw/zinc/88/88/28/752888828.db2.gz BCKGNNMSGSESMM-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430120 752888837 /nfs/dbraw/zinc/88/88/37/752888837.db2.gz BCKGNNMSGSESMM-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010129 753412450 /nfs/dbraw/zinc/41/24/50/753412450.db2.gz JALBDZPRZPLNOC-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010129 753412453 /nfs/dbraw/zinc/41/24/53/753412453.db2.gz JALBDZPRZPLNOC-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010129 753412455 /nfs/dbraw/zinc/41/24/55/753412455.db2.gz JALBDZPRZPLNOC-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010071 753412703 /nfs/dbraw/zinc/41/27/03/753412703.db2.gz HSSUCKWYKUFPFH-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010071 753412705 /nfs/dbraw/zinc/41/27/05/753412705.db2.gz HSSUCKWYKUFPFH-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046010071 753412707 /nfs/dbraw/zinc/41/27/07/753412707.db2.gz HSSUCKWYKUFPFH-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046037596 753440471 /nfs/dbraw/zinc/44/04/71/753440471.db2.gz UFYJFJBZUKLENV-IRXDYDNUSA-N 2 1 322.497 0.977 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064347 753458729 /nfs/dbraw/zinc/45/87/29/753458729.db2.gz LKNCGBWXKQQODZ-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064347 753458731 /nfs/dbraw/zinc/45/87/31/753458731.db2.gz LKNCGBWXKQQODZ-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064347 753458735 /nfs/dbraw/zinc/45/87/35/753458735.db2.gz LKNCGBWXKQQODZ-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833583 753963628 /nfs/dbraw/zinc/96/36/28/753963628.db2.gz KCHARBJJVXZZSL-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCOC)C2)CC1 ZINC001046849812 753979617 /nfs/dbraw/zinc/97/96/17/753979617.db2.gz JKXMKJIHKFSOKQ-QGZVFWFLSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001047577590 754405377 /nfs/dbraw/zinc/40/53/77/754405377.db2.gz QAFWMOWXPMBXHA-HOTGVXAUSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047584464 754411576 /nfs/dbraw/zinc/41/15/76/754411576.db2.gz SWWTWONUCLLZBK-IRXDYDNUSA-N 2 1 321.465 0.634 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001048515100 754786453 /nfs/dbraw/zinc/78/64/53/754786453.db2.gz TVIKRQYMQHTRGW-FZKCQIBNSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001048515100 754786457 /nfs/dbraw/zinc/78/64/57/754786457.db2.gz TVIKRQYMQHTRGW-FZKCQIBNSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048515100 754786460 /nfs/dbraw/zinc/78/64/60/754786460.db2.gz TVIKRQYMQHTRGW-FZKCQIBNSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048515100 754786463 /nfs/dbraw/zinc/78/64/63/754786463.db2.gz TVIKRQYMQHTRGW-FZKCQIBNSA-N 2 1 307.438 0.862 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCO)C2)CC1 ZINC001072095018 762352648 /nfs/dbraw/zinc/35/26/48/762352648.db2.gz DZJDDCHFCOTPED-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222713 755190339 /nfs/dbraw/zinc/19/03/39/755190339.db2.gz RXPUPZTZNGOULJ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222713 755190343 /nfs/dbraw/zinc/19/03/43/755190343.db2.gz RXPUPZTZNGOULJ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222713 755190348 /nfs/dbraw/zinc/19/03/48/755190348.db2.gz RXPUPZTZNGOULJ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222713 755190350 /nfs/dbraw/zinc/19/03/50/755190350.db2.gz RXPUPZTZNGOULJ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC001080998120 756417460 /nfs/dbraw/zinc/41/74/60/756417460.db2.gz SZIWDTQFPBHPAD-IJEWVQPXSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392913 757376074 /nfs/dbraw/zinc/37/60/74/757376074.db2.gz XMPSZHVZZTZIKF-LSDHHAIUSA-N 2 1 305.422 0.190 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083086023 757486141 /nfs/dbraw/zinc/48/61/41/757486141.db2.gz ZRIXUDPWYZFTEN-LVQVYYBASA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083086023 757486143 /nfs/dbraw/zinc/48/61/43/757486143.db2.gz ZRIXUDPWYZFTEN-LVQVYYBASA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083086023 757486146 /nfs/dbraw/zinc/48/61/46/757486146.db2.gz ZRIXUDPWYZFTEN-LVQVYYBASA-N 2 1 305.422 0.262 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995975 759097263 /nfs/dbraw/zinc/09/72/63/759097263.db2.gz IBISDZBXAMNPPZ-HZPDHXFCSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995975 759097270 /nfs/dbraw/zinc/09/72/70/759097270.db2.gz IBISDZBXAMNPPZ-HZPDHXFCSA-N 2 1 306.454 0.485 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098405992 759697804 /nfs/dbraw/zinc/69/78/04/759697804.db2.gz ALJWZDXBKCYDCH-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001098405992 759697810 /nfs/dbraw/zinc/69/78/10/759697810.db2.gz ALJWZDXBKCYDCH-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001098405992 759697817 /nfs/dbraw/zinc/69/78/17/759697817.db2.gz ALJWZDXBKCYDCH-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001086389587 760126352 /nfs/dbraw/zinc/12/63/52/760126352.db2.gz RUDCJXYYRPOVDF-VQHPVUNQSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001086389587 760126358 /nfs/dbraw/zinc/12/63/58/760126358.db2.gz RUDCJXYYRPOVDF-VQHPVUNQSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098430620 760126520 /nfs/dbraw/zinc/12/65/20/760126520.db2.gz UAXIINMGEHBUCH-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098430620 760126525 /nfs/dbraw/zinc/12/65/25/760126525.db2.gz UAXIINMGEHBUCH-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124268 760441183 /nfs/dbraw/zinc/44/11/83/760441183.db2.gz FUMHUZSYVNTQMM-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070435234 761236538 /nfs/dbraw/zinc/23/65/38/761236538.db2.gz AFEPOKCUCDYEQD-ZIAGYGMSSA-N 2 1 317.437 0.953 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070435234 761236541 /nfs/dbraw/zinc/23/65/41/761236541.db2.gz AFEPOKCUCDYEQD-ZIAGYGMSSA-N 2 1 317.437 0.953 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070435234 761236544 /nfs/dbraw/zinc/23/65/44/761236544.db2.gz AFEPOKCUCDYEQD-ZIAGYGMSSA-N 2 1 317.437 0.953 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563707 761318487 /nfs/dbraw/zinc/31/84/87/761318487.db2.gz HPIWJJOAFNFJGP-IJEWVQPXSA-N 2 1 317.437 0.442 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109404624 761400334 /nfs/dbraw/zinc/40/03/34/761400334.db2.gz FADYIJZHVJPXBN-QZWWFDLISA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109404624 761400335 /nfs/dbraw/zinc/40/03/35/761400335.db2.gz FADYIJZHVJPXBN-QZWWFDLISA-N 2 1 319.449 0.698 20 30 DCEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227224 761724274 /nfs/dbraw/zinc/72/42/74/761724274.db2.gz BEBRBZCLTBPNLP-QAPCUYQASA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099592674 762908604 /nfs/dbraw/zinc/90/86/04/762908604.db2.gz HTZFWOZQGGDXPV-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099592674 762908606 /nfs/dbraw/zinc/90/86/06/762908606.db2.gz HTZFWOZQGGDXPV-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCCN[C@@H](C)c1cnccn1 ZINC001129770270 763007573 /nfs/dbraw/zinc/00/75/73/763007573.db2.gz DGLXTUWSPXJRDJ-ZFWWWQNUSA-N 2 1 301.394 0.341 20 30 DCEDMP C=C(Cl)CN1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879612 763095675 /nfs/dbraw/zinc/09/56/75/763095675.db2.gz MYOVBRGDEHJNBM-KBPBESRZSA-N 2 1 315.845 0.775 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974814 763180433 /nfs/dbraw/zinc/18/04/33/763180433.db2.gz VZTJOVXKQLMLRI-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126646 763335328 /nfs/dbraw/zinc/33/53/28/763335328.db2.gz KOPVCRVRRRCVGM-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130708431 763455177 /nfs/dbraw/zinc/45/51/77/763455177.db2.gz PJIOSUHSDMNARR-GOEBONIOSA-N 2 1 319.453 0.832 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cncn1C ZINC001131115149 763657948 /nfs/dbraw/zinc/65/79/48/763657948.db2.gz ADUAYJGBEZXYMM-HUUCEWRRSA-N 2 1 317.437 0.279 20 30 DCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605470 763678197 /nfs/dbraw/zinc/67/81/97/763678197.db2.gz DIPLAYKSOZWAJB-UYSNPLJNSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1C ZINC001132128815 764263894 /nfs/dbraw/zinc/26/38/94/764263894.db2.gz OTAHWTIRJXSWIZ-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1C ZINC001132128815 764263899 /nfs/dbraw/zinc/26/38/99/764263899.db2.gz OTAHWTIRJXSWIZ-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132409589 764447292 /nfs/dbraw/zinc/44/72/92/764447292.db2.gz BNVJLNOOKZIDEM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132409589 764447300 /nfs/dbraw/zinc/44/73/00/764447300.db2.gz BNVJLNOOKZIDEM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132409589 764447306 /nfs/dbraw/zinc/44/73/06/764447306.db2.gz BNVJLNOOKZIDEM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132409589 764447311 /nfs/dbraw/zinc/44/73/11/764447311.db2.gz BNVJLNOOKZIDEM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132426152 764453131 /nfs/dbraw/zinc/45/31/31/764453131.db2.gz SMIVBXSRYJIPSR-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132426152 764453136 /nfs/dbraw/zinc/45/31/36/764453136.db2.gz SMIVBXSRYJIPSR-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044955 764505902 /nfs/dbraw/zinc/50/59/02/764505902.db2.gz LVOIQZMXWYNMAS-OAGGEKHMSA-N 2 1 319.453 0.683 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044955 764505907 /nfs/dbraw/zinc/50/59/07/764505907.db2.gz LVOIQZMXWYNMAS-OAGGEKHMSA-N 2 1 319.453 0.683 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488939 764663576 /nfs/dbraw/zinc/66/35/76/764663576.db2.gz NMJJKVWMBLIMSB-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001102496052 764669277 /nfs/dbraw/zinc/66/92/77/764669277.db2.gz AOQJNZZNNMGRGL-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001102496052 764669281 /nfs/dbraw/zinc/66/92/81/764669281.db2.gz AOQJNZZNNMGRGL-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001102496052 764669284 /nfs/dbraw/zinc/66/92/84/764669284.db2.gz AOQJNZZNNMGRGL-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001112424243 765530721 /nfs/dbraw/zinc/53/07/21/765530721.db2.gz SNJRONJMNYZTGF-HPFXQQBRSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001112424243 765530726 /nfs/dbraw/zinc/53/07/26/765530726.db2.gz SNJRONJMNYZTGF-HPFXQQBRSA-N 2 1 319.449 0.557 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000642 765549223 /nfs/dbraw/zinc/54/92/23/765549223.db2.gz JPXOYQRJVXAMDW-TTZDDIAXSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135030075 765770346 /nfs/dbraw/zinc/77/03/46/765770346.db2.gz XIUGDLLFTGLVJK-CHWSQXEVSA-N 2 1 321.425 0.367 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135029747 765770788 /nfs/dbraw/zinc/77/07/88/765770788.db2.gz RICCQHVJSCJQAH-KBPBESRZSA-N 2 1 306.410 0.714 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001098488235 765883924 /nfs/dbraw/zinc/88/39/24/765883924.db2.gz NDYZVPPAORVEOR-UHFFFAOYSA-N 2 1 304.394 0.261 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCCCCC ZINC001135437071 765933798 /nfs/dbraw/zinc/93/37/98/765933798.db2.gz MJTBFWZSAHTNRX-UHFFFAOYSA-N 2 1 312.458 0.507 20 30 DCEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135680715 766041123 /nfs/dbraw/zinc/04/11/23/766041123.db2.gz ZVLLTGBTUSMMQX-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170537 766924001 /nfs/dbraw/zinc/92/40/01/766924001.db2.gz NFHUJUJMKDTVRT-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170537 766924004 /nfs/dbraw/zinc/92/40/04/766924004.db2.gz NFHUJUJMKDTVRT-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001120496580 767041288 /nfs/dbraw/zinc/04/12/88/767041288.db2.gz FCFDDJBNPMYKRD-OAHLLOKOSA-N 2 1 321.381 0.230 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@]2(C)C1 ZINC001091565442 767469340 /nfs/dbraw/zinc/46/93/40/767469340.db2.gz PGDOIEQZUGGUJC-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565442 767469344 /nfs/dbraw/zinc/46/93/44/767469344.db2.gz PGDOIEQZUGGUJC-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565442 767469348 /nfs/dbraw/zinc/46/93/48/767469348.db2.gz PGDOIEQZUGGUJC-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565442 767469351 /nfs/dbraw/zinc/46/93/51/767469351.db2.gz PGDOIEQZUGGUJC-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565442 767469355 /nfs/dbraw/zinc/46/93/55/767469355.db2.gz PGDOIEQZUGGUJC-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001121915630 767667100 /nfs/dbraw/zinc/66/71/00/767667100.db2.gz LMGBPGJRDWFNPX-UHFFFAOYSA-N 2 1 307.438 0.912 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC)C1=O ZINC001161227345 768702698 /nfs/dbraw/zinc/70/26/98/768702698.db2.gz ZUVIYKOIRRXLPC-AWEZNQCLSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149841701 768878049 /nfs/dbraw/zinc/87/80/49/768878049.db2.gz IWNGVIROXUHRDS-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149841700 768878221 /nfs/dbraw/zinc/87/82/21/768878221.db2.gz IWNGVIROXUHRDS-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150332150 769065983 /nfs/dbraw/zinc/06/59/83/769065983.db2.gz GRUPLACBHAKEKS-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588080 769131386 /nfs/dbraw/zinc/13/13/86/769131386.db2.gz MTPOLSZMYCGEGM-OAHLLOKOSA-N 2 1 313.442 0.348 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150796591 769187881 /nfs/dbraw/zinc/18/78/81/769187881.db2.gz WBLBOYNSUSOYIF-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150796591 769187885 /nfs/dbraw/zinc/18/78/85/769187885.db2.gz WBLBOYNSUSOYIF-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500994 769311340 /nfs/dbraw/zinc/31/13/40/769311340.db2.gz PAOROXHGVKJXJZ-ARFHVFGLSA-N 2 1 309.454 0.993 20 30 DCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500994 769311348 /nfs/dbraw/zinc/31/13/48/769311348.db2.gz PAOROXHGVKJXJZ-ARFHVFGLSA-N 2 1 309.454 0.993 20 30 DCEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001151748521 769412255 /nfs/dbraw/zinc/41/22/55/769412255.db2.gz GGBOPBPHCUPCCN-MRXNPFEDSA-N 2 1 316.405 0.485 20 30 DCEDMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001151748521 769412263 /nfs/dbraw/zinc/41/22/63/769412263.db2.gz GGBOPBPHCUPCCN-MRXNPFEDSA-N 2 1 316.405 0.485 20 30 DCEDMP C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234392533 769645528 /nfs/dbraw/zinc/64/55/28/769645528.db2.gz MEUKKHZQHGPYGR-QLFBSQMISA-N 2 1 322.453 0.162 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153387712 769803880 /nfs/dbraw/zinc/80/38/80/769803880.db2.gz KRBSTBZAJGLYCW-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174889601 769810114 /nfs/dbraw/zinc/81/01/14/769810114.db2.gz JYFCZJFXQZJNLC-JKSUJKDBSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174889601 769810124 /nfs/dbraw/zinc/81/01/24/769810124.db2.gz JYFCZJFXQZJNLC-JKSUJKDBSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001177271230 770399729 /nfs/dbraw/zinc/39/97/29/770399729.db2.gz ZTADICPCPALMLQ-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001177271230 770399743 /nfs/dbraw/zinc/39/97/43/770399743.db2.gz ZTADICPCPALMLQ-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180136245 771061814 /nfs/dbraw/zinc/06/18/14/771061814.db2.gz UERYMHOJCDBAMW-ZFWWWQNUSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184309893 771770764 /nfs/dbraw/zinc/77/07/64/771770764.db2.gz MHROFJGZBKMZSS-ZIAGYGMSSA-N 2 1 319.409 0.073 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185668635 771945860 /nfs/dbraw/zinc/94/58/60/771945860.db2.gz FXCWKOVUUARZKB-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCCCC ZINC001160197636 772007048 /nfs/dbraw/zinc/00/70/48/772007048.db2.gz BJCHKGJXJLXWJR-HNNXBMFYSA-N 2 1 322.453 0.096 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCCCC ZINC001160197636 772007055 /nfs/dbraw/zinc/00/70/55/772007055.db2.gz BJCHKGJXJLXWJR-HNNXBMFYSA-N 2 1 322.453 0.096 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160273426 772017399 /nfs/dbraw/zinc/01/73/99/772017399.db2.gz MLRGZGUECOACAI-CABCVRRESA-N 2 1 324.469 0.647 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC12CCOCC2 ZINC001186553764 772054025 /nfs/dbraw/zinc/05/40/25/772054025.db2.gz VLOGGPIAVVKSCH-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219054 772279451 /nfs/dbraw/zinc/27/94/51/772279451.db2.gz FGVIMZDCCYOZDR-DOTOQJQBSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219054 772279454 /nfs/dbraw/zinc/27/94/54/772279454.db2.gz FGVIMZDCCYOZDR-DOTOQJQBSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219054 772279458 /nfs/dbraw/zinc/27/94/58/772279458.db2.gz FGVIMZDCCYOZDR-DOTOQJQBSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219054 772279460 /nfs/dbraw/zinc/27/94/60/772279460.db2.gz FGVIMZDCCYOZDR-DOTOQJQBSA-N 2 1 319.449 0.653 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC#CCOC)C2)CC[N@H+]1C ZINC001190247344 772610460 /nfs/dbraw/zinc/61/04/60/772610460.db2.gz OUGNQJUTBIUXCK-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC#CCOC)C2)CC[NH+]1C ZINC001190247344 772610463 /nfs/dbraw/zinc/61/04/63/772610463.db2.gz OUGNQJUTBIUXCK-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC#CCOC)C2)CC[NH+]1C ZINC001190247344 772610464 /nfs/dbraw/zinc/61/04/64/772610464.db2.gz OUGNQJUTBIUXCK-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCC=C)C1 ZINC001190725900 772669306 /nfs/dbraw/zinc/66/93/06/772669306.db2.gz TZZYTZVXHMHXGZ-SJORKVTESA-N 2 1 319.449 0.819 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOCC=C)C1 ZINC001190725900 772669307 /nfs/dbraw/zinc/66/93/07/772669307.db2.gz TZZYTZVXHMHXGZ-SJORKVTESA-N 2 1 319.449 0.819 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCC=C)C1 ZINC001190725900 772669308 /nfs/dbraw/zinc/66/93/08/772669308.db2.gz TZZYTZVXHMHXGZ-SJORKVTESA-N 2 1 319.449 0.819 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCOCC=C)C1 ZINC001190725900 772669310 /nfs/dbraw/zinc/66/93/10/772669310.db2.gz TZZYTZVXHMHXGZ-SJORKVTESA-N 2 1 319.449 0.819 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCOCC=C)C1 ZINC001190725900 772669311 /nfs/dbraw/zinc/66/93/11/772669311.db2.gz TZZYTZVXHMHXGZ-SJORKVTESA-N 2 1 319.449 0.819 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](C)O)CC1 ZINC001165545227 772746527 /nfs/dbraw/zinc/74/65/27/772746527.db2.gz GUJCDBZRGQWSFG-CABCVRRESA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](C)O)CC1 ZINC001165545227 772746530 /nfs/dbraw/zinc/74/65/30/772746530.db2.gz GUJCDBZRGQWSFG-CABCVRRESA-N 2 1 307.438 0.341 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166751001 772855841 /nfs/dbraw/zinc/85/58/41/772855841.db2.gz PGXMQCBUBZTQIP-AWEZNQCLSA-N 2 1 324.469 0.198 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001192788011 772958309 /nfs/dbraw/zinc/95/83/09/772958309.db2.gz KICYTAFDKHTVCA-INIZCTEOSA-N 2 1 317.437 0.614 20 30 DCEDMP CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102332 773005066 /nfs/dbraw/zinc/00/50/66/773005066.db2.gz HRSHTKBSMHNNRS-RRFJBIMHSA-N 2 1 318.421 0.581 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001193507419 773075962 /nfs/dbraw/zinc/07/59/62/773075962.db2.gz WOSWMJICYDJQSN-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001193507419 773075968 /nfs/dbraw/zinc/07/59/68/773075968.db2.gz WOSWMJICYDJQSN-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001193507419 773075972 /nfs/dbraw/zinc/07/59/72/773075972.db2.gz WOSWMJICYDJQSN-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570737 773079661 /nfs/dbraw/zinc/07/96/61/773079661.db2.gz LMURGNQOTDZHAA-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570737 773079665 /nfs/dbraw/zinc/07/96/65/773079665.db2.gz LMURGNQOTDZHAA-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821508 773116552 /nfs/dbraw/zinc/11/65/52/773116552.db2.gz LRSAIKLVHGHNGI-NUEKZKHPSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821508 773116553 /nfs/dbraw/zinc/11/65/53/773116553.db2.gz LRSAIKLVHGHNGI-NUEKZKHPSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821508 773116554 /nfs/dbraw/zinc/11/65/54/773116554.db2.gz LRSAIKLVHGHNGI-NUEKZKHPSA-N 2 1 309.454 0.987 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026339 773140260 /nfs/dbraw/zinc/14/02/60/773140260.db2.gz CJENCOUHPZSNSR-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001207337737 773194823 /nfs/dbraw/zinc/19/48/23/773194823.db2.gz WGKMMKRGXYNIKP-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001207337737 773194828 /nfs/dbraw/zinc/19/48/28/773194828.db2.gz WGKMMKRGXYNIKP-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001207337737 773194831 /nfs/dbraw/zinc/19/48/31/773194831.db2.gz WGKMMKRGXYNIKP-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001207337737 773194835 /nfs/dbraw/zinc/19/48/35/773194835.db2.gz WGKMMKRGXYNIKP-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591121 773503416 /nfs/dbraw/zinc/50/34/16/773503416.db2.gz QHYUNXLTWIUNSG-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591121 773503423 /nfs/dbraw/zinc/50/34/23/773503423.db2.gz QHYUNXLTWIUNSG-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001208591121 773503428 /nfs/dbraw/zinc/50/34/28/773503428.db2.gz QHYUNXLTWIUNSG-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001208591121 773503435 /nfs/dbraw/zinc/50/34/35/773503435.db2.gz QHYUNXLTWIUNSG-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001196917336 773662665 /nfs/dbraw/zinc/66/26/65/773662665.db2.gz IHKOXAUKIONPKH-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001196917336 773662667 /nfs/dbraw/zinc/66/26/67/773662667.db2.gz IHKOXAUKIONPKH-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001196917336 773662672 /nfs/dbraw/zinc/66/26/72/773662672.db2.gz IHKOXAUKIONPKH-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001196917336 773662675 /nfs/dbraw/zinc/66/26/75/773662675.db2.gz IHKOXAUKIONPKH-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210297159 773695958 /nfs/dbraw/zinc/69/59/58/773695958.db2.gz CFWNTUJLCMBXQT-OWCLPIDISA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210297159 773695965 /nfs/dbraw/zinc/69/59/65/773695965.db2.gz CFWNTUJLCMBXQT-OWCLPIDISA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210297159 773695970 /nfs/dbraw/zinc/69/59/70/773695970.db2.gz CFWNTUJLCMBXQT-OWCLPIDISA-N 2 1 307.438 0.415 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046245 773762541 /nfs/dbraw/zinc/76/25/41/773762541.db2.gz KTEUCKUUDKXPTI-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284566 773790017 /nfs/dbraw/zinc/79/00/17/773790017.db2.gz MZOOMSXPVZIZGP-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@H]2C)CC1 ZINC001211307339 773792273 /nfs/dbraw/zinc/79/22/73/773792273.db2.gz UJFVJMVSHINOOV-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001211367745 773796652 /nfs/dbraw/zinc/79/66/52/773796652.db2.gz YPXYTTAUHQXJFN-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001211367745 773796656 /nfs/dbraw/zinc/79/66/56/773796656.db2.gz YPXYTTAUHQXJFN-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001211367745 773796660 /nfs/dbraw/zinc/79/66/60/773796660.db2.gz YPXYTTAUHQXJFN-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001211367745 773796664 /nfs/dbraw/zinc/79/66/64/773796664.db2.gz YPXYTTAUHQXJFN-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576356 773863353 /nfs/dbraw/zinc/86/33/53/773863353.db2.gz KSEYWMZUIAOJDT-HZPDHXFCSA-N 2 1 318.421 0.810 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576356 773863357 /nfs/dbraw/zinc/86/33/57/773863357.db2.gz KSEYWMZUIAOJDT-HZPDHXFCSA-N 2 1 318.421 0.810 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213678112 773873946 /nfs/dbraw/zinc/87/39/46/773873946.db2.gz FDMXSFKLFNNQHC-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678112 773873949 /nfs/dbraw/zinc/87/39/49/773873949.db2.gz FDMXSFKLFNNQHC-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678112 773873954 /nfs/dbraw/zinc/87/39/54/773873954.db2.gz FDMXSFKLFNNQHC-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214662187 774006101 /nfs/dbraw/zinc/00/61/01/774006101.db2.gz XLKJMKANBDGBOO-KBUPBQIOSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023541 774013306 /nfs/dbraw/zinc/01/33/06/774013306.db2.gz LYRQSEISTOYASA-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184725 774047714 /nfs/dbraw/zinc/04/77/14/774047714.db2.gz PYYYAIJQWHGKFP-HCBPCCMXSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115156341 774215613 /nfs/dbraw/zinc/21/56/13/774215613.db2.gz MOQUDBNIXWIRDL-QLPKVWCKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115156341 774215617 /nfs/dbraw/zinc/21/56/17/774215617.db2.gz MOQUDBNIXWIRDL-QLPKVWCKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115156341 774215621 /nfs/dbraw/zinc/21/56/21/774215621.db2.gz MOQUDBNIXWIRDL-QLPKVWCKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550646 774243620 /nfs/dbraw/zinc/24/36/20/774243620.db2.gz IBMZRNNIBQANLM-LSDHHAIUSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550646 774243624 /nfs/dbraw/zinc/24/36/24/774243624.db2.gz IBMZRNNIBQANLM-LSDHHAIUSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182843 774292413 /nfs/dbraw/zinc/29/24/13/774292413.db2.gz UUEQERFVLTUAPN-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182843 774292416 /nfs/dbraw/zinc/29/24/16/774292416.db2.gz UUEQERFVLTUAPN-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004948 774346323 /nfs/dbraw/zinc/34/63/23/774346323.db2.gz XRZINVVKZMQCAE-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004948 774346328 /nfs/dbraw/zinc/34/63/28/774346328.db2.gz XRZINVVKZMQCAE-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004948 774346335 /nfs/dbraw/zinc/34/63/35/774346335.db2.gz XRZINVVKZMQCAE-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCCO1 ZINC001200805962 774411786 /nfs/dbraw/zinc/41/17/86/774411786.db2.gz NTCWKSKEHCAIGK-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCO1 ZINC001200866797 774421602 /nfs/dbraw/zinc/42/16/02/774421602.db2.gz XVIKMDMXSFEBSZ-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283104 774434472 /nfs/dbraw/zinc/43/44/72/774434472.db2.gz BBASISNIVXYEEI-INIZCTEOSA-N 2 1 304.369 0.844 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001219661158 774573477 /nfs/dbraw/zinc/57/34/77/774573477.db2.gz XUXOZFYJCMMRPF-JJXSEGSLSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001219661158 774573481 /nfs/dbraw/zinc/57/34/81/774573481.db2.gz XUXOZFYJCMMRPF-JJXSEGSLSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001219661158 774573484 /nfs/dbraw/zinc/57/34/84/774573484.db2.gz XUXOZFYJCMMRPF-JJXSEGSLSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813935 774617652 /nfs/dbraw/zinc/61/76/52/774617652.db2.gz LRSAIKLVHGHNGI-IMJJTQAJSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813935 774617655 /nfs/dbraw/zinc/61/76/55/774617655.db2.gz LRSAIKLVHGHNGI-IMJJTQAJSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813935 774617657 /nfs/dbraw/zinc/61/76/57/774617657.db2.gz LRSAIKLVHGHNGI-IMJJTQAJSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910759 774644422 /nfs/dbraw/zinc/64/44/22/774644422.db2.gz RCDKNTYDDHRUOS-CABCVRRESA-N 2 1 304.394 0.255 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910759 774644426 /nfs/dbraw/zinc/64/44/26/774644426.db2.gz RCDKNTYDDHRUOS-CABCVRRESA-N 2 1 304.394 0.255 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919646 774645305 /nfs/dbraw/zinc/64/53/05/774645305.db2.gz HHJZTAOXSAFEPK-CVEARBPZSA-N 2 1 316.405 0.093 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919646 774645313 /nfs/dbraw/zinc/64/53/13/774645313.db2.gz HHJZTAOXSAFEPK-CVEARBPZSA-N 2 1 316.405 0.093 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994087 774972475 /nfs/dbraw/zinc/97/24/75/774972475.db2.gz AOVDSRPJGREBEJ-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001224536213 775578619 /nfs/dbraw/zinc/57/86/19/775578619.db2.gz JVRRFSZKDZYUMU-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197980 775590332 /nfs/dbraw/zinc/59/03/32/775590332.db2.gz BVFRZTVPWNAYRI-OIISXLGYSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001226781896 775876701 /nfs/dbraw/zinc/87/67/01/775876701.db2.gz FHKXGQUXWBZGNV-BZUAXINKSA-N 2 1 317.437 0.464 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525057 775982586 /nfs/dbraw/zinc/98/25/86/775982586.db2.gz MOUMAOIDNJNKNR-HZPDHXFCSA-N 2 1 318.421 0.858 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227797883 776007151 /nfs/dbraw/zinc/00/71/51/776007151.db2.gz OKZOCSBOTGKKDG-OAHLLOKOSA-N 2 1 305.426 0.580 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227797952 776009501 /nfs/dbraw/zinc/00/95/01/776009501.db2.gz PJKMNIBZVAKEBQ-OAHLLOKOSA-N 2 1 303.410 0.027 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001227899193 776021887 /nfs/dbraw/zinc/02/18/87/776021887.db2.gz BSGJBXWSLLGAFW-INIZCTEOSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229503562 776196245 /nfs/dbraw/zinc/19/62/45/776196245.db2.gz KUEOECFYWHXRFV-HUUCEWRRSA-N 2 1 324.469 0.647 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262602 776271683 /nfs/dbraw/zinc/27/16/83/776271683.db2.gz JJGYJOAETPIEFN-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837248 777532730 /nfs/dbraw/zinc/53/27/30/777532730.db2.gz CNTWEZQDSWWDLP-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837248 777532734 /nfs/dbraw/zinc/53/27/34/777532734.db2.gz CNTWEZQDSWWDLP-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837248 777532739 /nfs/dbraw/zinc/53/27/39/777532739.db2.gz CNTWEZQDSWWDLP-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837248 777532744 /nfs/dbraw/zinc/53/27/44/777532744.db2.gz CNTWEZQDSWWDLP-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270809 777821352 /nfs/dbraw/zinc/82/13/52/777821352.db2.gz SNEQFLUSGDWIOY-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270809 777821360 /nfs/dbraw/zinc/82/13/60/777821360.db2.gz SNEQFLUSGDWIOY-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001317823799 945197469 /nfs/dbraw/zinc/19/74/69/945197469.db2.gz BPHALPXLZPHMBP-INIZCTEOSA-N 2 1 306.454 0.037 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001317823799 945197475 /nfs/dbraw/zinc/19/74/75/945197475.db2.gz BPHALPXLZPHMBP-INIZCTEOSA-N 2 1 306.454 0.037 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266247155 939026010 /nfs/dbraw/zinc/02/60/10/939026010.db2.gz DQOZMVRHWSNUQG-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266247155 939026011 /nfs/dbraw/zinc/02/60/11/939026011.db2.gz DQOZMVRHWSNUQG-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266247155 939026012 /nfs/dbraw/zinc/02/60/12/939026012.db2.gz DQOZMVRHWSNUQG-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266247155 939026013 /nfs/dbraw/zinc/02/60/13/939026013.db2.gz DQOZMVRHWSNUQG-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266246563 939026188 /nfs/dbraw/zinc/02/61/88/939026188.db2.gz RWOADBKKTLIICB-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001266246563 939026190 /nfs/dbraw/zinc/02/61/90/939026190.db2.gz RWOADBKKTLIICB-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266246563 939026193 /nfs/dbraw/zinc/02/61/93/939026193.db2.gz RWOADBKKTLIICB-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266246563 939026195 /nfs/dbraw/zinc/02/61/95/939026195.db2.gz RWOADBKKTLIICB-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266246563 939026198 /nfs/dbraw/zinc/02/61/98/939026198.db2.gz RWOADBKKTLIICB-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266265072 939034791 /nfs/dbraw/zinc/03/47/91/939034791.db2.gz UPSINRVEBLYTBA-IAGOWNOFSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266265072 939034793 /nfs/dbraw/zinc/03/47/93/939034793.db2.gz UPSINRVEBLYTBA-IAGOWNOFSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266265072 939034797 /nfs/dbraw/zinc/03/47/97/939034797.db2.gz UPSINRVEBLYTBA-IAGOWNOFSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)[C@@H](C)COC)CC1 ZINC001266440240 939119022 /nfs/dbraw/zinc/11/90/22/939119022.db2.gz LVPAFSYLXRJNSR-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266586462 939171789 /nfs/dbraw/zinc/17/17/89/939171789.db2.gz ZKOIFSMOFWHYCJ-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266586462 939171791 /nfs/dbraw/zinc/17/17/91/939171791.db2.gz ZKOIFSMOFWHYCJ-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001266586462 939171792 /nfs/dbraw/zinc/17/17/92/939171792.db2.gz ZKOIFSMOFWHYCJ-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001266586462 939171793 /nfs/dbraw/zinc/17/17/93/939171793.db2.gz ZKOIFSMOFWHYCJ-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267114332 939348561 /nfs/dbraw/zinc/34/85/61/939348561.db2.gz CUSNPACUJRMPBO-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267114332 939348565 /nfs/dbraw/zinc/34/85/65/939348565.db2.gz CUSNPACUJRMPBO-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267114332 939348569 /nfs/dbraw/zinc/34/85/69/939348569.db2.gz CUSNPACUJRMPBO-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267114332 939348573 /nfs/dbraw/zinc/34/85/73/939348573.db2.gz CUSNPACUJRMPBO-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267194510 939381709 /nfs/dbraw/zinc/38/17/09/939381709.db2.gz QXMYGNSVYMZANN-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267295445 939417892 /nfs/dbraw/zinc/41/78/92/939417892.db2.gz WOLGHBGBLAZHCX-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001267326824 939425413 /nfs/dbraw/zinc/42/54/13/939425413.db2.gz XUNRCHGFGNFZIU-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCO)c1ccccc1 ZINC001267520133 939483144 /nfs/dbraw/zinc/48/31/44/939483144.db2.gz JNURKMKGLGXHPE-SJORKVTESA-N 2 1 315.417 0.523 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCO)c1ccccc1 ZINC001267520133 939483147 /nfs/dbraw/zinc/48/31/47/939483147.db2.gz JNURKMKGLGXHPE-SJORKVTESA-N 2 1 315.417 0.523 20 30 DCEDMP CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001267576839 939522474 /nfs/dbraw/zinc/52/24/74/939522474.db2.gz ZJJZYHHYXIHEJN-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F ZINC001283763636 939648452 /nfs/dbraw/zinc/64/84/52/939648452.db2.gz IKFYHFIOGNADRX-NEPJUHHUSA-N 2 1 321.343 0.103 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F ZINC001283763636 939648457 /nfs/dbraw/zinc/64/84/57/939648457.db2.gz IKFYHFIOGNADRX-NEPJUHHUSA-N 2 1 321.343 0.103 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001481247688 939669737 /nfs/dbraw/zinc/66/97/37/939669737.db2.gz SZCFXBFMJWGAQI-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001284468849 940673970 /nfs/dbraw/zinc/67/39/70/940673970.db2.gz ORGIJRFGYVCVRG-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001284468849 940673972 /nfs/dbraw/zinc/67/39/72/940673972.db2.gz ORGIJRFGYVCVRG-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001269619210 940743810 /nfs/dbraw/zinc/74/38/10/940743810.db2.gz LYNDREBPRDJRGX-QGZVFWFLSA-N 2 1 318.421 0.867 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001269981433 940810003 /nfs/dbraw/zinc/81/00/03/940810003.db2.gz LSAOOCCKVLLOTL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001270065908 940828395 /nfs/dbraw/zinc/82/83/95/940828395.db2.gz AKQMSNANRSOREJ-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001270436685 940900992 /nfs/dbraw/zinc/90/09/92/940900992.db2.gz QUFPJDROAWVNAD-ZIAGYGMSSA-N 2 1 310.442 0.115 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001271145973 941287324 /nfs/dbraw/zinc/28/73/24/941287324.db2.gz QXSHHLLAMAQIGH-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145973 941287328 /nfs/dbraw/zinc/28/73/28/941287328.db2.gz QXSHHLLAMAQIGH-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145973 941287332 /nfs/dbraw/zinc/28/73/32/941287332.db2.gz QXSHHLLAMAQIGH-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001271152193 941291782 /nfs/dbraw/zinc/29/17/82/941291782.db2.gz KFEQIQCCEKAMEX-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001271152193 941291785 /nfs/dbraw/zinc/29/17/85/941291785.db2.gz KFEQIQCCEKAMEX-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001271152193 941291788 /nfs/dbraw/zinc/29/17/88/941291788.db2.gz KFEQIQCCEKAMEX-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271229813 941329579 /nfs/dbraw/zinc/32/95/79/941329579.db2.gz XHFAJURFRZLXKM-SJLPKXTDSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001271933042 941483594 /nfs/dbraw/zinc/48/35/94/941483594.db2.gz ZXLKJEWVRRPOJC-OAHLLOKOSA-N 2 1 308.470 0.684 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271957917 941491448 /nfs/dbraw/zinc/49/14/48/941491448.db2.gz KNIBWFIWQZAAMA-AEFFLSMTSA-N 2 1 321.465 0.847 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001482774217 941665276 /nfs/dbraw/zinc/66/52/76/941665276.db2.gz ZDNPVEHTZXRIOP-LBPRGKRZSA-N 2 1 314.817 0.826 20 30 DCEDMP COCC#CC[NH2+]CCCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001483475310 942378096 /nfs/dbraw/zinc/37/80/96/942378096.db2.gz RSQSHUWCEACFAG-UHFFFAOYSA-N 2 1 322.409 0.438 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077440636 942408008 /nfs/dbraw/zinc/40/80/08/942408008.db2.gz QYVFJFCCMIWUTN-BZUAXINKSA-N 2 1 305.422 0.045 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077440636 942408011 /nfs/dbraw/zinc/40/80/11/942408011.db2.gz QYVFJFCCMIWUTN-BZUAXINKSA-N 2 1 305.422 0.045 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001272520754 942799852 /nfs/dbraw/zinc/79/98/52/942799852.db2.gz KFSPUMUZAUBYNX-ZBFHGGJFSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@@H+](Cc3c[nH]c4ccncc34)C2)OCC1=O ZINC001272674299 942941276 /nfs/dbraw/zinc/94/12/76/942941276.db2.gz YADROHSJKLNKKH-SFHVURJKSA-N 2 1 324.384 0.999 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)OCC1=O ZINC001272674299 942941283 /nfs/dbraw/zinc/94/12/83/942941283.db2.gz YADROHSJKLNKKH-SFHVURJKSA-N 2 1 324.384 0.999 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)OCC1=O ZINC001272674299 942941286 /nfs/dbraw/zinc/94/12/86/942941286.db2.gz YADROHSJKLNKKH-SFHVURJKSA-N 2 1 324.384 0.999 20 30 DCEDMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001483985271 943071135 /nfs/dbraw/zinc/07/11/35/943071135.db2.gz QPGJRRDNLIWPAE-HNNXBMFYSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484065200 943132585 /nfs/dbraw/zinc/13/25/85/943132585.db2.gz SMMAYJBQEJSPMB-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484065200 943132590 /nfs/dbraw/zinc/13/25/90/943132590.db2.gz SMMAYJBQEJSPMB-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484065200 943132593 /nfs/dbraw/zinc/13/25/93/943132593.db2.gz SMMAYJBQEJSPMB-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001484065200 943132595 /nfs/dbraw/zinc/13/25/95/943132595.db2.gz SMMAYJBQEJSPMB-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001484065200 943132598 /nfs/dbraw/zinc/13/25/98/943132598.db2.gz SMMAYJBQEJSPMB-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484216430 943216647 /nfs/dbraw/zinc/21/66/47/943216647.db2.gz MNDFMCVLQZBAJX-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484278718 943290709 /nfs/dbraw/zinc/29/07/09/943290709.db2.gz QLORDGWAZOCNGM-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484278718 943290711 /nfs/dbraw/zinc/29/07/11/943290711.db2.gz QLORDGWAZOCNGM-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCC1 ZINC001484638375 943491894 /nfs/dbraw/zinc/49/18/94/943491894.db2.gz BOYRRJDRAKAIQH-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484841377 943590820 /nfs/dbraw/zinc/59/08/20/943590820.db2.gz HUSPACNNZLLEIR-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001484997445 943647439 /nfs/dbraw/zinc/64/74/39/943647439.db2.gz SUGFSVBHHUIEOT-KKUMJFAQSA-N 2 1 324.469 0.646 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491180110 943815716 /nfs/dbraw/zinc/81/57/16/943815716.db2.gz PBVOPDZVMKQDDG-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001485418893 943933801 /nfs/dbraw/zinc/93/38/01/943933801.db2.gz JTZAUMHHJZZCDT-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001485418893 943933807 /nfs/dbraw/zinc/93/38/07/943933807.db2.gz JTZAUMHHJZZCDT-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001276800738 944303496 /nfs/dbraw/zinc/30/34/96/944303496.db2.gz MDDBFUAUBTYMLJ-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001277142111 944678589 /nfs/dbraw/zinc/67/85/89/944678589.db2.gz VMYPQVASRIAYPW-KBPBESRZSA-N 2 1 322.453 0.400 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317040661 944754943 /nfs/dbraw/zinc/75/49/43/944754943.db2.gz FNLRIMLJQLIWJJ-OAHLLOKOSA-N 2 1 324.469 0.411 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001317057237 944764137 /nfs/dbraw/zinc/76/41/37/944764137.db2.gz PMIDOVOGMDFSMK-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317079080 944780297 /nfs/dbraw/zinc/78/02/97/944780297.db2.gz VRFSNUQSSUYFHG-ZQDZILKHSA-N 2 1 322.453 0.256 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317322927 944922489 /nfs/dbraw/zinc/92/24/89/944922489.db2.gz RQFKKYJRNYIEMQ-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317511510 945011816 /nfs/dbraw/zinc/01/18/16/945011816.db2.gz YKUGVUQAWICWIE-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317511510 945011828 /nfs/dbraw/zinc/01/18/28/945011828.db2.gz YKUGVUQAWICWIE-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317511510 945011841 /nfs/dbraw/zinc/01/18/41/945011841.db2.gz YKUGVUQAWICWIE-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317511510 945011851 /nfs/dbraw/zinc/01/18/51/945011851.db2.gz YKUGVUQAWICWIE-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001319937250 945699453 /nfs/dbraw/zinc/69/94/53/945699453.db2.gz UPQCMMCPJKZHGY-UONOGXRCSA-N 2 1 310.442 0.113 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320272864 945798966 /nfs/dbraw/zinc/79/89/66/945798966.db2.gz JTBKSSDTHKUXKJ-BBRMVZONSA-N 2 1 315.433 0.842 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCOCC1 ZINC001278710744 946104524 /nfs/dbraw/zinc/10/45/24/946104524.db2.gz DANNMTCNTDDUIW-INIZCTEOSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCOCC1 ZINC001278710744 946104535 /nfs/dbraw/zinc/10/45/35/946104535.db2.gz DANNMTCNTDDUIW-INIZCTEOSA-N 2 1 319.449 0.749 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279027951 946750238 /nfs/dbraw/zinc/75/02/38/946750238.db2.gz KMMGHLLRRLTCMU-KGLIPLIRSA-N 2 1 324.469 0.361 20 30 DCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325109712 947658987 /nfs/dbraw/zinc/65/89/87/947658987.db2.gz GVUQGRUFRYLPOO-DOTOQJQBSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109712 947658990 /nfs/dbraw/zinc/65/89/90/947658990.db2.gz GVUQGRUFRYLPOO-DOTOQJQBSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109712 947658998 /nfs/dbraw/zinc/65/89/98/947658998.db2.gz GVUQGRUFRYLPOO-DOTOQJQBSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001325138651 947673582 /nfs/dbraw/zinc/67/35/82/947673582.db2.gz VBQDXWYWWQWWJY-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1C ZINC001179481122 947848459 /nfs/dbraw/zinc/84/84/59/947848459.db2.gz BUIZLGGQMZWMKU-CQDKDKBSSA-N 2 1 319.409 0.222 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001325783783 947922573 /nfs/dbraw/zinc/92/25/73/947922573.db2.gz HMDDRJQRTRDABT-INIZCTEOSA-N 2 1 306.454 0.274 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001325835619 947943476 /nfs/dbraw/zinc/94/34/76/947943476.db2.gz OBICZFYNTWSWGX-JZXOWHBKSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001325835619 947943479 /nfs/dbraw/zinc/94/34/79/947943479.db2.gz OBICZFYNTWSWGX-JZXOWHBKSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001325835619 947943485 /nfs/dbraw/zinc/94/34/85/947943485.db2.gz OBICZFYNTWSWGX-JZXOWHBKSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001325836187 947945321 /nfs/dbraw/zinc/94/53/21/947945321.db2.gz RSEJRXCOOZBTCP-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001325836187 947945323 /nfs/dbraw/zinc/94/53/23/947945323.db2.gz RSEJRXCOOZBTCP-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001325836187 947945333 /nfs/dbraw/zinc/94/53/33/947945333.db2.gz RSEJRXCOOZBTCP-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001325836187 947945339 /nfs/dbraw/zinc/94/53/39/947945339.db2.gz RSEJRXCOOZBTCP-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001326987939 948353763 /nfs/dbraw/zinc/35/37/63/948353763.db2.gz HIKULWDZCQCWFD-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001327001690 948358246 /nfs/dbraw/zinc/35/82/46/948358246.db2.gz AOEKUSFMVLHSHL-HNNXBMFYSA-N 2 1 322.409 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001328284081 948807058 /nfs/dbraw/zinc/80/70/58/948807058.db2.gz NYLUJCNSDCYILK-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001328284081 948807071 /nfs/dbraw/zinc/80/70/71/948807071.db2.gz NYLUJCNSDCYILK-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001328284081 948807089 /nfs/dbraw/zinc/80/70/89/948807089.db2.gz NYLUJCNSDCYILK-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264078922 948863491 /nfs/dbraw/zinc/86/34/91/948863491.db2.gz UKMBIAVURWLWMJ-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001328403356 948878398 /nfs/dbraw/zinc/87/83/98/948878398.db2.gz VTTAWLUXKXQNSG-KKUMJFAQSA-N 2 1 324.469 0.503 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328764267 949081067 /nfs/dbraw/zinc/08/10/67/949081067.db2.gz JXQZZVODAQBDAB-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001489017769 949434869 /nfs/dbraw/zinc/43/48/69/949434869.db2.gz VNGRNOFWTGGWQQ-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001265444643 949695205 /nfs/dbraw/zinc/69/52/05/949695205.db2.gz ZTUJHTTXPJICRF-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001490579724 950898847 /nfs/dbraw/zinc/89/88/47/950898847.db2.gz UIGIFJVSUGIFCB-HNNXBMFYSA-N 2 1 322.453 0.355 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001490579724 950898853 /nfs/dbraw/zinc/89/88/53/950898853.db2.gz UIGIFJVSUGIFCB-HNNXBMFYSA-N 2 1 322.453 0.355 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCO)C1 ZINC001490768222 951094719 /nfs/dbraw/zinc/09/47/19/951094719.db2.gz ZTAVOSHFVQMPCB-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCO)C1 ZINC001490768222 951094730 /nfs/dbraw/zinc/09/47/30/951094730.db2.gz ZTAVOSHFVQMPCB-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCO)C1 ZINC001490768222 951094742 /nfs/dbraw/zinc/09/47/42/951094742.db2.gz ZTAVOSHFVQMPCB-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCO)C1 ZINC001490768222 951094751 /nfs/dbraw/zinc/09/47/51/951094751.db2.gz ZTAVOSHFVQMPCB-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnn1C ZINC001331470867 951130182 /nfs/dbraw/zinc/13/01/82/951130182.db2.gz TYDJOXXGMOHKJP-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnn1C ZINC001331470867 951130187 /nfs/dbraw/zinc/13/01/87/951130187.db2.gz TYDJOXXGMOHKJP-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001341732433 953248525 /nfs/dbraw/zinc/24/85/25/953248525.db2.gz JXFPCCMRUXCXLD-HZPDHXFCSA-N 2 1 308.470 0.908 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001282909359 953748394 /nfs/dbraw/zinc/74/83/94/953748394.db2.gz ABLFSFMDVDITFW-LSDHHAIUSA-N 2 1 304.394 0.420 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001283051719 953957655 /nfs/dbraw/zinc/95/76/55/953957655.db2.gz RDKXHCZURLYHFU-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001283617888 954487277 /nfs/dbraw/zinc/48/72/77/954487277.db2.gz MYFUBPUSVBWGAF-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001283998799 954762875 /nfs/dbraw/zinc/76/28/75/954762875.db2.gz JCRRFQISWYQSQT-HIFRSBDPSA-N 2 1 306.410 0.973 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001491855914 959310612 /nfs/dbraw/zinc/31/06/12/959310612.db2.gz LUSAXZLQZZPAMX-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317521860 960267655 /nfs/dbraw/zinc/26/76/55/960267655.db2.gz FKDNSEWNLYJGTE-RDJZCZTQSA-N 2 1 321.465 0.969 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379884114 962212196 /nfs/dbraw/zinc/21/21/96/962212196.db2.gz XKXOPMFTGOGMKY-CHWSQXEVSA-N 2 1 303.834 0.490 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001507434037 1016324951 /nfs/dbraw/zinc/32/49/51/1016324951.db2.gz PCGRAIPTCIUVGE-BZUAXINKSA-N 2 1 321.465 0.803 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001420186577 1001998883 /nfs/dbraw/zinc/99/88/83/1001998883.db2.gz BZZDUOIGJCLCNR-JKSUJKDBSA-N 2 1 316.405 0.077 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC ZINC001508050097 1016631283 /nfs/dbraw/zinc/63/12/83/1016631283.db2.gz IGWNYHVWTQRFSP-INIZCTEOSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC ZINC001508050097 1016631299 /nfs/dbraw/zinc/63/12/99/1016631299.db2.gz IGWNYHVWTQRFSP-INIZCTEOSA-N 2 1 307.438 0.416 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001438993346 1006333198 /nfs/dbraw/zinc/33/31/98/1006333198.db2.gz JOPBZQIRHQSGBZ-STQMWFEESA-N 2 1 303.834 0.680 20 30 DCEDMP C=CC[N@@H+](C)CCN(CC)S(=O)(=O)CCn1ccnc1 ZINC001475477443 1017110693 /nfs/dbraw/zinc/11/06/93/1017110693.db2.gz YVCZMQANXSUYSR-UHFFFAOYSA-N 2 1 300.428 0.653 20 30 DCEDMP C=CC[N@H+](C)CCN(CC)S(=O)(=O)CCn1ccnc1 ZINC001475477443 1017110696 /nfs/dbraw/zinc/11/06/96/1017110696.db2.gz YVCZMQANXSUYSR-UHFFFAOYSA-N 2 1 300.428 0.653 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479459949 1017561898 /nfs/dbraw/zinc/56/18/98/1017561898.db2.gz IPEZPXAVFSANJF-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001479660589 1017638424 /nfs/dbraw/zinc/63/84/24/1017638424.db2.gz CFWPHDBREXYXBP-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001479660589 1017638428 /nfs/dbraw/zinc/63/84/28/1017638428.db2.gz CFWPHDBREXYXBP-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001479660589 1017638439 /nfs/dbraw/zinc/63/84/39/1017638439.db2.gz CFWPHDBREXYXBP-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001494792083 1018031168 /nfs/dbraw/zinc/03/11/68/1018031168.db2.gz AGCIQKZOZVUULH-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001494792083 1018031179 /nfs/dbraw/zinc/03/11/79/1018031179.db2.gz AGCIQKZOZVUULH-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001495109710 1018320566 /nfs/dbraw/zinc/32/05/66/1018320566.db2.gz XIUROBIGZPMTRS-CHWSQXEVSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001495109710 1018320572 /nfs/dbraw/zinc/32/05/72/1018320572.db2.gz XIUROBIGZPMTRS-CHWSQXEVSA-N 2 1 303.834 0.944 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001500282916 1018382364 /nfs/dbraw/zinc/38/23/64/1018382364.db2.gz XURLSCLZSHWGIG-PBHICJAKSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001500282916 1018382374 /nfs/dbraw/zinc/38/23/74/1018382374.db2.gz XURLSCLZSHWGIG-PBHICJAKSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001500282916 1018382379 /nfs/dbraw/zinc/38/23/79/1018382379.db2.gz XURLSCLZSHWGIG-PBHICJAKSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001500282916 1018382381 /nfs/dbraw/zinc/38/23/81/1018382381.db2.gz XURLSCLZSHWGIG-PBHICJAKSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CC(C)C)C2)CC1 ZINC001500766914 1018644973 /nfs/dbraw/zinc/64/49/73/1018644973.db2.gz VDZUBZLQUWUGBF-GOSISDBHSA-N 2 1 321.465 0.541 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493238689 1019234752 /nfs/dbraw/zinc/23/47/52/1019234752.db2.gz CZEZNHUAABOAMB-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496431328 1019306466 /nfs/dbraw/zinc/30/64/66/1019306466.db2.gz WEARAKSESQKARX-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001501586712 1019307878 /nfs/dbraw/zinc/30/78/78/1019307878.db2.gz MGJYHUNSFNAZEY-CYBMUJFWSA-N 2 1 304.394 0.811 20 30 DCEDMP [NH2+]=C(NCCCNc1ccccn1)NCCC[NH+]1CCOCC1 ZINC000170905266 237130701 /nfs/dbraw/zinc/13/07/01/237130701.db2.gz VHYFHASMGYNBPG-UHFFFAOYSA-N 2 1 320.441 0.510 20 30 DCEDMP CN(C)C(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264066118 238188337 /nfs/dbraw/zinc/18/83/37/238188337.db2.gz DZTALDCFAOZRPU-UHFFFAOYSA-N 2 1 303.410 0.451 20 30 DCEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000262256847 532964999 /nfs/dbraw/zinc/96/49/99/532964999.db2.gz CWFZLCJSCNVQTR-OAHLLOKOSA-N 2 1 308.382 0.497 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000491783269 533145745 /nfs/dbraw/zinc/14/57/45/533145745.db2.gz QTWDLWDYJXPBTH-HUUCEWRRSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000491783269 533145748 /nfs/dbraw/zinc/14/57/48/533145748.db2.gz QTWDLWDYJXPBTH-HUUCEWRRSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000491726035 533148170 /nfs/dbraw/zinc/14/81/70/533148170.db2.gz IMYGRHLKEFAOPT-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COC(=O)[C@H](C)C[NH+](C)CC#CC[N@H+](C)C[C@@H](C)C(=O)OC ZINC000276297689 533168743 /nfs/dbraw/zinc/16/87/43/533168743.db2.gz JGYYQLWBTIVRFJ-ZIAGYGMSSA-N 2 1 312.410 0.472 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844711 397500061 /nfs/dbraw/zinc/50/00/61/397500061.db2.gz DQMCVVPXVIWSTH-UHFFFAOYSA-N 2 1 317.393 0.606 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844711 397500063 /nfs/dbraw/zinc/50/00/63/397500063.db2.gz DQMCVVPXVIWSTH-UHFFFAOYSA-N 2 1 317.393 0.606 20 30 DCEDMP C[C@H]1C[NH+]=C(NCCCN2CCN(c3cc[nH+]cc3)CC2)N1 ZINC000284970210 415606416 /nfs/dbraw/zinc/60/64/16/415606416.db2.gz GCIDOPGPUZVHGW-AWEZNQCLSA-N 2 1 302.426 0.531 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1COc2ccccc21 ZINC000288676139 415682488 /nfs/dbraw/zinc/68/24/88/415682488.db2.gz IDJCGLYISMHLMZ-CQSZACIVSA-N 2 1 318.421 0.789 20 30 DCEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000122098927 415825433 /nfs/dbraw/zinc/82/54/33/415825433.db2.gz QGVCATNUPFFUCB-UHFFFAOYSA-N 2 1 310.442 0.697 20 30 DCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000329266985 416159508 /nfs/dbraw/zinc/15/95/08/416159508.db2.gz FYEHESXAXTVFPJ-LJISPDSOSA-N 2 1 324.469 0.913 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000329266985 416159513 /nfs/dbraw/zinc/15/95/13/416159513.db2.gz FYEHESXAXTVFPJ-LJISPDSOSA-N 2 1 324.469 0.913 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@H](C)C1 ZINC000329266985 416159517 /nfs/dbraw/zinc/15/95/17/416159517.db2.gz FYEHESXAXTVFPJ-LJISPDSOSA-N 2 1 324.469 0.913 20 30 DCEDMP N#CCSCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369268900 416738632 /nfs/dbraw/zinc/73/86/32/416738632.db2.gz HZFLLWJNFPZWGP-UHFFFAOYSA-N 2 1 313.467 0.792 20 30 DCEDMP C=CC[C@@]1(C(=O)NCCCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662758735 417894968 /nfs/dbraw/zinc/89/49/68/417894968.db2.gz SIEPZGWRLGCRFN-KRWDZBQOSA-N 2 1 308.470 0.829 20 30 DCEDMP C[NH+]=C(NC[C@@]1(O)CCSC1)N1CC[NH+](CC(C)C)CC1 ZINC000262695208 276843461 /nfs/dbraw/zinc/84/34/61/276843461.db2.gz XFZPTHIMJPXGOY-HNNXBMFYSA-N 2 1 314.499 0.703 20 30 DCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262535939 277101066 /nfs/dbraw/zinc/10/10/66/277101066.db2.gz PNXQJSRFEZMFFH-DZGCQCFKSA-N 2 1 317.437 0.660 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892961 337022327 /nfs/dbraw/zinc/02/23/27/337022327.db2.gz WLYRFLQTYCDVPB-CVEARBPZSA-N 2 1 306.454 0.225 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892961 337022328 /nfs/dbraw/zinc/02/23/28/337022328.db2.gz WLYRFLQTYCDVPB-CVEARBPZSA-N 2 1 306.454 0.225 20 30 DCEDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CN(C)CCC#N)CCCO1 ZINC000583079773 337236875 /nfs/dbraw/zinc/23/68/75/337236875.db2.gz KYFRUQHMTGBKAE-JKSUJKDBSA-N 2 1 312.458 0.283 20 30 DCEDMP COCC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001566610796 1160094226 /nfs/dbraw/zinc/09/42/26/1160094226.db2.gz NBIHVFCSIABDQK-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261817256 526369830 /nfs/dbraw/zinc/36/98/30/526369830.db2.gz UCFZITPGAFDYPG-HOTGVXAUSA-N 2 1 324.469 0.785 20 30 DCEDMP CCCNC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264109247 528162437 /nfs/dbraw/zinc/16/24/37/528162437.db2.gz ONZXWGFOABCUMA-UHFFFAOYSA-N 2 1 317.437 0.889 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CCN(C(=O)CC)C1 ZINC000261980204 528809200 /nfs/dbraw/zinc/80/92/00/528809200.db2.gz OSKWWNZUOOXIKO-UONOGXRCSA-N 2 1 309.458 0.504 20 30 DCEDMP C[NH+](C)CC1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000328871485 546041009 /nfs/dbraw/zinc/04/10/09/546041009.db2.gz IKLHEQDRWJXQRE-UHFFFAOYSA-N 2 1 310.442 0.839 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)CC ZINC001668092745 1174755164 /nfs/dbraw/zinc/75/51/64/1174755164.db2.gz XXVNPACXWWCHFF-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)CC ZINC001668092745 1174755169 /nfs/dbraw/zinc/75/51/69/1174755169.db2.gz XXVNPACXWWCHFF-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634874 660577201 /nfs/dbraw/zinc/57/72/01/660577201.db2.gz IAOMPYZZMKGUFJ-JONQDZQNSA-N 2 1 305.422 0.023 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634874 660577202 /nfs/dbraw/zinc/57/72/02/660577202.db2.gz IAOMPYZZMKGUFJ-JONQDZQNSA-N 2 1 305.422 0.023 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634874 660577203 /nfs/dbraw/zinc/57/72/03/660577203.db2.gz IAOMPYZZMKGUFJ-JONQDZQNSA-N 2 1 305.422 0.023 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979076009 660655498 /nfs/dbraw/zinc/65/54/98/660655498.db2.gz XYMWXKKVWDFKDF-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979076009 660655499 /nfs/dbraw/zinc/65/54/99/660655499.db2.gz XYMWXKKVWDFKDF-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979076009 660655500 /nfs/dbraw/zinc/65/55/00/660655500.db2.gz XYMWXKKVWDFKDF-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979076009 660655501 /nfs/dbraw/zinc/65/55/01/660655501.db2.gz XYMWXKKVWDFKDF-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036922 661093473 /nfs/dbraw/zinc/09/34/73/661093473.db2.gz IZDUOYBOTXNJBN-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036922 661093475 /nfs/dbraw/zinc/09/34/75/661093475.db2.gz IZDUOYBOTXNJBN-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036922 661093478 /nfs/dbraw/zinc/09/34/78/661093478.db2.gz IZDUOYBOTXNJBN-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)O)C2 ZINC000981819197 661222596 /nfs/dbraw/zinc/22/25/96/661222596.db2.gz RNRARRWZDHCDKF-CVEARBPZSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)O)C2 ZINC000981819197 661222597 /nfs/dbraw/zinc/22/25/97/661222597.db2.gz RNRARRWZDHCDKF-CVEARBPZSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)O)C2 ZINC000981819197 661222598 /nfs/dbraw/zinc/22/25/98/661222598.db2.gz RNRARRWZDHCDKF-CVEARBPZSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](C[C@@H](C)O)C2 ZINC000981819197 661222599 /nfs/dbraw/zinc/22/25/99/661222599.db2.gz RNRARRWZDHCDKF-CVEARBPZSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](C[C@@H](C)O)C2 ZINC000981819197 661222601 /nfs/dbraw/zinc/22/26/01/661222601.db2.gz RNRARRWZDHCDKF-CVEARBPZSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982071196 661287506 /nfs/dbraw/zinc/28/75/06/661287506.db2.gz BWRODZXVJLDXMC-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982071196 661287507 /nfs/dbraw/zinc/28/75/07/661287507.db2.gz BWRODZXVJLDXMC-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023553213 657982233 /nfs/dbraw/zinc/98/22/33/657982233.db2.gz XRGVHSNWQZFWOX-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023553213 657982235 /nfs/dbraw/zinc/98/22/35/657982235.db2.gz XRGVHSNWQZFWOX-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001023757730 658209027 /nfs/dbraw/zinc/20/90/27/658209027.db2.gz NMFHPCQZJWFHCF-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023757730 658209037 /nfs/dbraw/zinc/20/90/37/658209037.db2.gz NMFHPCQZJWFHCF-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757730 658209044 /nfs/dbraw/zinc/20/90/44/658209044.db2.gz NMFHPCQZJWFHCF-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757730 658209052 /nfs/dbraw/zinc/20/90/52/658209052.db2.gz NMFHPCQZJWFHCF-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972314353 658554909 /nfs/dbraw/zinc/55/49/09/658554909.db2.gz CNQMLFZKVJOMGI-WBVHZDCISA-N 2 1 323.437 0.196 20 30 DCEDMP C=CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972314353 658554914 /nfs/dbraw/zinc/55/49/14/658554914.db2.gz CNQMLFZKVJOMGI-WBVHZDCISA-N 2 1 323.437 0.196 20 30 DCEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970168515 658683493 /nfs/dbraw/zinc/68/34/93/658683493.db2.gz BYNHUJXMJMCWLC-QBPRILJRSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000972410729 658733130 /nfs/dbraw/zinc/73/31/30/658733130.db2.gz UMADXZVIMXFZGL-SFHVURJKSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000972410729 658733134 /nfs/dbraw/zinc/73/31/34/658733134.db2.gz UMADXZVIMXFZGL-SFHVURJKSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972410729 658733138 /nfs/dbraw/zinc/73/31/38/658733138.db2.gz UMADXZVIMXFZGL-SFHVURJKSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972410729 658733143 /nfs/dbraw/zinc/73/31/43/658733143.db2.gz UMADXZVIMXFZGL-SFHVURJKSA-N 2 1 319.449 0.797 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799087 659565462 /nfs/dbraw/zinc/56/54/62/659565462.db2.gz UYDPBWZGEIHWJA-FIDHJVLJSA-N 2 1 319.449 0.862 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025799087 659565463 /nfs/dbraw/zinc/56/54/63/659565463.db2.gz UYDPBWZGEIHWJA-FIDHJVLJSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000977635285 659791701 /nfs/dbraw/zinc/79/17/01/659791701.db2.gz AJCFZGRWJNHIOM-GDBMZVCRSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](C)OC)CC1 ZINC001028333565 661461709 /nfs/dbraw/zinc/46/17/09/661461709.db2.gz OMXBCXIVLVUDJJ-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)COC)CC1 ZINC001028333552 661462415 /nfs/dbraw/zinc/46/24/15/661462415.db2.gz NZDHDVNOKDATOJ-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000203478 665776919 /nfs/dbraw/zinc/77/69/19/665776919.db2.gz WXVSZOXZGKMHDA-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840484 665858797 /nfs/dbraw/zinc/85/87/97/665858797.db2.gz WNYPUALAKIZSNF-KFWWJZLASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840484 665858800 /nfs/dbraw/zinc/85/88/00/665858800.db2.gz WNYPUALAKIZSNF-KFWWJZLASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840484 665858802 /nfs/dbraw/zinc/85/88/02/665858802.db2.gz WNYPUALAKIZSNF-KFWWJZLASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840484 665858805 /nfs/dbraw/zinc/85/88/05/665858805.db2.gz WNYPUALAKIZSNF-KFWWJZLASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[N@@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000985515962 662472297 /nfs/dbraw/zinc/47/22/97/662472297.db2.gz TYKMXIKIDREMFY-UHFFFAOYSA-N 2 1 304.394 0.906 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000985515962 662472298 /nfs/dbraw/zinc/47/22/98/662472298.db2.gz TYKMXIKIDREMFY-UHFFFAOYSA-N 2 1 304.394 0.906 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@@H](C)O)CC2)CC1 ZINC000989735109 662974861 /nfs/dbraw/zinc/97/48/61/662974861.db2.gz SWORSFHGKAZSTG-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000715593 665920861 /nfs/dbraw/zinc/92/08/61/665920861.db2.gz SUXSPAKQDLILKP-HOTGVXAUSA-N 2 1 303.406 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000715593 665920863 /nfs/dbraw/zinc/92/08/63/665920863.db2.gz SUXSPAKQDLILKP-HOTGVXAUSA-N 2 1 303.406 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000715593 665920864 /nfs/dbraw/zinc/92/08/64/665920864.db2.gz SUXSPAKQDLILKP-HOTGVXAUSA-N 2 1 303.406 0.231 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000900513552 663251691 /nfs/dbraw/zinc/25/16/91/663251691.db2.gz ZPQOSUXXCCORDX-CQSZACIVSA-N 2 1 310.442 0.198 20 30 DCEDMP C=CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903719727 663474774 /nfs/dbraw/zinc/47/47/74/663474774.db2.gz ULAIXJSXSJPJCC-GASCZTMLSA-N 2 1 320.437 0.058 20 30 DCEDMP C=CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903719727 663474775 /nfs/dbraw/zinc/47/47/75/663474775.db2.gz ULAIXJSXSJPJCC-GASCZTMLSA-N 2 1 320.437 0.058 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)CC1 ZINC001032801963 665981351 /nfs/dbraw/zinc/98/13/51/665981351.db2.gz NRNPIQZRGBEGOD-HOTGVXAUSA-N 2 1 307.413 0.976 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000911735056 664104458 /nfs/dbraw/zinc/10/44/58/664104458.db2.gz CVXSLYPKUJLNLU-UHFFFAOYSA-N 2 1 315.373 0.757 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000732306454 664913091 /nfs/dbraw/zinc/91/30/91/664913091.db2.gz UXMNVKFSNLPYFT-KRWDZBQOSA-N 2 1 318.465 0.324 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000732306454 664913092 /nfs/dbraw/zinc/91/30/92/664913092.db2.gz UXMNVKFSNLPYFT-KRWDZBQOSA-N 2 1 318.465 0.324 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOC2CCC2)C1 ZINC001031741369 665396101 /nfs/dbraw/zinc/39/61/01/665396101.db2.gz XPPYTNNNEHTMJG-KRWDZBQOSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOC2CCC2)C1 ZINC001031741369 665396103 /nfs/dbraw/zinc/39/61/03/665396103.db2.gz XPPYTNNNEHTMJG-KRWDZBQOSA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665479 666041089 /nfs/dbraw/zinc/04/10/89/666041089.db2.gz FVPBORCSIBYHFZ-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691170446 1157604303 /nfs/dbraw/zinc/60/43/03/1157604303.db2.gz BSQWKZOKYWJHHH-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279967 666659792 /nfs/dbraw/zinc/65/97/92/666659792.db2.gz YPEJIYXDVWMQPQ-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279967 666659794 /nfs/dbraw/zinc/65/97/94/666659794.db2.gz YPEJIYXDVWMQPQ-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279967 666659795 /nfs/dbraw/zinc/65/97/95/666659795.db2.gz YPEJIYXDVWMQPQ-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000996673257 666854913 /nfs/dbraw/zinc/85/49/13/666854913.db2.gz URNREXKGQSHEJD-OAHLLOKOSA-N 2 1 305.426 0.580 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000996937123 667026494 /nfs/dbraw/zinc/02/64/94/667026494.db2.gz VMIRGPZPBRQMSB-CQSZACIVSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCC)CCO2)CC1 ZINC001035614002 667392589 /nfs/dbraw/zinc/39/25/89/667392589.db2.gz MJHLBLCOYZRCMY-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884313869 667522223 /nfs/dbraw/zinc/52/22/23/667522223.db2.gz RICYMBXZRCZUNI-GYMHETDLSA-N 2 1 304.438 0.924 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC000923559504 667562614 /nfs/dbraw/zinc/56/26/14/667562614.db2.gz GVEACUQGRDCRFR-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[C@@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872215174 667878048 /nfs/dbraw/zinc/87/80/48/667878048.db2.gz RUTCSVJCHRAPEG-QZTJIDSGSA-N 2 1 302.418 0.987 20 30 DCEDMP C#CCC[C@@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215174 667878051 /nfs/dbraw/zinc/87/80/51/667878051.db2.gz RUTCSVJCHRAPEG-QZTJIDSGSA-N 2 1 302.418 0.987 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000747568417 667907017 /nfs/dbraw/zinc/90/70/17/667907017.db2.gz VDKQGORVTHSFPL-LUKYLMHMSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000747568417 667907019 /nfs/dbraw/zinc/90/70/19/667907019.db2.gz VDKQGORVTHSFPL-LUKYLMHMSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000781090413 669029541 /nfs/dbraw/zinc/02/95/41/669029541.db2.gz LVVYIXIKTIBQTD-ZBFHGGJFSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000781090413 669029543 /nfs/dbraw/zinc/02/95/43/669029543.db2.gz LVVYIXIKTIBQTD-ZBFHGGJFSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C[C@@H](C)O)CC1 ZINC000781090413 669029546 /nfs/dbraw/zinc/02/95/46/669029546.db2.gz LVVYIXIKTIBQTD-ZBFHGGJFSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C[C@@H](C)O)CC1 ZINC000781090413 669029549 /nfs/dbraw/zinc/02/95/49/669029549.db2.gz LVVYIXIKTIBQTD-ZBFHGGJFSA-N 2 1 307.438 0.388 20 30 DCEDMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000931488669 669211258 /nfs/dbraw/zinc/21/12/58/669211258.db2.gz UDWNXLDFTUPJLR-UHFFFAOYSA-N 2 1 322.453 0.718 20 30 DCEDMP C=CCN1CCN(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000840002096 670248656 /nfs/dbraw/zinc/24/86/56/670248656.db2.gz BFEJSBNTRDIFIP-UHFFFAOYSA-N 2 1 310.442 0.910 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCO)C2)CC1 ZINC001036903965 670271202 /nfs/dbraw/zinc/27/12/02/670271202.db2.gz KCDVZVQIDBJTFA-IRXDYDNUSA-N 2 1 319.449 0.247 20 30 DCEDMP C[C@H]1C[NH+]=C(NN=C2c3ccccc3N(CC[NH+](C)C)C2=O)N1 ZINC000807981792 670383367 /nfs/dbraw/zinc/38/33/67/670383367.db2.gz SEQDTAZKRZVBTO-NSHDSACASA-N 2 1 314.393 0.236 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854332825 670547753 /nfs/dbraw/zinc/54/77/53/670547753.db2.gz JXCDRDUZVPNNSD-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854332825 670547758 /nfs/dbraw/zinc/54/77/58/670547758.db2.gz JXCDRDUZVPNNSD-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[C@H](COC)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000858335224 670994077 /nfs/dbraw/zinc/99/40/77/670994077.db2.gz PPCQZZZTMNYFNU-OAHLLOKOSA-N 2 1 303.410 0.356 20 30 DCEDMP CC(C)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000852856999 671175661 /nfs/dbraw/zinc/17/56/61/671175661.db2.gz IKLZDHIPRWHCSI-INIZCTEOSA-N 2 1 307.438 0.462 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000852865736 671179178 /nfs/dbraw/zinc/17/91/78/671179178.db2.gz NQMQYXKYYWXNJP-CVEARBPZSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001020250559 693745568 /nfs/dbraw/zinc/74/55/68/693745568.db2.gz IKHFLEJMYWVSES-JYJNAYRXSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001020250559 693745570 /nfs/dbraw/zinc/74/55/70/693745570.db2.gz IKHFLEJMYWVSES-JYJNAYRXSA-N 2 1 315.421 0.255 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304675301 685210516 /nfs/dbraw/zinc/21/05/16/685210516.db2.gz CWHUMUPMMUSYBH-INIZCTEOSA-N 3 1 324.517 0.401 20 30 DCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038535015 694109366 /nfs/dbraw/zinc/10/93/66/694109366.db2.gz JTFJOZLVLUTYFY-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038535015 694109367 /nfs/dbraw/zinc/10/93/67/694109367.db2.gz JTFJOZLVLUTYFY-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038535015 694109369 /nfs/dbraw/zinc/10/93/69/694109369.db2.gz JTFJOZLVLUTYFY-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958201442 687431002 /nfs/dbraw/zinc/43/10/02/687431002.db2.gz ZHMHCESVHJBPQU-WFASDCNBSA-N 2 1 322.409 0.335 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958201442 687431007 /nfs/dbraw/zinc/43/10/07/687431007.db2.gz ZHMHCESVHJBPQU-WFASDCNBSA-N 2 1 322.409 0.335 20 30 DCEDMP C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375383 687598360 /nfs/dbraw/zinc/59/83/60/687598360.db2.gz SXQIERCDYAELKH-UONOGXRCSA-N 2 1 315.845 0.490 20 30 DCEDMP C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375383 687598365 /nfs/dbraw/zinc/59/83/65/687598365.db2.gz SXQIERCDYAELKH-UONOGXRCSA-N 2 1 315.845 0.490 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958597773 687785253 /nfs/dbraw/zinc/78/52/53/687785253.db2.gz GBMIFYWYFCZXDE-CZUORRHYSA-N 2 1 316.405 0.193 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958597773 687785260 /nfs/dbraw/zinc/78/52/60/687785260.db2.gz GBMIFYWYFCZXDE-CZUORRHYSA-N 2 1 316.405 0.193 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958600357 687787193 /nfs/dbraw/zinc/78/71/93/687787193.db2.gz ZLQZKRZZOXSXFX-XJKSGUPXSA-N 2 1 316.405 0.193 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962013852 688789341 /nfs/dbraw/zinc/78/93/41/688789341.db2.gz WFSLIHDZFFCBDD-ZSHCYNCHSA-N 2 1 317.437 0.681 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)COC)CC1 ZINC001039042253 694284390 /nfs/dbraw/zinc/28/43/90/694284390.db2.gz OKAAQDPVPFOPSZ-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968913083 690423028 /nfs/dbraw/zinc/42/30/28/690423028.db2.gz BHYAWPKOCYAXIT-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968913083 690423031 /nfs/dbraw/zinc/42/30/31/690423031.db2.gz BHYAWPKOCYAXIT-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913083 690423036 /nfs/dbraw/zinc/42/30/36/690423036.db2.gz BHYAWPKOCYAXIT-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913083 690423039 /nfs/dbraw/zinc/42/30/39/690423039.db2.gz BHYAWPKOCYAXIT-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001009624980 691077017 /nfs/dbraw/zinc/07/70/17/691077017.db2.gz CBBZCRMFLGBGBU-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016986190 692821489 /nfs/dbraw/zinc/82/14/89/692821489.db2.gz NIQBEAGZEXEREL-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016986190 692821492 /nfs/dbraw/zinc/82/14/92/692821492.db2.gz NIQBEAGZEXEREL-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019169740 693376341 /nfs/dbraw/zinc/37/63/41/693376341.db2.gz HVBHDJMEGLDLJL-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC001072852964 694675187 /nfs/dbraw/zinc/67/51/87/694675187.db2.gz VGMOBQRTVRJIOP-UHFFFAOYSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433987 694726425 /nfs/dbraw/zinc/72/64/25/694726425.db2.gz YVFJNZZCUAAKGX-OAHLLOKOSA-N 2 1 305.422 0.122 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760770 694661348 /nfs/dbraw/zinc/66/13/48/694661348.db2.gz NEZXMJKSGFIZRM-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760770 694661349 /nfs/dbraw/zinc/66/13/49/694661349.db2.gz NEZXMJKSGFIZRM-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760770 694661350 /nfs/dbraw/zinc/66/13/50/694661350.db2.gz NEZXMJKSGFIZRM-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072921567 694684623 /nfs/dbraw/zinc/68/46/23/694684623.db2.gz IISXSAKXOWNFMS-HNNXBMFYSA-N 2 1 312.417 0.921 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072921567 694684625 /nfs/dbraw/zinc/68/46/25/694684625.db2.gz IISXSAKXOWNFMS-HNNXBMFYSA-N 2 1 312.417 0.921 20 30 DCEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073564502 694743535 /nfs/dbraw/zinc/74/35/35/694743535.db2.gz ZXXKFQFKZZHPKF-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073564502 694743537 /nfs/dbraw/zinc/74/35/37/694743537.db2.gz ZXXKFQFKZZHPKF-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564502 694743540 /nfs/dbraw/zinc/74/35/40/694743540.db2.gz ZXXKFQFKZZHPKF-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564502 694743541 /nfs/dbraw/zinc/74/35/41/694743541.db2.gz ZXXKFQFKZZHPKF-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001073741087 694775327 /nfs/dbraw/zinc/77/53/27/694775327.db2.gz OKOYRQMDSMGKDI-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001073741087 694775328 /nfs/dbraw/zinc/77/53/28/694775328.db2.gz OKOYRQMDSMGKDI-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001073741087 694775329 /nfs/dbraw/zinc/77/53/29/694775329.db2.gz OKOYRQMDSMGKDI-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001073741087 694775331 /nfs/dbraw/zinc/77/53/31/694775331.db2.gz OKOYRQMDSMGKDI-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001570439834 1162519353 /nfs/dbraw/zinc/51/93/53/1162519353.db2.gz GAGFJNNZMAZMPG-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001570439834 1162519358 /nfs/dbraw/zinc/51/93/58/1162519358.db2.gz GAGFJNNZMAZMPG-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCC1([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCCC1 ZINC001573310553 1162523138 /nfs/dbraw/zinc/52/31/38/1162523138.db2.gz MEBPMXSJFOFSKS-UHFFFAOYSA-N 2 1 301.456 0.700 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001571588657 1162832361 /nfs/dbraw/zinc/83/23/61/1162832361.db2.gz HQUVKJNCTWEHHO-HIFRSBDPSA-N 2 1 306.410 0.349 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001691162586 1157602705 /nfs/dbraw/zinc/60/27/05/1157602705.db2.gz CQJPYZGEDGXOMK-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001691162586 1157602706 /nfs/dbraw/zinc/60/27/06/1157602706.db2.gz CQJPYZGEDGXOMK-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001672503302 1157957384 /nfs/dbraw/zinc/95/73/84/1157957384.db2.gz JNAZRKFGDBPZKB-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001672503302 1157957386 /nfs/dbraw/zinc/95/73/86/1157957386.db2.gz JNAZRKFGDBPZKB-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001672503302 1157957390 /nfs/dbraw/zinc/95/73/90/1157957390.db2.gz JNAZRKFGDBPZKB-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691528457 1158214248 /nfs/dbraw/zinc/21/42/48/1158214248.db2.gz PSUVVDRUDJBBCS-OWCLPIDISA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691528457 1158214250 /nfs/dbraw/zinc/21/42/50/1158214250.db2.gz PSUVVDRUDJBBCS-OWCLPIDISA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691528457 1158214255 /nfs/dbraw/zinc/21/42/55/1158214255.db2.gz PSUVVDRUDJBBCS-OWCLPIDISA-N 2 1 309.454 0.798 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nccn2C)CC1 ZINC001691619576 1158360215 /nfs/dbraw/zinc/36/02/15/1158360215.db2.gz SMKXSPBVGAUXAE-UHFFFAOYSA-N 2 1 317.437 0.313 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCOC)CC1 ZINC001565835271 1159905210 /nfs/dbraw/zinc/90/52/10/1159905210.db2.gz KJZGAZUGSVEALV-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001565911401 1159922288 /nfs/dbraw/zinc/92/22/88/1159922288.db2.gz APEFIISNFHCGAT-DLBZAZTESA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC2CC2)CC1 ZINC001566649740 1160111640 /nfs/dbraw/zinc/11/16/40/1160111640.db2.gz GWUSJROTJYBLLW-KRWDZBQOSA-N 2 1 318.465 0.228 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC2CC2)CC1 ZINC001566649740 1160111641 /nfs/dbraw/zinc/11/16/41/1160111641.db2.gz GWUSJROTJYBLLW-KRWDZBQOSA-N 2 1 318.465 0.228 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566672238 1160124743 /nfs/dbraw/zinc/12/47/43/1160124743.db2.gz JFWPPDCUMRQSKX-DZGCQCFKSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566672238 1160124746 /nfs/dbraw/zinc/12/47/46/1160124746.db2.gz JFWPPDCUMRQSKX-DZGCQCFKSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOC(C)C)C1 ZINC001566841857 1160165145 /nfs/dbraw/zinc/16/51/45/1160165145.db2.gz IHZXWQNRQXJHDZ-XHSDSOJGSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOC(C)C)C1 ZINC001566841857 1160165148 /nfs/dbraw/zinc/16/51/48/1160165148.db2.gz IHZXWQNRQXJHDZ-XHSDSOJGSA-N 2 1 307.438 0.746 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001566951547 1160192567 /nfs/dbraw/zinc/19/25/67/1160192567.db2.gz LHCIWOHKSDEWMA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920641 1160536678 /nfs/dbraw/zinc/53/66/78/1160536678.db2.gz IVMOEWPWCFIMMN-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920641 1160536686 /nfs/dbraw/zinc/53/66/86/1160536686.db2.gz IVMOEWPWCFIMMN-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001568002535 1160561039 /nfs/dbraw/zinc/56/10/39/1160561039.db2.gz YHYCGAIBSUFSEP-UHFFFAOYSA-N 2 1 318.421 0.860 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001568114892 1160579055 /nfs/dbraw/zinc/57/90/55/1160579055.db2.gz SARYUQJKUCFYEE-SHTZXODSSA-N 2 1 324.469 0.646 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001569759951 1161231308 /nfs/dbraw/zinc/23/13/08/1161231308.db2.gz PWJUTAPTPUTAFV-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CCC=C)C2)CC1 ZINC001569765050 1161234110 /nfs/dbraw/zinc/23/41/10/1161234110.db2.gz IYXNSQQCNRRMNJ-SFHVURJKSA-N 2 1 319.449 0.461 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569765824 1161234305 /nfs/dbraw/zinc/23/43/05/1161234305.db2.gz RSUAAGNAWLADRD-WBVHZDCISA-N 2 1 307.438 0.293 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC#CCOC)C1 ZINC001569851227 1161284932 /nfs/dbraw/zinc/28/49/32/1161284932.db2.gz RUVMQQRGRPAGLI-JKSUJKDBSA-N 2 1 309.454 0.662 20 30 DCEDMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC#CC[NH+](C)C ZINC001639133744 1171823290 /nfs/dbraw/zinc/82/32/90/1171823290.db2.gz IUUSPCAZOHIPFA-UHFFFAOYSA-N 2 1 311.474 0.076 20 30 DCEDMP CN(CCCN(C)C(=O)NCC#CC[NH+](C)C)CC[NH+](C)C ZINC001639133744 1171823297 /nfs/dbraw/zinc/82/32/97/1171823297.db2.gz IUUSPCAZOHIPFA-UHFFFAOYSA-N 2 1 311.474 0.076 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOC(C)C)C1 ZINC001656203246 1173851564 /nfs/dbraw/zinc/85/15/64/1173851564.db2.gz GPNHULSUQYARDN-ULQDDVLXSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOC(C)C)C1 ZINC001656203246 1173851567 /nfs/dbraw/zinc/85/15/67/1173851567.db2.gz GPNHULSUQYARDN-ULQDDVLXSA-N 2 1 321.465 0.993 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001656847939 1173888296 /nfs/dbraw/zinc/88/82/96/1173888296.db2.gz SKIXDIFLFLBZLQ-SJORKVTESA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001661435110 1174125330 /nfs/dbraw/zinc/12/53/30/1174125330.db2.gz HDCTUXHDPKSNGJ-FPCVCCKLSA-N 2 1 307.438 0.482 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001661435110 1174125331 /nfs/dbraw/zinc/12/53/31/1174125331.db2.gz HDCTUXHDPKSNGJ-FPCVCCKLSA-N 2 1 307.438 0.482 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001662877878 1174249706 /nfs/dbraw/zinc/24/97/06/1174249706.db2.gz INAFCTMLBPKTDP-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001662877878 1174249710 /nfs/dbraw/zinc/24/97/10/1174249710.db2.gz INAFCTMLBPKTDP-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001662877878 1174249714 /nfs/dbraw/zinc/24/97/14/1174249714.db2.gz INAFCTMLBPKTDP-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001662877878 1174249717 /nfs/dbraw/zinc/24/97/17/1174249717.db2.gz INAFCTMLBPKTDP-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001664467619 1174434349 /nfs/dbraw/zinc/43/43/49/1174434349.db2.gz NKFZKFVGJHOIQS-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001664467619 1174434354 /nfs/dbraw/zinc/43/43/54/1174434354.db2.gz NKFZKFVGJHOIQS-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001665305000 1174503664 /nfs/dbraw/zinc/50/36/64/1174503664.db2.gz CYMPYCJDEYLLPM-KRWDZBQOSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001665305000 1174503672 /nfs/dbraw/zinc/50/36/72/1174503672.db2.gz CYMPYCJDEYLLPM-KRWDZBQOSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001665512704 1174528605 /nfs/dbraw/zinc/52/86/05/1174528605.db2.gz MTASUNNKUAYBPF-KBPBESRZSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001665512704 1174528607 /nfs/dbraw/zinc/52/86/07/1174528607.db2.gz MTASUNNKUAYBPF-KBPBESRZSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001665512704 1174528609 /nfs/dbraw/zinc/52/86/09/1174528609.db2.gz MTASUNNKUAYBPF-KBPBESRZSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001665512704 1174528613 /nfs/dbraw/zinc/52/86/13/1174528613.db2.gz MTASUNNKUAYBPF-KBPBESRZSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001665642545 1174546813 /nfs/dbraw/zinc/54/68/13/1174546813.db2.gz VZHZOHCVLTWDBF-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001665642545 1174546817 /nfs/dbraw/zinc/54/68/17/1174546817.db2.gz VZHZOHCVLTWDBF-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001667701581 1174702410 /nfs/dbraw/zinc/70/24/10/1174702410.db2.gz NJIPOLSHTBCODR-IAGOWNOFSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001667701581 1174702414 /nfs/dbraw/zinc/70/24/14/1174702414.db2.gz NJIPOLSHTBCODR-IAGOWNOFSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001667701581 1174702418 /nfs/dbraw/zinc/70/24/18/1174702418.db2.gz NJIPOLSHTBCODR-IAGOWNOFSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001669974423 1174967588 /nfs/dbraw/zinc/96/75/88/1174967588.db2.gz VCTRENWRGVWAQH-SJORKVTESA-N 2 1 321.465 0.997 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001671849492 1175040053 /nfs/dbraw/zinc/04/00/53/1175040053.db2.gz SJXKAVVFKFDHFU-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001671999373 1175059151 /nfs/dbraw/zinc/05/91/51/1175059151.db2.gz XBDKXINAFJNXHH-DOTOQJQBSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001671999373 1175059158 /nfs/dbraw/zinc/05/91/58/1175059158.db2.gz XBDKXINAFJNXHH-DOTOQJQBSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001671999373 1175059166 /nfs/dbraw/zinc/05/91/66/1175059166.db2.gz XBDKXINAFJNXHH-DOTOQJQBSA-N 2 1 307.438 0.436 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001672352518 1175102168 /nfs/dbraw/zinc/10/21/68/1175102168.db2.gz DCEMQRNDZKUWOQ-BJWYYQGGSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001672496724 1175118193 /nfs/dbraw/zinc/11/81/93/1175118193.db2.gz YCMDWLONLBMOTH-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001673397240 1175199962 /nfs/dbraw/zinc/19/99/62/1175199962.db2.gz PRVCRVHCOKSTKD-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001676584411 1175464915 /nfs/dbraw/zinc/46/49/15/1175464915.db2.gz WOWWXGMTOJNNFS-CZUORRHYSA-N 2 1 315.433 0.842 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001677116943 1175530723 /nfs/dbraw/zinc/53/07/23/1175530723.db2.gz YLJOIJGASHLSOG-ZBFHGGJFSA-N 2 1 320.437 0.739 20 30 DCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001677160348 1175539136 /nfs/dbraw/zinc/53/91/36/1175539136.db2.gz FBHAHSDAASUVEK-GOEBONIOSA-N 2 1 320.437 0.773 20 30 DCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001677160349 1175540367 /nfs/dbraw/zinc/54/03/67/1175540367.db2.gz FBHAHSDAASUVEK-HOCLYGCPSA-N 2 1 320.437 0.773 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001677441055 1175564629 /nfs/dbraw/zinc/56/46/29/1175564629.db2.gz DXIPIQKFSZBGOH-NFOMZHRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001688791977 1176621285 /nfs/dbraw/zinc/62/12/85/1176621285.db2.gz XFZOJVDCDHDVIO-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001690159102 1177183056 /nfs/dbraw/zinc/18/30/56/1177183056.db2.gz UFHHQWKXXOYSOC-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC#CCOC)[NH+](C)C ZINC001690454254 1177249547 /nfs/dbraw/zinc/24/95/47/1177249547.db2.gz AAASLLWFSDMBNJ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC#CCOC)[NH+](C)C ZINC001690454254 1177249552 /nfs/dbraw/zinc/24/95/52/1177249552.db2.gz AAASLLWFSDMBNJ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001691984524 1177397291 /nfs/dbraw/zinc/39/72/91/1177397291.db2.gz JMUOOYZZOCOXJW-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001691984524 1177397301 /nfs/dbraw/zinc/39/73/01/1177397301.db2.gz JMUOOYZZOCOXJW-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001692037093 1177407822 /nfs/dbraw/zinc/40/78/22/1177407822.db2.gz UCFFQBLEQHUOOG-IAGOWNOFSA-N 2 1 321.465 0.800 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692046049 1177409303 /nfs/dbraw/zinc/40/93/03/1177409303.db2.gz IDMDEGUIONEKRJ-MRXNPFEDSA-N 2 1 307.438 0.391 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692046577 1177409686 /nfs/dbraw/zinc/40/96/86/1177409686.db2.gz WVHKXRAANMGLTO-MRXNPFEDSA-N 2 1 309.454 0.944 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)C1=O ZINC001698568060 1177560825 /nfs/dbraw/zinc/56/08/25/1177560825.db2.gz AJRPAFQEZXMITA-CABCVRRESA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)C1=O ZINC001698568060 1177560827 /nfs/dbraw/zinc/56/08/27/1177560827.db2.gz AJRPAFQEZXMITA-CABCVRRESA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)C1=O ZINC001698568066 1177561699 /nfs/dbraw/zinc/56/16/99/1177561699.db2.gz AJRPAFQEZXMITA-LSDHHAIUSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)C1=O ZINC001698568066 1177561703 /nfs/dbraw/zinc/56/17/03/1177561703.db2.gz AJRPAFQEZXMITA-LSDHHAIUSA-N 2 1 322.453 0.258 20 30 DCEDMP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001698946857 1177732680 /nfs/dbraw/zinc/73/26/80/1177732680.db2.gz NNEGNYXDBPCTLB-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001698946856 1177733176 /nfs/dbraw/zinc/73/31/76/1177733176.db2.gz NNEGNYXDBPCTLB-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCOC1 ZINC001699407984 1178123953 /nfs/dbraw/zinc/12/39/53/1178123953.db2.gz YEPQAYFNFABHAV-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCOC1 ZINC001699407984 1178123956 /nfs/dbraw/zinc/12/39/56/1178123956.db2.gz YEPQAYFNFABHAV-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463863 1178149796 /nfs/dbraw/zinc/14/97/96/1178149796.db2.gz KYBXFDLCWMDQBN-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001699632125 1178228502 /nfs/dbraw/zinc/22/85/02/1178228502.db2.gz IKLHIFXUTQVBKE-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001699632125 1178228507 /nfs/dbraw/zinc/22/85/07/1178228507.db2.gz IKLHIFXUTQVBKE-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001699798719 1178288641 /nfs/dbraw/zinc/28/86/41/1178288641.db2.gz KABPVSIXMQIFSC-IRXDYDNUSA-N 2 1 321.465 0.853 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001700001278 1178419936 /nfs/dbraw/zinc/41/99/36/1178419936.db2.gz HZEKGUSRLKOIJA-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001700001278 1178419939 /nfs/dbraw/zinc/41/99/39/1178419939.db2.gz HZEKGUSRLKOIJA-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001700001278 1178419942 /nfs/dbraw/zinc/41/99/42/1178419942.db2.gz HZEKGUSRLKOIJA-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001700300733 1178572626 /nfs/dbraw/zinc/57/26/26/1178572626.db2.gz COXQDNVCFZTXNC-CVEARBPZSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]C[C@@H](C)O)C(C)C ZINC001700713306 1178719024 /nfs/dbraw/zinc/71/90/24/1178719024.db2.gz UFIORVCPRRJQNV-OAGGEKHMSA-N 2 1 309.454 0.585 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]C[C@@H](C)O)C(C)C ZINC001700713306 1178719029 /nfs/dbraw/zinc/71/90/29/1178719029.db2.gz UFIORVCPRRJQNV-OAGGEKHMSA-N 2 1 309.454 0.585 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001707083222 1180413187 /nfs/dbraw/zinc/41/31/87/1180413187.db2.gz QBYLCQYUNJRJKI-BRWVUGGUSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)CC(=O)N(C)C ZINC001707456990 1180520058 /nfs/dbraw/zinc/52/00/58/1180520058.db2.gz SVOSWQLSLSVRDQ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)CC(=O)N(C)C ZINC001707456990 1180520062 /nfs/dbraw/zinc/52/00/62/1180520062.db2.gz SVOSWQLSLSVRDQ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC(=O)N(C)C ZINC001707456990 1180520069 /nfs/dbraw/zinc/52/00/69/1180520069.db2.gz SVOSWQLSLSVRDQ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC(=O)N(C)C ZINC001707456990 1180520075 /nfs/dbraw/zinc/52/00/75/1180520075.db2.gz SVOSWQLSLSVRDQ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713076841 1180670304 /nfs/dbraw/zinc/67/03/04/1180670304.db2.gz HFMHRTNRPRAJAK-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001713078649 1180671701 /nfs/dbraw/zinc/67/17/01/1180671701.db2.gz YRVZJDPDGDLXIT-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC[C@H]1CCCO1 ZINC001713456119 1180835993 /nfs/dbraw/zinc/83/59/93/1180835993.db2.gz DLMCMAQDVWOZBH-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC[C@H]1CCCO1 ZINC001713456119 1180836002 /nfs/dbraw/zinc/83/60/02/1180836002.db2.gz DLMCMAQDVWOZBH-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@H]1CCCO1 ZINC001713456119 1180836012 /nfs/dbraw/zinc/83/60/12/1180836012.db2.gz DLMCMAQDVWOZBH-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@H]1CCCO1 ZINC001713456119 1180836025 /nfs/dbraw/zinc/83/60/25/1180836025.db2.gz DLMCMAQDVWOZBH-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001713728695 1181031389 /nfs/dbraw/zinc/03/13/89/1181031389.db2.gz QYYBRTURQHFZHT-OAHLLOKOSA-N 2 1 317.437 0.520 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001713755928 1181049702 /nfs/dbraw/zinc/04/97/02/1181049702.db2.gz KOSQOHIOORGYGX-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001714047647 1181224686 /nfs/dbraw/zinc/22/46/86/1181224686.db2.gz DYFASOFVKHZWFP-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001714200858 1181279933 /nfs/dbraw/zinc/27/99/33/1181279933.db2.gz FHEMMOBKLQURKA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001714244771 1181292776 /nfs/dbraw/zinc/29/27/76/1181292776.db2.gz WUKOJEBVZGWQFS-ZBFHGGJFSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001714244771 1181292780 /nfs/dbraw/zinc/29/27/80/1181292780.db2.gz WUKOJEBVZGWQFS-ZBFHGGJFSA-N 2 1 317.437 0.155 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)CC[N@H+]1C ZINC001714392021 1181347532 /nfs/dbraw/zinc/34/75/32/1181347532.db2.gz YZYKNYHFHJBMGE-HRCADAONSA-N 2 1 309.454 0.708 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001714476783 1181383295 /nfs/dbraw/zinc/38/32/95/1181383295.db2.gz SBMXPNBNCHMWNJ-CYBMUJFWSA-N 2 1 322.409 0.484 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001714648803 1181460516 /nfs/dbraw/zinc/46/05/16/1181460516.db2.gz URYFBGYGHCUVAO-HNNXBMFYSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001715203407 1181714238 /nfs/dbraw/zinc/71/42/38/1181714238.db2.gz GUCRTUCXVVUNHW-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001715203407 1181714243 /nfs/dbraw/zinc/71/42/43/1181714243.db2.gz GUCRTUCXVVUNHW-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001715379224 1181796317 /nfs/dbraw/zinc/79/63/17/1181796317.db2.gz SSVGENZSBYUHJE-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001715774434 1181989131 /nfs/dbraw/zinc/98/91/31/1181989131.db2.gz WEWJJXALPLCRKF-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC[C@H]1CCOC1 ZINC001715933988 1182107031 /nfs/dbraw/zinc/10/70/31/1182107031.db2.gz GCHBSKHSSXKIHA-IKGGRYGDSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC[C@H]1CCOC1 ZINC001715933988 1182107036 /nfs/dbraw/zinc/10/70/36/1182107036.db2.gz GCHBSKHSSXKIHA-IKGGRYGDSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716029490 1182152879 /nfs/dbraw/zinc/15/28/79/1182152879.db2.gz NGHYVLJYBCHFQS-HIFRSBDPSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716029490 1182152881 /nfs/dbraw/zinc/15/28/81/1182152881.db2.gz NGHYVLJYBCHFQS-HIFRSBDPSA-N 2 1 322.453 0.067 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001716087260 1182182842 /nfs/dbraw/zinc/18/28/42/1182182842.db2.gz CEZKLCGJMLZZGZ-UONOGXRCSA-N 2 1 306.410 0.487 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716217916 1182259940 /nfs/dbraw/zinc/25/99/40/1182259940.db2.gz MEXSIAJXADIZNO-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001716809029 1182532689 /nfs/dbraw/zinc/53/26/89/1182532689.db2.gz QUFFRDPPBFLAKJ-ZFWWWQNUSA-N 2 1 322.453 0.127 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001716861034 1182552913 /nfs/dbraw/zinc/55/29/13/1182552913.db2.gz VYROPEUUHOBCKC-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001717051158 1182649275 /nfs/dbraw/zinc/64/92/75/1182649275.db2.gz WHYTUEQTOTXBIP-HNNXBMFYSA-N 2 1 321.425 0.387 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001717051158 1182649277 /nfs/dbraw/zinc/64/92/77/1182649277.db2.gz WHYTUEQTOTXBIP-HNNXBMFYSA-N 2 1 321.425 0.387 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001717145849 1182695330 /nfs/dbraw/zinc/69/53/30/1182695330.db2.gz ZAGWUFOOOICPRH-MRXNPFEDSA-N 2 1 318.421 0.812 20 30 DCEDMP CC#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001717287556 1182768647 /nfs/dbraw/zinc/76/86/47/1182768647.db2.gz OFHKVTDASRSBFU-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)CC1(C)C)[NH+](C)C ZINC001717582663 1182911228 /nfs/dbraw/zinc/91/12/28/1182911228.db2.gz NQAWIQMCNCVTFQ-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)CC1(C)C)[NH+](C)C ZINC001717582663 1182911229 /nfs/dbraw/zinc/91/12/29/1182911229.db2.gz NQAWIQMCNCVTFQ-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724410605 1184433664 /nfs/dbraw/zinc/43/36/64/1184433664.db2.gz IJADHBFHGHBMSY-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001724623052 1184477710 /nfs/dbraw/zinc/47/77/10/1184477710.db2.gz YMQMFTIDWQQJGZ-WCXIOVBPSA-N 2 1 321.465 0.919 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001724623052 1184477711 /nfs/dbraw/zinc/47/77/11/1184477711.db2.gz YMQMFTIDWQQJGZ-WCXIOVBPSA-N 2 1 321.465 0.919 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001724623052 1184477717 /nfs/dbraw/zinc/47/77/17/1184477717.db2.gz YMQMFTIDWQQJGZ-WCXIOVBPSA-N 2 1 321.465 0.919 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001724736658 1184540550 /nfs/dbraw/zinc/54/05/50/1184540550.db2.gz CFBGIOTUNYODFB-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001724847873 1184590527 /nfs/dbraw/zinc/59/05/27/1184590527.db2.gz KRZDFXVPJOFUPY-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001724847873 1184590536 /nfs/dbraw/zinc/59/05/36/1184590536.db2.gz KRZDFXVPJOFUPY-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001724915699 1184618112 /nfs/dbraw/zinc/61/81/12/1184618112.db2.gz XVNTWNDBLIEYAA-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001725004911 1184653215 /nfs/dbraw/zinc/65/32/15/1184653215.db2.gz ZTNBBFCVFXCSKJ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001725487306 1184843472 /nfs/dbraw/zinc/84/34/72/1184843472.db2.gz BSOLUOSDEJOFQG-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCOCC1 ZINC001725493230 1184845897 /nfs/dbraw/zinc/84/58/97/1184845897.db2.gz CCKVQEHFWCCPJK-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCOCC1 ZINC001725493230 1184845902 /nfs/dbraw/zinc/84/59/02/1184845902.db2.gz CCKVQEHFWCCPJK-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)C[C@H]1CCOC1 ZINC001731321818 1185265317 /nfs/dbraw/zinc/26/53/17/1185265317.db2.gz GDFTVRVQWLEZRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)C[C@H]1CCOC1 ZINC001731321818 1185265321 /nfs/dbraw/zinc/26/53/21/1185265321.db2.gz GDFTVRVQWLEZRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C[C@H]1CCOC1 ZINC001731321818 1185265324 /nfs/dbraw/zinc/26/53/24/1185265324.db2.gz GDFTVRVQWLEZRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C[C@H]1CCOC1 ZINC001731321818 1185265328 /nfs/dbraw/zinc/26/53/28/1185265328.db2.gz GDFTVRVQWLEZRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC(C)C)CC1 ZINC001731369170 1185301767 /nfs/dbraw/zinc/30/17/67/1185301767.db2.gz ZNXHCIHLPHMDKG-KRWDZBQOSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC(C)C)CC1 ZINC001731369170 1185301774 /nfs/dbraw/zinc/30/17/74/1185301774.db2.gz ZNXHCIHLPHMDKG-KRWDZBQOSA-N 2 1 320.481 0.474 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001731487515 1185356093 /nfs/dbraw/zinc/35/60/93/1185356093.db2.gz JRXBHTNIAUUZGN-TWMKSMIVSA-N 2 1 319.449 0.890 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001731565929 1185392779 /nfs/dbraw/zinc/39/27/79/1185392779.db2.gz WIJPLXNYJGYUBC-NDVMQCNYSA-N 2 1 319.449 0.555 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001731565929 1185392785 /nfs/dbraw/zinc/39/27/85/1185392785.db2.gz WIJPLXNYJGYUBC-NDVMQCNYSA-N 2 1 319.449 0.555 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001731565929 1185392793 /nfs/dbraw/zinc/39/27/93/1185392793.db2.gz WIJPLXNYJGYUBC-NDVMQCNYSA-N 2 1 319.449 0.555 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731712186 1185453735 /nfs/dbraw/zinc/45/37/35/1185453735.db2.gz FGJNJCAJBYYOFJ-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731712186 1185453741 /nfs/dbraw/zinc/45/37/41/1185453741.db2.gz FGJNJCAJBYYOFJ-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001731738885 1185463487 /nfs/dbraw/zinc/46/34/87/1185463487.db2.gz PAGMOCKNWFJJEJ-PBHICJAKSA-N 2 1 322.453 0.259 20 30 DCEDMP C#CCNC(=O)CN1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001732186294 1185727592 /nfs/dbraw/zinc/72/75/92/1185727592.db2.gz RYXYNWMAQGACPE-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001732186294 1185727596 /nfs/dbraw/zinc/72/75/96/1185727596.db2.gz RYXYNWMAQGACPE-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001732186294 1185727601 /nfs/dbraw/zinc/72/76/01/1185727601.db2.gz RYXYNWMAQGACPE-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001732186294 1185727604 /nfs/dbraw/zinc/72/76/04/1185727604.db2.gz RYXYNWMAQGACPE-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001732186294 1185727607 /nfs/dbraw/zinc/72/76/07/1185727607.db2.gz RYXYNWMAQGACPE-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCOC1 ZINC001732859708 1186019023 /nfs/dbraw/zinc/01/90/23/1186019023.db2.gz JTZIHKVUCSOWDE-YRLOJYSSSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCOC1 ZINC001732859708 1186019029 /nfs/dbraw/zinc/01/90/29/1186019029.db2.gz JTZIHKVUCSOWDE-YRLOJYSSSA-N 2 1 319.449 0.773 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001733079400 1186127519 /nfs/dbraw/zinc/12/75/19/1186127519.db2.gz NLEJDICJKLVZPT-IRXDYDNUSA-N 2 1 321.465 0.997 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001733491457 1186300887 /nfs/dbraw/zinc/30/08/87/1186300887.db2.gz TXRWCNWABWUNAI-MRXNPFEDSA-N 2 1 306.410 0.780 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001733719349 1186414471 /nfs/dbraw/zinc/41/44/71/1186414471.db2.gz ZQJYPMGHSTTZGL-CQSZACIVSA-N 2 1 322.453 0.401 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001734173858 1186567789 /nfs/dbraw/zinc/56/77/89/1186567789.db2.gz KMNOGYUTCBRCHV-VQHPVUNQSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001734174972 1186568653 /nfs/dbraw/zinc/56/86/53/1186568653.db2.gz ZGSCMFXQHZDJMA-PHZGNYQRSA-N 2 1 307.438 0.577 20 30 DCEDMP C#CCC[NH2+][C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001752470922 1188424557 /nfs/dbraw/zinc/42/45/57/1188424557.db2.gz KRILHZKKZWOQQY-HNNXBMFYSA-N 2 1 304.394 0.858 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001752824166 1188447433 /nfs/dbraw/zinc/44/74/33/1188447433.db2.gz QNPHMMMFNIERDA-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001752824166 1188447436 /nfs/dbraw/zinc/44/74/36/1188447436.db2.gz QNPHMMMFNIERDA-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001752973154 1188470314 /nfs/dbraw/zinc/47/03/14/1188470314.db2.gz FWFCLCYMUFPDNI-JKSUJKDBSA-N 2 1 318.421 0.858 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752978643 1188470796 /nfs/dbraw/zinc/47/07/96/1188470796.db2.gz QAQDSFNCDKJKID-HZPDHXFCSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001753095151 1188497146 /nfs/dbraw/zinc/49/71/46/1188497146.db2.gz YOLCGFWOFKTOAF-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001753527723 1188614334 /nfs/dbraw/zinc/61/43/34/1188614334.db2.gz PUGLTHOVNDODRX-MAUKXSAKSA-N 2 1 321.465 0.853 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001753933381 1188688780 /nfs/dbraw/zinc/68/87/80/1188688780.db2.gz KIQXXMIOLNCEMP-DLBZAZTESA-N 2 1 317.433 0.769 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001754664871 1188899815 /nfs/dbraw/zinc/89/98/15/1188899815.db2.gz JGPJTZMCLIHRGE-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001754664871 1188899819 /nfs/dbraw/zinc/89/98/19/1188899819.db2.gz JGPJTZMCLIHRGE-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001754664871 1188899824 /nfs/dbraw/zinc/89/98/24/1188899824.db2.gz JGPJTZMCLIHRGE-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C=C(C)CCN1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001754766988 1188929820 /nfs/dbraw/zinc/92/98/20/1188929820.db2.gz IFGLZMFZFWXDKO-OAHLLOKOSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001754766988 1188929825 /nfs/dbraw/zinc/92/98/25/1188929825.db2.gz IFGLZMFZFWXDKO-OAHLLOKOSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755154663 1189038181 /nfs/dbraw/zinc/03/81/81/1189038181.db2.gz FACAUDPJTABFBC-HNNXBMFYSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001755458405 1189117115 /nfs/dbraw/zinc/11/71/15/1189117115.db2.gz DJAZBZSVXKRJPG-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCCN1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193252 746979514 /nfs/dbraw/zinc/97/95/14/746979514.db2.gz IOYOEQWWFMNAOX-HRCADAONSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193252 746979522 /nfs/dbraw/zinc/97/95/22/746979522.db2.gz IOYOEQWWFMNAOX-HRCADAONSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193252 746979523 /nfs/dbraw/zinc/97/95/23/746979523.db2.gz IOYOEQWWFMNAOX-HRCADAONSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193252 746979528 /nfs/dbraw/zinc/97/95/28/746979528.db2.gz IOYOEQWWFMNAOX-HRCADAONSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087969009 749157986 /nfs/dbraw/zinc/15/79/86/749157986.db2.gz WSDOQZCTMQRPAK-IXDOHACOSA-N 2 1 301.434 0.742 20 30 DCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001088429390 749438058 /nfs/dbraw/zinc/43/80/58/749438058.db2.gz PGWGFIVONRDXNG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001088429390 749438060 /nfs/dbraw/zinc/43/80/60/749438060.db2.gz PGWGFIVONRDXNG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001077091036 750193798 /nfs/dbraw/zinc/19/37/98/750193798.db2.gz KAAQSAKSHIOICM-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001077091036 750193800 /nfs/dbraw/zinc/19/38/00/750193800.db2.gz KAAQSAKSHIOICM-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001077091036 750193803 /nfs/dbraw/zinc/19/38/03/750193803.db2.gz KAAQSAKSHIOICM-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001077130509 750215906 /nfs/dbraw/zinc/21/59/06/750215906.db2.gz BJKCUKGQQAJAMC-MGPQQGTHSA-N 2 1 304.394 0.498 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001077130509 750215911 /nfs/dbraw/zinc/21/59/11/750215911.db2.gz BJKCUKGQQAJAMC-MGPQQGTHSA-N 2 1 304.394 0.498 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105946453 750595407 /nfs/dbraw/zinc/59/54/07/750595407.db2.gz UJTMFONMEMVSND-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001099169400 750938647 /nfs/dbraw/zinc/93/86/47/750938647.db2.gz STYJVLPDCBZAOY-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001099169400 750938650 /nfs/dbraw/zinc/93/86/50/750938650.db2.gz STYJVLPDCBZAOY-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099169400 750938654 /nfs/dbraw/zinc/93/86/54/750938654.db2.gz STYJVLPDCBZAOY-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099169400 750938656 /nfs/dbraw/zinc/93/86/56/750938656.db2.gz STYJVLPDCBZAOY-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046567397 751032835 /nfs/dbraw/zinc/03/28/35/751032835.db2.gz IOEIAFKVPUGMEK-NVXWUHKLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212353496 752645428 /nfs/dbraw/zinc/64/54/28/752645428.db2.gz STXOEQJAIFKHKY-RBSFLKMASA-N 2 1 313.417 0.505 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992821 752832260 /nfs/dbraw/zinc/83/22/60/752832260.db2.gz DYUGKGDLMAHLSK-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992821 752832263 /nfs/dbraw/zinc/83/22/63/752832263.db2.gz DYUGKGDLMAHLSK-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047472869 754311891 /nfs/dbraw/zinc/31/18/91/754311891.db2.gz MHOFMFMZYAGHOW-ULQDDVLXSA-N 2 1 321.465 0.940 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047472869 754311896 /nfs/dbraw/zinc/31/18/96/754311896.db2.gz MHOFMFMZYAGHOW-ULQDDVLXSA-N 2 1 321.465 0.940 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001047527339 754360237 /nfs/dbraw/zinc/36/02/37/754360237.db2.gz CSCNPNRXBKELRE-JYJNAYRXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047527339 754360244 /nfs/dbraw/zinc/36/02/44/754360244.db2.gz CSCNPNRXBKELRE-JYJNAYRXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047527339 754360251 /nfs/dbraw/zinc/36/02/51/754360251.db2.gz CSCNPNRXBKELRE-JYJNAYRXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001047596631 754422366 /nfs/dbraw/zinc/42/23/66/754422366.db2.gz UXEFZIXMSOPRTO-HOTGVXAUSA-N 2 1 318.421 0.841 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001047596631 754422367 /nfs/dbraw/zinc/42/23/67/754422367.db2.gz UXEFZIXMSOPRTO-HOTGVXAUSA-N 2 1 318.421 0.841 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220203 754570116 /nfs/dbraw/zinc/57/01/16/754570116.db2.gz QVUQHPRSJDZYNK-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048831710 754966838 /nfs/dbraw/zinc/96/68/38/754966838.db2.gz AEIYRXXNVKQNIX-YYIAUSFCSA-N 2 1 317.433 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048831710 754966842 /nfs/dbraw/zinc/96/68/42/754966842.db2.gz AEIYRXXNVKQNIX-YYIAUSFCSA-N 2 1 317.433 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048831710 754966846 /nfs/dbraw/zinc/96/68/46/754966846.db2.gz AEIYRXXNVKQNIX-YYIAUSFCSA-N 2 1 317.433 0.263 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833286 754967930 /nfs/dbraw/zinc/96/79/30/754967930.db2.gz MSUYTVGSGVCSIZ-YYIAUSFCSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833286 754967932 /nfs/dbraw/zinc/96/79/32/754967932.db2.gz MSUYTVGSGVCSIZ-YYIAUSFCSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833286 754967934 /nfs/dbraw/zinc/96/79/34/754967934.db2.gz MSUYTVGSGVCSIZ-YYIAUSFCSA-N 2 1 319.449 0.816 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@H]2C1 ZINC001048931166 755024592 /nfs/dbraw/zinc/02/45/92/755024592.db2.gz AVXNUSSUGNZZBM-GASCZTMLSA-N 2 1 321.384 0.904 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215702 755187108 /nfs/dbraw/zinc/18/71/08/755187108.db2.gz JQDJDUPNDLYCHN-HRCADAONSA-N 2 1 307.438 0.531 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001049672758 755356281 /nfs/dbraw/zinc/35/62/81/755356281.db2.gz NTQSRETXJZNPOP-GVDBMIGSSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001049672758 755356284 /nfs/dbraw/zinc/35/62/84/755356284.db2.gz NTQSRETXJZNPOP-GVDBMIGSSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049672758 755356286 /nfs/dbraw/zinc/35/62/86/755356286.db2.gz NTQSRETXJZNPOP-GVDBMIGSSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049672758 755356290 /nfs/dbraw/zinc/35/62/90/755356290.db2.gz NTQSRETXJZNPOP-GVDBMIGSSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C13CC[NH+](CC1)C3)O2 ZINC001053690608 756147920 /nfs/dbraw/zinc/14/79/20/756147920.db2.gz LONKYYYJOMOZGS-HNNXBMFYSA-N 2 1 317.433 0.455 20 30 DCEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001053698695 756151970 /nfs/dbraw/zinc/15/19/70/756151970.db2.gz SJFBDZLNRJESHP-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084714031 757985999 /nfs/dbraw/zinc/98/59/99/757985999.db2.gz KWNIHNBYTJDRGO-GDBMZVCRSA-N 2 1 315.421 0.224 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084714031 757986004 /nfs/dbraw/zinc/98/60/04/757986004.db2.gz KWNIHNBYTJDRGO-GDBMZVCRSA-N 2 1 315.421 0.224 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001050700819 757986100 /nfs/dbraw/zinc/98/61/00/757986100.db2.gz LRGVYFTWDYCENV-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001084844095 758078276 /nfs/dbraw/zinc/07/82/76/758078276.db2.gz GGIDMOAGNHJPHE-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001084844095 758078285 /nfs/dbraw/zinc/07/82/85/758078285.db2.gz GGIDMOAGNHJPHE-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844095 758078293 /nfs/dbraw/zinc/07/82/93/758078293.db2.gz GGIDMOAGNHJPHE-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844095 758078303 /nfs/dbraw/zinc/07/83/03/758078303.db2.gz GGIDMOAGNHJPHE-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051208263 758512769 /nfs/dbraw/zinc/51/27/69/758512769.db2.gz LUASIDSGRLMHSV-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051208263 758512776 /nfs/dbraw/zinc/51/27/76/758512776.db2.gz LUASIDSGRLMHSV-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205358 767934182 /nfs/dbraw/zinc/93/41/82/767934182.db2.gz GJLFAQMHDYZNNT-UHFFFAOYSA-N 2 1 319.449 0.512 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)C[N@@H+](C)CCC)CC2=O)C1 ZINC001108587912 760932470 /nfs/dbraw/zinc/93/24/70/760932470.db2.gz YIJSVFXBGPPPNE-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)C[N@H+](C)CCC)CC2=O)C1 ZINC001108587912 760932471 /nfs/dbraw/zinc/93/24/71/760932471.db2.gz YIJSVFXBGPPPNE-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108832405 761070039 /nfs/dbraw/zinc/07/00/39/761070039.db2.gz RSMMSNHJHUFBNS-ULQDDVLXSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070629914 761362132 /nfs/dbraw/zinc/36/21/32/761362132.db2.gz WSCCJSVFAPGQIZ-KFWWJZLASA-N 2 1 315.421 0.032 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719061 761412518 /nfs/dbraw/zinc/41/25/18/761412518.db2.gz RDEBSVGRBCGGRR-RBSFLKMASA-N 2 1 317.437 0.442 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433322 761647148 /nfs/dbraw/zinc/64/71/48/761647148.db2.gz PUJBGWWMARZSME-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433322 761647154 /nfs/dbraw/zinc/64/71/54/761647154.db2.gz PUJBGWWMARZSME-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071204030 761704165 /nfs/dbraw/zinc/70/41/65/761704165.db2.gz MCNTVRBEVFUOQS-CRAIPNDOSA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871432 763089686 /nfs/dbraw/zinc/08/96/86/763089686.db2.gz DBHNFRUWGIOFNY-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099918575 763124807 /nfs/dbraw/zinc/12/48/07/763124807.db2.gz NMNJYZHTLPXFAV-GJZGRUSLSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099918575 763124810 /nfs/dbraw/zinc/12/48/10/763124810.db2.gz NMNJYZHTLPXFAV-GJZGRUSLSA-N 2 1 306.410 0.709 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099937984 763142885 /nfs/dbraw/zinc/14/28/85/763142885.db2.gz OUVMECWHVXIPLI-GJZGRUSLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099937984 763142890 /nfs/dbraw/zinc/14/28/90/763142890.db2.gz OUVMECWHVXIPLI-GJZGRUSLSA-N 2 1 307.438 0.436 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130192075 763169509 /nfs/dbraw/zinc/16/95/09/763169509.db2.gz GCUOIFGXMMAOPB-UONOGXRCSA-N 2 1 308.426 0.011 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971657 763177505 /nfs/dbraw/zinc/17/75/05/763177505.db2.gz KUMXYGXKDDXLSI-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099985501 763189175 /nfs/dbraw/zinc/18/91/75/763189175.db2.gz CXRFUBVUKRZMFB-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013309 763215954 /nfs/dbraw/zinc/21/59/54/763215954.db2.gz LGDDIQPATHVBCW-CABCVRRESA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013309 763215937 /nfs/dbraw/zinc/21/59/37/763215937.db2.gz LGDDIQPATHVBCW-CABCVRRESA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013309 763215947 /nfs/dbraw/zinc/21/59/47/763215947.db2.gz LGDDIQPATHVBCW-CABCVRRESA-N 2 1 309.454 0.539 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130430817 763299847 /nfs/dbraw/zinc/29/98/47/763299847.db2.gz JCPURONSVXJJOA-AWEZNQCLSA-N 2 1 317.437 0.790 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100115989 763327089 /nfs/dbraw/zinc/32/70/89/763327089.db2.gz JFSNDSDFXKZLRC-IRXDYDNUSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100402025 763552631 /nfs/dbraw/zinc/55/26/31/763552631.db2.gz PFGNJMDEIPGYDK-GPANFISMSA-N 2 1 317.437 0.321 20 30 DCEDMP C=CCOCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100989068 763900892 /nfs/dbraw/zinc/90/08/92/763900892.db2.gz GQNGZBSSCZIGLW-UHFFFAOYSA-N 2 1 306.410 0.879 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171896 763999940 /nfs/dbraw/zinc/99/99/40/763999940.db2.gz PBDMACJIUWGXQG-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171896 763999947 /nfs/dbraw/zinc/99/99/47/763999947.db2.gz PBDMACJIUWGXQG-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171896 763999952 /nfs/dbraw/zinc/99/99/52/763999952.db2.gz PBDMACJIUWGXQG-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132409586 764447330 /nfs/dbraw/zinc/44/73/30/764447330.db2.gz BNVJLNOOKZIDEM-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132409586 764447334 /nfs/dbraw/zinc/44/73/34/764447334.db2.gz BNVJLNOOKZIDEM-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132409586 764447338 /nfs/dbraw/zinc/44/73/38/764447338.db2.gz BNVJLNOOKZIDEM-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132409586 764447343 /nfs/dbraw/zinc/44/73/43/764447343.db2.gz BNVJLNOOKZIDEM-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001132886329 764708725 /nfs/dbraw/zinc/70/87/25/764708725.db2.gz JKWLVPBZSUXYKZ-SOUVJXGZSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092286540 768264656 /nfs/dbraw/zinc/26/46/56/768264656.db2.gz GKVDSZMXHHBEJZ-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092286540 768264661 /nfs/dbraw/zinc/26/46/61/768264661.db2.gz GKVDSZMXHHBEJZ-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092286540 768264665 /nfs/dbraw/zinc/26/46/65/768264665.db2.gz GKVDSZMXHHBEJZ-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092286540 768264668 /nfs/dbraw/zinc/26/46/68/768264668.db2.gz GKVDSZMXHHBEJZ-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983661 765444682 /nfs/dbraw/zinc/44/46/82/765444682.db2.gz OCLLVDXWXDWKSF-BQFCYCMXSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001115773231 765817660 /nfs/dbraw/zinc/81/76/60/765817660.db2.gz SQMHNSXXZQIOCQ-UHFFFAOYSA-N 2 1 307.438 0.751 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090525364 766153078 /nfs/dbraw/zinc/15/30/78/766153078.db2.gz KWKZADZICWNVOT-CABCVRRESA-N 2 1 319.405 0.530 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090650345 766437886 /nfs/dbraw/zinc/43/78/86/766437886.db2.gz JUULTPYGARYTOM-SJORKVTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090650345 766437887 /nfs/dbraw/zinc/43/78/87/766437887.db2.gz JUULTPYGARYTOM-SJORKVTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090732194 766529792 /nfs/dbraw/zinc/52/97/92/766529792.db2.gz AIRXXPJXUAPVFJ-ZBFHGGJFSA-N 2 1 316.405 0.336 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090732194 766529797 /nfs/dbraw/zinc/52/97/97/766529797.db2.gz AIRXXPJXUAPVFJ-ZBFHGGJFSA-N 2 1 316.405 0.336 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](O)C1 ZINC001090826612 766643969 /nfs/dbraw/zinc/64/39/69/766643969.db2.gz BTBPDPIHRJFSIN-IAGOWNOFSA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](O)C1 ZINC001090826612 766643975 /nfs/dbraw/zinc/64/39/75/766643975.db2.gz BTBPDPIHRJFSIN-IAGOWNOFSA-N 2 1 315.417 0.546 20 30 DCEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120879544 767288671 /nfs/dbraw/zinc/28/86/71/767288671.db2.gz WAPIMJNCGPONHK-UKEPKTAJSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120879544 767288674 /nfs/dbraw/zinc/28/86/74/767288674.db2.gz WAPIMJNCGPONHK-UKEPKTAJSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@]2(C)C1 ZINC001091564966 767469119 /nfs/dbraw/zinc/46/91/19/767469119.db2.gz ARCOPSUQIZTNSI-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091564966 767469125 /nfs/dbraw/zinc/46/91/25/767469125.db2.gz ARCOPSUQIZTNSI-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091564966 767469126 /nfs/dbraw/zinc/46/91/26/767469126.db2.gz ARCOPSUQIZTNSI-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091564966 767469131 /nfs/dbraw/zinc/46/91/31/767469131.db2.gz ARCOPSUQIZTNSI-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091564966 767469135 /nfs/dbraw/zinc/46/91/35/767469135.db2.gz ARCOPSUQIZTNSI-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093212328 768481895 /nfs/dbraw/zinc/48/18/95/768481895.db2.gz LSEDCXDCUWDKCP-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093212328 768481900 /nfs/dbraw/zinc/48/19/00/768481900.db2.gz LSEDCXDCUWDKCP-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212328 768481905 /nfs/dbraw/zinc/48/19/05/768481905.db2.gz LSEDCXDCUWDKCP-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212328 768481908 /nfs/dbraw/zinc/48/19/08/768481908.db2.gz LSEDCXDCUWDKCP-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881308 768898897 /nfs/dbraw/zinc/89/88/97/768898897.db2.gz KOJQNAYEHUTKNM-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150333876 769067183 /nfs/dbraw/zinc/06/71/83/769067183.db2.gz QOFVSHZRPFOIKJ-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445737 769815666 /nfs/dbraw/zinc/81/56/66/769815666.db2.gz IDSTUQKRHFEZQJ-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445737 769815677 /nfs/dbraw/zinc/81/56/77/769815677.db2.gz IDSTUQKRHFEZQJ-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153445737 769815686 /nfs/dbraw/zinc/81/56/86/769815686.db2.gz IDSTUQKRHFEZQJ-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153445737 769815696 /nfs/dbraw/zinc/81/56/96/769815696.db2.gz IDSTUQKRHFEZQJ-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854503 769963515 /nfs/dbraw/zinc/96/35/15/769963515.db2.gz GHFJVFVKOMVYQV-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854503 769963521 /nfs/dbraw/zinc/96/35/21/769963521.db2.gz GHFJVFVKOMVYQV-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854503 769963530 /nfs/dbraw/zinc/96/35/30/769963530.db2.gz GHFJVFVKOMVYQV-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854503 769963535 /nfs/dbraw/zinc/96/35/35/769963535.db2.gz GHFJVFVKOMVYQV-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176685604 770153786 /nfs/dbraw/zinc/15/37/86/770153786.db2.gz GEKBHPQJYIWVPS-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176685604 770153789 /nfs/dbraw/zinc/15/37/89/770153789.db2.gz GEKBHPQJYIWVPS-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176685602 770154214 /nfs/dbraw/zinc/15/42/14/770154214.db2.gz GEKBHPQJYIWVPS-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176685602 770154220 /nfs/dbraw/zinc/15/42/20/770154220.db2.gz GEKBHPQJYIWVPS-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001177344620 770416088 /nfs/dbraw/zinc/41/60/88/770416088.db2.gz NCIHBHBVKKQCMN-UHFFFAOYSA-N 2 1 317.433 0.864 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177344620 770416092 /nfs/dbraw/zinc/41/60/92/770416092.db2.gz NCIHBHBVKKQCMN-UHFFFAOYSA-N 2 1 317.433 0.864 20 30 DCEDMP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048432 771316011 /nfs/dbraw/zinc/31/60/11/771316011.db2.gz BBULQLFVUNYYCH-AWEZNQCLSA-N 2 1 316.405 0.724 20 30 DCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001182897215 771572909 /nfs/dbraw/zinc/57/29/09/771572909.db2.gz QYHYMUGLRGDOAY-NVXWUHKLSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183408950 771644950 /nfs/dbraw/zinc/64/49/50/771644950.db2.gz DJXSLJMNRCJIDX-SOLBZPMBSA-N 2 1 321.465 0.662 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184423873 771787153 /nfs/dbraw/zinc/78/71/53/771787153.db2.gz FRFKFPBPNFZMQU-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001159356361 771900503 /nfs/dbraw/zinc/90/05/03/771900503.db2.gz XHSLJIACVUHISQ-LSDHHAIUSA-N 2 1 322.453 0.095 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185303995 771901992 /nfs/dbraw/zinc/90/19/92/771901992.db2.gz AGRPLTDCRJKENX-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161051803 772159469 /nfs/dbraw/zinc/15/94/69/772159469.db2.gz BUXWAJLSOZMFMK-UONOGXRCSA-N 2 1 310.442 0.257 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161857123 772289968 /nfs/dbraw/zinc/28/99/68/772289968.db2.gz LDARRMHGYZQKJP-KRWDZBQOSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161857123 772289975 /nfs/dbraw/zinc/28/99/75/772289975.db2.gz LDARRMHGYZQKJP-KRWDZBQOSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161857123 772289979 /nfs/dbraw/zinc/28/99/79/772289979.db2.gz LDARRMHGYZQKJP-KRWDZBQOSA-N 2 1 319.449 0.726 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001190222053 772603127 /nfs/dbraw/zinc/60/31/27/772603127.db2.gz YKTPATZCLKFODS-HNNXBMFYSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001165911911 772772395 /nfs/dbraw/zinc/77/23/95/772772395.db2.gz GNMRQAACIZQFQO-UHFFFAOYSA-N 2 1 304.394 0.859 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166627381 772831611 /nfs/dbraw/zinc/83/16/11/772831611.db2.gz UOBSRQRHXGFVBS-KBPBESRZSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001193086399 773002278 /nfs/dbraw/zinc/00/22/78/773002278.db2.gz XUXOZFYJCMMRPF-ZJIFWQFVSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001193086399 773002282 /nfs/dbraw/zinc/00/22/82/773002282.db2.gz XUXOZFYJCMMRPF-ZJIFWQFVSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001206940563 773142089 /nfs/dbraw/zinc/14/20/89/773142089.db2.gz ZTASZVXCSRSKBU-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206940563 773142093 /nfs/dbraw/zinc/14/20/93/773142093.db2.gz ZTASZVXCSRSKBU-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208467420 773470013 /nfs/dbraw/zinc/47/00/13/773470013.db2.gz LZCFDUIAAPSOGC-ZDUSSCGKSA-N 2 1 304.394 0.954 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209643737 773629628 /nfs/dbraw/zinc/62/96/28/773629628.db2.gz WGOSYYZWHXHDJU-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210492934 773713819 /nfs/dbraw/zinc/71/38/19/773713819.db2.gz GIFTYRFPHCVCRZ-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728140 773880047 /nfs/dbraw/zinc/88/00/47/773880047.db2.gz BVVITNIPAULWNW-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214610695 774003065 /nfs/dbraw/zinc/00/30/65/774003065.db2.gz CJYCSHUBSWQSRF-BRWVUGGUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCOCC)C1 ZINC001214880371 774021079 /nfs/dbraw/zinc/02/10/79/774021079.db2.gz FNIBNQDBSPVPCZ-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCOCC)C1 ZINC001214880371 774021086 /nfs/dbraw/zinc/02/10/86/774021086.db2.gz FNIBNQDBSPVPCZ-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP N#Cc1c2c(sc1NC(=O)[C@H]([NH3+])Cc1c[nH]cn1)C[NH2+]CC2 ZINC001218551368 774244799 /nfs/dbraw/zinc/24/47/99/774244799.db2.gz MSHZBANFLOBHBP-LLVKDONJSA-N 2 1 316.390 0.497 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645008 774271160 /nfs/dbraw/zinc/27/11/60/774271160.db2.gz BBNRWLUAUKJOAL-JKSUJKDBSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645008 774271165 /nfs/dbraw/zinc/27/11/65/774271165.db2.gz BBNRWLUAUKJOAL-JKSUJKDBSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645008 774271169 /nfs/dbraw/zinc/27/11/69/774271169.db2.gz BBNRWLUAUKJOAL-JKSUJKDBSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645008 774271172 /nfs/dbraw/zinc/27/11/72/774271172.db2.gz BBNRWLUAUKJOAL-JKSUJKDBSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200553833 774361529 /nfs/dbraw/zinc/36/15/29/774361529.db2.gz AZFNTXNCDRFJEY-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCO1 ZINC001200687960 774390658 /nfs/dbraw/zinc/39/06/58/774390658.db2.gz IMWSCDUSYZJRNC-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704208 774395299 /nfs/dbraw/zinc/39/52/99/774395299.db2.gz JGQNXULFWLUSFH-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(C)C)C1 ZINC001200720675 774397837 /nfs/dbraw/zinc/39/78/37/774397837.db2.gz CLJAFTDNDJSHIP-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(C)C)C1 ZINC001200720675 774397844 /nfs/dbraw/zinc/39/78/44/774397844.db2.gz CLJAFTDNDJSHIP-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CCCO1 ZINC001200851654 774417287 /nfs/dbraw/zinc/41/72/87/774417287.db2.gz QWPXSFCGUFUOES-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001201037986 774443436 /nfs/dbraw/zinc/44/34/36/774443436.db2.gz QYMZEVXJAKFVPI-INIZCTEOSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC[C@H](C)O)CC1 ZINC001201094717 774446139 /nfs/dbraw/zinc/44/61/39/774446139.db2.gz VKGHWDFHHXSUML-RDJZCZTQSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC[C@H](C)O)CC1 ZINC001201094717 774446143 /nfs/dbraw/zinc/44/61/43/774446143.db2.gz VKGHWDFHHXSUML-RDJZCZTQSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201239892 774468861 /nfs/dbraw/zinc/46/88/61/774468861.db2.gz LYKIPCWKPBPGIE-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011073 774668711 /nfs/dbraw/zinc/66/87/11/774668711.db2.gz KXQOIAZPKILNRP-YUELXQCFSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011073 774668714 /nfs/dbraw/zinc/66/87/14/774668714.db2.gz KXQOIAZPKILNRP-YUELXQCFSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268697 774750825 /nfs/dbraw/zinc/75/08/25/774750825.db2.gz FLYLLBIHKSEDHR-IMJJTQAJSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994553 774972908 /nfs/dbraw/zinc/97/29/08/774972908.db2.gz WKVYJIFEHAWXBG-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001222612753 775396923 /nfs/dbraw/zinc/39/69/23/775396923.db2.gz KFVSBIXBRSWGEE-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001114832355 776202981 /nfs/dbraw/zinc/20/29/81/776202981.db2.gz PYVBVDSAHVDORJ-LJIGWXMPSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001114852218 776254822 /nfs/dbraw/zinc/25/48/22/776254822.db2.gz OLZQJDIEGPWSNP-LJIGWXMPSA-N 2 1 307.438 0.720 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCOC)C2)C1 ZINC001041368901 777233029 /nfs/dbraw/zinc/23/30/29/777233029.db2.gz SEPARAPTAUOXKR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCOC)C2)C1 ZINC001041368901 777233037 /nfs/dbraw/zinc/23/30/37/777233037.db2.gz SEPARAPTAUOXKR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCOC)C2)C1 ZINC001041368901 777233042 /nfs/dbraw/zinc/23/30/42/777233042.db2.gz SEPARAPTAUOXKR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCOC)C2)C1 ZINC001041368901 777233048 /nfs/dbraw/zinc/23/30/48/777233048.db2.gz SEPARAPTAUOXKR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404370 777256976 /nfs/dbraw/zinc/25/69/76/777256976.db2.gz SSUREJPKGZUJHR-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404370 777256980 /nfs/dbraw/zinc/25/69/80/777256980.db2.gz SSUREJPKGZUJHR-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404370 777256986 /nfs/dbraw/zinc/25/69/86/777256986.db2.gz SSUREJPKGZUJHR-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404370 777256994 /nfs/dbraw/zinc/25/69/94/777256994.db2.gz SSUREJPKGZUJHR-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835878 777531730 /nfs/dbraw/zinc/53/17/30/777531730.db2.gz XHQWKGUQWWBLHS-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1 ZINC001278094607 945133259 /nfs/dbraw/zinc/13/32/59/945133259.db2.gz YFBBCFFXJYBOHG-IRXDYDNUSA-N 2 1 315.417 0.351 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1 ZINC001278094607 945133263 /nfs/dbraw/zinc/13/32/63/945133263.db2.gz YFBBCFFXJYBOHG-IRXDYDNUSA-N 2 1 315.417 0.351 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001317811197 945194262 /nfs/dbraw/zinc/19/42/62/945194262.db2.gz JPHDCVKUDPOMGS-MRXNPFEDSA-N 2 1 301.434 0.793 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001266420796 939112410 /nfs/dbraw/zinc/11/24/10/939112410.db2.gz OAEDCPAQASKGCV-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266439580 939118860 /nfs/dbraw/zinc/11/88/60/939118860.db2.gz RLRBONGOEMVCRX-HOCLYGCPSA-N 2 1 307.438 0.462 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001267217244 939391691 /nfs/dbraw/zinc/39/16/91/939391691.db2.gz BVBGSEKSUZQWEP-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001267217244 939391694 /nfs/dbraw/zinc/39/16/94/939391694.db2.gz BVBGSEKSUZQWEP-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001267335553 939428118 /nfs/dbraw/zinc/42/81/18/939428118.db2.gz ZHHSGMQGCHWENB-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001267474271 939470711 /nfs/dbraw/zinc/47/07/11/939470711.db2.gz OJYLOWSXOKSLBF-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267601921 939544845 /nfs/dbraw/zinc/54/48/45/939544845.db2.gz TYXBUEYPJPHZEJ-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267601921 939544847 /nfs/dbraw/zinc/54/48/47/939544847.db2.gz TYXBUEYPJPHZEJ-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267601921 939544849 /nfs/dbraw/zinc/54/48/49/939544849.db2.gz TYXBUEYPJPHZEJ-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481492418 939900998 /nfs/dbraw/zinc/90/09/98/939900998.db2.gz VDSCAMBVCJXHRT-CYBMUJFWSA-N 2 1 304.394 0.763 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481492418 939901000 /nfs/dbraw/zinc/90/10/00/939901000.db2.gz VDSCAMBVCJXHRT-CYBMUJFWSA-N 2 1 304.394 0.763 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268085975 939932061 /nfs/dbraw/zinc/93/20/61/939932061.db2.gz LABFDXVCAOHQQF-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001268114460 939950269 /nfs/dbraw/zinc/95/02/69/939950269.db2.gz RFPHMXFOBJICNR-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246044280 945327283 /nfs/dbraw/zinc/32/72/83/945327283.db2.gz FYHOQLVRBKPXQO-IIAWOOMASA-N 2 1 312.410 0.025 20 30 DCEDMP C#CCN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273145358 945328223 /nfs/dbraw/zinc/32/82/23/945328223.db2.gz WJWKWVUXBDMNGC-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273145358 945328230 /nfs/dbraw/zinc/32/82/30/945328230.db2.gz WJWKWVUXBDMNGC-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273145358 945328237 /nfs/dbraw/zinc/32/82/37/945328237.db2.gz WJWKWVUXBDMNGC-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001269199190 940645806 /nfs/dbraw/zinc/64/58/06/940645806.db2.gz IHUNBMURFKPUHR-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001269199190 940645809 /nfs/dbraw/zinc/64/58/09/940645809.db2.gz IHUNBMURFKPUHR-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001269199190 940645812 /nfs/dbraw/zinc/64/58/12/940645812.db2.gz IHUNBMURFKPUHR-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001269199190 940645814 /nfs/dbraw/zinc/64/58/14/940645814.db2.gz IHUNBMURFKPUHR-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOCC)C1 ZINC001269250184 940661869 /nfs/dbraw/zinc/66/18/69/940661869.db2.gz AIKHZHZETRECPJ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001284517595 940713281 /nfs/dbraw/zinc/71/32/81/940713281.db2.gz WZRFRCUEAIPSJJ-QGZVFWFLSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCn1cccn1 ZINC001270995382 941237451 /nfs/dbraw/zinc/23/74/51/941237451.db2.gz JRZURCXYTCYQOF-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCn1cccn1 ZINC001270995382 941237453 /nfs/dbraw/zinc/23/74/53/941237453.db2.gz JRZURCXYTCYQOF-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001271017453 941241499 /nfs/dbraw/zinc/24/14/99/941241499.db2.gz QEJLLGUQSOGBAS-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001271017453 941241501 /nfs/dbraw/zinc/24/15/01/941241501.db2.gz QEJLLGUQSOGBAS-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001271017453 941241502 /nfs/dbraw/zinc/24/15/02/941241502.db2.gz QEJLLGUQSOGBAS-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001271017453 941241504 /nfs/dbraw/zinc/24/15/04/941241504.db2.gz QEJLLGUQSOGBAS-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001271154111 941293002 /nfs/dbraw/zinc/29/30/02/941293002.db2.gz YKXQGEAPROPFFZ-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001271154111 941293005 /nfs/dbraw/zinc/29/30/05/941293005.db2.gz YKXQGEAPROPFFZ-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001271154111 941293010 /nfs/dbraw/zinc/29/30/10/941293010.db2.gz YKXQGEAPROPFFZ-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077440637 942407935 /nfs/dbraw/zinc/40/79/35/942407935.db2.gz QYVFJFCCMIWUTN-OAGGEKHMSA-N 2 1 305.422 0.045 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077440637 942407940 /nfs/dbraw/zinc/40/79/40/942407940.db2.gz QYVFJFCCMIWUTN-OAGGEKHMSA-N 2 1 305.422 0.045 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077443935 942457423 /nfs/dbraw/zinc/45/74/23/942457423.db2.gz CXEDJMQJLHJAOW-BRWVUGGUSA-N 2 1 321.465 0.988 20 30 DCEDMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001483988615 943072085 /nfs/dbraw/zinc/07/20/85/943072085.db2.gz HTQFTOWIUKLTSK-CVEARBPZSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001484059826 943122461 /nfs/dbraw/zinc/12/24/61/943122461.db2.gz ZZFPUKWJSDWRDL-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001484059826 943122463 /nfs/dbraw/zinc/12/24/63/943122463.db2.gz ZZFPUKWJSDWRDL-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484216171 943212851 /nfs/dbraw/zinc/21/28/51/943212851.db2.gz JRRUJUMAOBMMMS-UMVBOHGHSA-N 2 1 315.845 0.632 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484216171 943212855 /nfs/dbraw/zinc/21/28/55/943212855.db2.gz JRRUJUMAOBMMMS-UMVBOHGHSA-N 2 1 315.845 0.632 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484216171 943212860 /nfs/dbraw/zinc/21/28/60/943212860.db2.gz JRRUJUMAOBMMMS-UMVBOHGHSA-N 2 1 315.845 0.632 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484216171 943212866 /nfs/dbraw/zinc/21/28/66/943212866.db2.gz JRRUJUMAOBMMMS-UMVBOHGHSA-N 2 1 315.845 0.632 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001484222103 943217165 /nfs/dbraw/zinc/21/71/65/943217165.db2.gz BCEWXLKQDYHEGG-YOEHRIQHSA-N 2 1 316.405 0.022 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484223988 943217668 /nfs/dbraw/zinc/21/76/68/943217668.db2.gz PXSOIPXZPSPRNZ-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484223988 943217672 /nfs/dbraw/zinc/21/76/72/943217672.db2.gz PXSOIPXZPSPRNZ-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484223988 943217679 /nfs/dbraw/zinc/21/76/79/943217679.db2.gz PXSOIPXZPSPRNZ-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001484236463 943239461 /nfs/dbraw/zinc/23/94/61/943239461.db2.gz PNDRJVLDKSQBPJ-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001484236463 943239467 /nfs/dbraw/zinc/23/94/67/943239467.db2.gz PNDRJVLDKSQBPJ-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001484236463 943239473 /nfs/dbraw/zinc/23/94/73/943239473.db2.gz PNDRJVLDKSQBPJ-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484309556 943318856 /nfs/dbraw/zinc/31/88/56/943318856.db2.gz GFWKSVVMWZFLRR-UHFFFAOYSA-N 2 1 309.454 0.992 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484839513 943589290 /nfs/dbraw/zinc/58/92/90/943589290.db2.gz LCOVWWYUUMZOER-WBVHZDCISA-N 2 1 307.438 0.436 20 30 DCEDMP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001485624173 944044859 /nfs/dbraw/zinc/04/48/59/944044859.db2.gz QPKOXMWOYMZMOG-LVQVYYBASA-N 2 1 307.438 0.270 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001485759486 944117203 /nfs/dbraw/zinc/11/72/03/944117203.db2.gz WRDWWOOKCSPUIP-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCn1cccn1 ZINC001272837245 944268937 /nfs/dbraw/zinc/26/89/37/944268937.db2.gz FYUAXIODNJRVGZ-CVEARBPZSA-N 2 1 317.437 0.465 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCn1cccn1 ZINC001272837245 944268945 /nfs/dbraw/zinc/26/89/45/944268945.db2.gz FYUAXIODNJRVGZ-CVEARBPZSA-N 2 1 317.437 0.465 20 30 DCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485998385 944472977 /nfs/dbraw/zinc/47/29/77/944472977.db2.gz WNIAVZNWTTVNFF-CABCVRRESA-N 2 1 309.454 0.894 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001277139968 944676154 /nfs/dbraw/zinc/67/61/54/944676154.db2.gz FVNFMZDVOKGYRJ-QWHCGFSZSA-N 2 1 308.426 0.010 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC[C@@H](C)O)C2)CC1 ZINC001316996438 944730662 /nfs/dbraw/zinc/73/06/62/944730662.db2.gz XZLIHTFXKFUDBZ-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001317179678 944840391 /nfs/dbraw/zinc/84/03/91/944840391.db2.gz WZLULFQVIZMRRL-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001317179678 944840397 /nfs/dbraw/zinc/84/03/97/944840397.db2.gz WZLULFQVIZMRRL-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001277825568 944995848 /nfs/dbraw/zinc/99/58/48/944995848.db2.gz DICILOGZOAFENV-DOMZBBRYSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001277825568 944995850 /nfs/dbraw/zinc/99/58/50/944995850.db2.gz DICILOGZOAFENV-DOMZBBRYSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001317512438 945011031 /nfs/dbraw/zinc/01/10/31/945011031.db2.gz LNXDXEKAOHQPEL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001317512438 945011041 /nfs/dbraw/zinc/01/10/41/945011041.db2.gz LNXDXEKAOHQPEL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001317512438 945011051 /nfs/dbraw/zinc/01/10/51/945011051.db2.gz LNXDXEKAOHQPEL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001317512438 945011063 /nfs/dbraw/zinc/01/10/63/945011063.db2.gz LNXDXEKAOHQPEL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001318485571 945382520 /nfs/dbraw/zinc/38/25/20/945382520.db2.gz ROEJXBXBNJBQJS-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001318485571 945382529 /nfs/dbraw/zinc/38/25/29/945382529.db2.gz ROEJXBXBNJBQJS-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318485571 945382535 /nfs/dbraw/zinc/38/25/35/945382535.db2.gz ROEJXBXBNJBQJS-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[NH2+]C[C@](C)(NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001318730591 945435537 /nfs/dbraw/zinc/43/55/37/945435537.db2.gz WIFNEVSXLWZRRF-QAPCUYQASA-N 2 1 321.465 0.853 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001278582612 945666860 /nfs/dbraw/zinc/66/68/60/945666860.db2.gz NDVNRMDNYQSQJE-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001278582612 945666864 /nfs/dbraw/zinc/66/68/64/945666864.db2.gz NDVNRMDNYQSQJE-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278652910 945874735 /nfs/dbraw/zinc/87/47/35/945874735.db2.gz GRXJJZHZJNDDKK-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278652910 945874745 /nfs/dbraw/zinc/87/47/45/945874745.db2.gz GRXJJZHZJNDDKK-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278652910 945874758 /nfs/dbraw/zinc/87/47/58/945874758.db2.gz GRXJJZHZJNDDKK-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001253576507 946131729 /nfs/dbraw/zinc/13/17/29/946131729.db2.gz FOJZOUINHLIKLA-GVDBMIGSSA-N 2 1 321.465 0.940 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001273261989 946341999 /nfs/dbraw/zinc/34/19/99/946341999.db2.gz ZXLKWPIXRSIUKP-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccon2)CC1 ZINC001321757252 946451355 /nfs/dbraw/zinc/45/13/55/946451355.db2.gz ZVPUDUHNHGUPBU-CYBMUJFWSA-N 2 1 304.394 0.614 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOCC)CC1 ZINC001324439058 947426129 /nfs/dbraw/zinc/42/61/29/947426129.db2.gz FMKFDNJZXWALRV-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP OCC12CCC(CC1)[NH+]2CC#CC[N@@H+]1C2CCC1(CO)CC2 ZINC001262313747 947648195 /nfs/dbraw/zinc/64/81/95/947648195.db2.gz TVEJXRSAQWFVSY-UHFFFAOYSA-N 2 1 304.434 0.968 20 30 DCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325109715 947657506 /nfs/dbraw/zinc/65/75/06/947657506.db2.gz GVUQGRUFRYLPOO-WBVHZDCISA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109715 947657517 /nfs/dbraw/zinc/65/75/17/947657517.db2.gz GVUQGRUFRYLPOO-WBVHZDCISA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109715 947657528 /nfs/dbraw/zinc/65/75/28/947657528.db2.gz GVUQGRUFRYLPOO-WBVHZDCISA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[C@@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001262570684 947728200 /nfs/dbraw/zinc/72/82/00/947728200.db2.gz BRGBILHOQQIPLV-ZWKOTPCHSA-N 2 1 302.418 0.987 20 30 DCEDMP CC#CC[C@@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001262570684 947728210 /nfs/dbraw/zinc/72/82/10/947728210.db2.gz BRGBILHOQQIPLV-ZWKOTPCHSA-N 2 1 302.418 0.987 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001263099668 947808338 /nfs/dbraw/zinc/80/83/38/947808338.db2.gz QUJLMEHDNZHFEK-GJZGRUSLSA-N 2 1 324.469 0.729 20 30 DCEDMP C[NH+](C)CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCC#N)C2)C1 ZINC001273712145 948041702 /nfs/dbraw/zinc/04/17/02/948041702.db2.gz PVQGBOQAQOSFHG-KRWDZBQOSA-N 2 1 322.453 0.793 20 30 DCEDMP C[NH+](C)CCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCCC#N)C2)C1 ZINC001273712145 948041705 /nfs/dbraw/zinc/04/17/05/948041705.db2.gz PVQGBOQAQOSFHG-KRWDZBQOSA-N 2 1 322.453 0.793 20 30 DCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001326341585 948133374 /nfs/dbraw/zinc/13/33/74/948133374.db2.gz WJKNEGDQLHHSPC-HUUCEWRRSA-N 2 1 309.458 0.397 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001327064551 948386400 /nfs/dbraw/zinc/38/64/00/948386400.db2.gz TUCWKIZDLHRHKF-OAHLLOKOSA-N 2 1 322.409 0.211 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001327563745 948552606 /nfs/dbraw/zinc/55/26/06/948552606.db2.gz NFGZGKMIHFJKFT-LZLYRXPVSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1OCC ZINC001263975157 948822854 /nfs/dbraw/zinc/82/28/54/948822854.db2.gz AEDRFCWNUBKPQC-HUUCEWRRSA-N 2 1 306.410 0.831 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001264004367 948831295 /nfs/dbraw/zinc/83/12/95/948831295.db2.gz VPFGDCPWNHCVNK-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264078843 948867739 /nfs/dbraw/zinc/86/77/39/948867739.db2.gz SDHCAFRADPTOPU-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001264078843 948867753 /nfs/dbraw/zinc/86/77/53/948867753.db2.gz SDHCAFRADPTOPU-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001264078843 948867773 /nfs/dbraw/zinc/86/77/73/948867773.db2.gz SDHCAFRADPTOPU-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CCOC)CC1 ZINC001328799269 949101375 /nfs/dbraw/zinc/10/13/75/949101375.db2.gz XFFNXLWLIQAADL-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001265288584 949555463 /nfs/dbraw/zinc/55/54/63/949555463.db2.gz WWRDOWDZMDRWII-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001265288584 949555478 /nfs/dbraw/zinc/55/54/78/949555478.db2.gz WWRDOWDZMDRWII-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001265288584 949555491 /nfs/dbraw/zinc/55/54/91/949555491.db2.gz WWRDOWDZMDRWII-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001265288584 949555504 /nfs/dbraw/zinc/55/55/04/949555504.db2.gz WWRDOWDZMDRWII-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001265288585 949560039 /nfs/dbraw/zinc/56/00/39/949560039.db2.gz WWRDOWDZMDRWII-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001265288585 949560052 /nfs/dbraw/zinc/56/00/52/949560052.db2.gz WWRDOWDZMDRWII-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001265288585 949560064 /nfs/dbraw/zinc/56/00/64/949560064.db2.gz WWRDOWDZMDRWII-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001265288585 949560075 /nfs/dbraw/zinc/56/00/75/949560075.db2.gz WWRDOWDZMDRWII-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265319835 949607917 /nfs/dbraw/zinc/60/79/17/949607917.db2.gz SJIUFQJXIFRROE-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265319835 949607931 /nfs/dbraw/zinc/60/79/31/949607931.db2.gz SJIUFQJXIFRROE-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001265590535 949794412 /nfs/dbraw/zinc/79/44/12/949794412.db2.gz BVGXSAYCZROOMP-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001265744688 949912889 /nfs/dbraw/zinc/91/28/89/949912889.db2.gz RHUMCSRGWRDCTN-UHFFFAOYSA-N 2 1 318.421 0.858 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOCC)C[C@@H]2C1 ZINC001279371531 950552583 /nfs/dbraw/zinc/55/25/83/950552583.db2.gz QBVJVTJDRFKRPU-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCOCC)C[C@@H]2C1 ZINC001279371531 950552596 /nfs/dbraw/zinc/55/25/96/950552596.db2.gz QBVJVTJDRFKRPU-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOCC)C[C@@H]2C1 ZINC001279371531 950552612 /nfs/dbraw/zinc/55/26/12/950552612.db2.gz QBVJVTJDRFKRPU-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOCC)C[C@@H]2C1 ZINC001279371531 950552632 /nfs/dbraw/zinc/55/26/32/950552632.db2.gz QBVJVTJDRFKRPU-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOCC)C[C@@H]2C1 ZINC001279371531 950552642 /nfs/dbraw/zinc/55/26/42/950552642.db2.gz QBVJVTJDRFKRPU-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001279453290 950578253 /nfs/dbraw/zinc/57/82/53/950578253.db2.gz HXPRKZVJRNFMSO-SFHVURJKSA-N 2 1 318.465 0.276 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001490476045 950724972 /nfs/dbraw/zinc/72/49/72/950724972.db2.gz ZGWCCVXNYDEVDR-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001280095974 950768690 /nfs/dbraw/zinc/76/86/90/950768690.db2.gz SKSVVXJVHNVAHI-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC#CCOC ZINC001280458294 950880242 /nfs/dbraw/zinc/88/02/42/950880242.db2.gz YMGMHVLJYRAVGP-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001331160315 950975580 /nfs/dbraw/zinc/97/55/80/950975580.db2.gz BDPKWMDKJVEIDO-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001280770700 951077967 /nfs/dbraw/zinc/07/79/67/951077967.db2.gz VWCHWMIOVZZGCD-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)Cn1ccnc1C ZINC001280883209 951137765 /nfs/dbraw/zinc/13/77/65/951137765.db2.gz GSTTYRBVOUHTGJ-UHFFFAOYSA-N 2 1 306.410 0.622 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001280883209 951137779 /nfs/dbraw/zinc/13/77/79/951137779.db2.gz GSTTYRBVOUHTGJ-UHFFFAOYSA-N 2 1 306.410 0.622 20 30 DCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001331788601 951324420 /nfs/dbraw/zinc/32/44/20/951324420.db2.gz WVPKZDIKFZPBEV-UONOGXRCSA-N 2 1 306.410 0.397 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001274075653 951399937 /nfs/dbraw/zinc/39/99/37/951399937.db2.gz FPVTYGSLEFDIMY-APHBUQMISA-N 2 1 307.438 0.773 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001332199439 951519058 /nfs/dbraw/zinc/51/90/58/951519058.db2.gz PGTNPMPASXDONZ-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001332199439 951519063 /nfs/dbraw/zinc/51/90/63/951519063.db2.gz PGTNPMPASXDONZ-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC001332408434 951633207 /nfs/dbraw/zinc/63/32/07/951633207.db2.gz PCCDSZDCWXLGQV-DOTOQJQBSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC001332408434 951633210 /nfs/dbraw/zinc/63/32/10/951633210.db2.gz PCCDSZDCWXLGQV-DOTOQJQBSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001332408434 951633216 /nfs/dbraw/zinc/63/32/16/951633216.db2.gz PCCDSZDCWXLGQV-DOTOQJQBSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001332408434 951633222 /nfs/dbraw/zinc/63/32/22/951633222.db2.gz PCCDSZDCWXLGQV-DOTOQJQBSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001281820547 953375917 /nfs/dbraw/zinc/37/59/17/953375917.db2.gz IQEUKDQZRJNVPJ-GASCZTMLSA-N 2 1 307.438 0.436 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001281893402 953408289 /nfs/dbraw/zinc/40/82/89/953408289.db2.gz RVYRZZGWFJMRDB-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284066578 954825896 /nfs/dbraw/zinc/82/58/96/954825896.db2.gz HLYWRPVHYUAOON-AEFFLSMTSA-N 2 1 319.449 0.845 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284066578 954825902 /nfs/dbraw/zinc/82/59/02/954825902.db2.gz HLYWRPVHYUAOON-AEFFLSMTSA-N 2 1 319.449 0.845 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001284493037 955126696 /nfs/dbraw/zinc/12/66/96/955126696.db2.gz PMHOFOSXBYIOAF-OWCLPIDISA-N 2 1 309.454 0.491 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001284493037 955126701 /nfs/dbraw/zinc/12/67/01/955126701.db2.gz PMHOFOSXBYIOAF-OWCLPIDISA-N 2 1 309.454 0.491 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001284493037 955126710 /nfs/dbraw/zinc/12/67/10/955126710.db2.gz PMHOFOSXBYIOAF-OWCLPIDISA-N 2 1 309.454 0.491 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cncn1C ZINC001284516087 955148085 /nfs/dbraw/zinc/14/80/85/955148085.db2.gz HVIRNWVJSCYVDV-OAHLLOKOSA-N 2 1 308.426 0.680 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001491773424 959209783 /nfs/dbraw/zinc/20/97/83/959209783.db2.gz GOZCVOHVMFOYND-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001491773424 959209795 /nfs/dbraw/zinc/20/97/95/959209795.db2.gz GOZCVOHVMFOYND-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001377161665 959601999 /nfs/dbraw/zinc/60/19/99/959601999.db2.gz ZEYJFCODMDMKEB-HIFRSBDPSA-N 2 1 315.845 0.776 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001317330525 960076226 /nfs/dbraw/zinc/07/62/26/960076226.db2.gz MFLPDIAKROZWPR-HNNXBMFYSA-N 2 1 306.410 0.832 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317521859 960268356 /nfs/dbraw/zinc/26/83/56/960268356.db2.gz FKDNSEWNLYJGTE-NVXWUHKLSA-N 2 1 321.465 0.969 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001502845878 1016100158 /nfs/dbraw/zinc/10/01/58/1016100158.db2.gz RPFJEBPCHCESIN-UHFFFAOYSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001507231209 1016154152 /nfs/dbraw/zinc/15/41/52/1016154152.db2.gz YDXPGUUGHLXTCG-NVXWUHKLSA-N 2 1 321.465 0.874 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCC=C ZINC001507647453 1016505323 /nfs/dbraw/zinc/50/53/23/1016505323.db2.gz BZCINNMNHYDPFG-CVEARBPZSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCC=C ZINC001507647453 1016505335 /nfs/dbraw/zinc/50/53/35/1016505335.db2.gz BZCINNMNHYDPFG-CVEARBPZSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC=C ZINC001507647453 1016505349 /nfs/dbraw/zinc/50/53/49/1016505349.db2.gz BZCINNMNHYDPFG-CVEARBPZSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC=C ZINC001507647453 1016505362 /nfs/dbraw/zinc/50/53/62/1016505362.db2.gz BZCINNMNHYDPFG-CVEARBPZSA-N 2 1 307.438 0.411 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507717121 1016546174 /nfs/dbraw/zinc/54/61/74/1016546174.db2.gz FMGXRZHJBGBVKZ-ZDUSSCGKSA-N 2 1 315.845 0.586 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507717121 1016546185 /nfs/dbraw/zinc/54/61/85/1016546185.db2.gz FMGXRZHJBGBVKZ-ZDUSSCGKSA-N 2 1 315.845 0.586 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001442975336 1009991588 /nfs/dbraw/zinc/99/15/88/1009991588.db2.gz QBGPUXWKBGLCAB-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001423252550 1011018957 /nfs/dbraw/zinc/01/89/57/1011018957.db2.gz SPZSOISLMRYHBJ-KBPBESRZSA-N 2 1 317.861 0.928 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001423252550 1011018959 /nfs/dbraw/zinc/01/89/59/1011018959.db2.gz SPZSOISLMRYHBJ-KBPBESRZSA-N 2 1 317.861 0.928 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001501359477 1019094729 /nfs/dbraw/zinc/09/47/29/1019094729.db2.gz DHKKBCHXLTWBEA-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001501359477 1019094746 /nfs/dbraw/zinc/09/47/46/1019094746.db2.gz DHKKBCHXLTWBEA-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001501359477 1019094763 /nfs/dbraw/zinc/09/47/63/1019094763.db2.gz DHKKBCHXLTWBEA-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001501359493 1019095703 /nfs/dbraw/zinc/09/57/03/1019095703.db2.gz DKNBPXOLCOSLQF-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001501359493 1019095720 /nfs/dbraw/zinc/09/57/20/1019095720.db2.gz DKNBPXOLCOSLQF-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001501359493 1019095731 /nfs/dbraw/zinc/09/57/31/1019095731.db2.gz DKNBPXOLCOSLQF-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001493726191 1019661400 /nfs/dbraw/zinc/66/14/00/1019661400.db2.gz QZHPPXRREVOAEZ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001502088131 1019700842 /nfs/dbraw/zinc/70/08/42/1019700842.db2.gz WRWIMURDRIKKJR-ZDUSSCGKSA-N 2 1 303.834 0.898 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)c1ccccc1F ZINC000264086981 238190193 /nfs/dbraw/zinc/19/01/93/238190193.db2.gz JUAAPWUONSIMSW-HNNXBMFYSA-N 2 1 324.400 0.486 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000491656343 533104859 /nfs/dbraw/zinc/10/48/59/533104859.db2.gz SFEAFXHXLWNBQF-MRXNPFEDSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000491656343 533104867 /nfs/dbraw/zinc/10/48/67/533104867.db2.gz SFEAFXHXLWNBQF-MRXNPFEDSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000491656343 533104871 /nfs/dbraw/zinc/10/48/71/533104871.db2.gz SFEAFXHXLWNBQF-MRXNPFEDSA-N 2 1 323.485 0.267 20 30 DCEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595978004 396702326 /nfs/dbraw/zinc/70/23/26/396702326.db2.gz RPMXPKWSYYDYKU-CVEARBPZSA-N 2 1 321.469 0.634 20 30 DCEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595978004 396702328 /nfs/dbraw/zinc/70/23/28/396702328.db2.gz RPMXPKWSYYDYKU-CVEARBPZSA-N 2 1 321.469 0.634 20 30 DCEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@@H+](C)C2CCC2)c1C#N ZINC000600814987 396949667 /nfs/dbraw/zinc/94/96/67/396949667.db2.gz NBGHKCOISLOWNP-UHFFFAOYSA-N 2 1 304.398 0.856 20 30 DCEDMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000329760487 416189186 /nfs/dbraw/zinc/18/91/86/416189186.db2.gz QFJUHXFROJBWQK-CWRNSKLLSA-N 2 1 324.469 0.772 20 30 DCEDMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000329760487 416189189 /nfs/dbraw/zinc/18/91/89/416189189.db2.gz QFJUHXFROJBWQK-CWRNSKLLSA-N 2 1 324.469 0.772 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000491503906 416603125 /nfs/dbraw/zinc/60/31/25/416603125.db2.gz FNTPZRXWLZRDCH-MRXNPFEDSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000491748700 416623754 /nfs/dbraw/zinc/62/37/54/416623754.db2.gz TXVFCRVQBLTPML-MRXNPFEDSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000491748700 416623759 /nfs/dbraw/zinc/62/37/59/416623759.db2.gz TXVFCRVQBLTPML-MRXNPFEDSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000491748700 416623764 /nfs/dbraw/zinc/62/37/64/416623764.db2.gz TXVFCRVQBLTPML-MRXNPFEDSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CC[C@]1(C(=O)NCCCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662758737 417893778 /nfs/dbraw/zinc/89/37/78/417893778.db2.gz SIEPZGWRLGCRFN-QGZVFWFLSA-N 2 1 308.470 0.829 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654431628 418144610 /nfs/dbraw/zinc/14/46/10/418144610.db2.gz UAQZJENCGDKURL-JKSUJKDBSA-N 2 1 322.453 0.487 20 30 DCEDMP C#CCC[NH+](CCCNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001566604088 1160090833 /nfs/dbraw/zinc/09/08/33/1160090833.db2.gz NYEMWTXVOGCFHP-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+](CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001566604088 1160090840 /nfs/dbraw/zinc/09/08/40/1160090840.db2.gz NYEMWTXVOGCFHP-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CC1 ZINC001566604088 1160090849 /nfs/dbraw/zinc/09/08/49/1160090849.db2.gz NYEMWTXVOGCFHP-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CC1 ZINC001566604088 1160090858 /nfs/dbraw/zinc/09/08/58/1160090858.db2.gz NYEMWTXVOGCFHP-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C[NH+]=C(NCCS(C)(=O)=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262460762 526363007 /nfs/dbraw/zinc/36/30/07/526363007.db2.gz MJWLZJGDQJQKIC-CYBMUJFWSA-N 2 1 316.471 0.167 20 30 DCEDMP C[NH+]=C(NCCn1cc(C)cn1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261995998 526367710 /nfs/dbraw/zinc/36/77/10/526367710.db2.gz SKZDERQQXQVDES-ZFWWWQNUSA-N 2 1 304.442 0.839 20 30 DCEDMP C[NH+]=C(NCc1nccn1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261651291 526391669 /nfs/dbraw/zinc/39/16/69/526391669.db2.gz FCVQFDFETSUJFY-AWEZNQCLSA-N 2 1 320.441 0.150 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000359262875 526417546 /nfs/dbraw/zinc/41/75/46/526417546.db2.gz HFVLEZDMALIOHX-AWEZNQCLSA-N 2 1 324.469 0.600 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1ccon1 ZINC000261836169 528811145 /nfs/dbraw/zinc/81/11/45/528811145.db2.gz WBJNKIQDJIHQTL-CQSZACIVSA-N 2 1 308.430 0.318 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC)c1 ZINC000264090625 529073088 /nfs/dbraw/zinc/07/30/88/529073088.db2.gz KVYOIJSOFJUNLJ-OAHLLOKOSA-N 2 1 317.437 0.935 20 30 DCEDMP COCC#CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000677479927 547880416 /nfs/dbraw/zinc/88/04/16/547880416.db2.gz RJBPRHDIDCHSKH-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001674499283 1175280314 /nfs/dbraw/zinc/28/03/14/1175280314.db2.gz GJCWTWGGYKIVNB-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001674499283 1175280317 /nfs/dbraw/zinc/28/03/17/1175280317.db2.gz GJCWTWGGYKIVNB-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001674499283 1175280322 /nfs/dbraw/zinc/28/03/22/1175280322.db2.gz GJCWTWGGYKIVNB-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001674499283 1175280324 /nfs/dbraw/zinc/28/03/24/1175280324.db2.gz GJCWTWGGYKIVNB-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027546960 660410984 /nfs/dbraw/zinc/41/09/84/660410984.db2.gz OWYPLCOSGFXMBK-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027546960 660410985 /nfs/dbraw/zinc/41/09/85/660410985.db2.gz OWYPLCOSGFXMBK-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546960 660410986 /nfs/dbraw/zinc/41/09/86/660410986.db2.gz OWYPLCOSGFXMBK-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546960 660410987 /nfs/dbraw/zinc/41/09/87/660410987.db2.gz OWYPLCOSGFXMBK-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](C)O)C2)CC1 ZINC000980479407 660947666 /nfs/dbraw/zinc/94/76/66/660947666.db2.gz VTGXJFCAXBFETH-GOEBONIOSA-N 2 1 307.438 0.245 20 30 DCEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645348 661188938 /nfs/dbraw/zinc/18/89/38/661188938.db2.gz ATVYAIKJXZGMSV-CKDBGZEDSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645348 661188939 /nfs/dbraw/zinc/18/89/39/661188939.db2.gz ATVYAIKJXZGMSV-CKDBGZEDSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645348 661188941 /nfs/dbraw/zinc/18/89/41/661188941.db2.gz ATVYAIKJXZGMSV-CKDBGZEDSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949244487 657489564 /nfs/dbraw/zinc/48/95/64/657489564.db2.gz KDOZRUYVMVSOSA-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153603 657507107 /nfs/dbraw/zinc/50/71/07/657507107.db2.gz LCMMKIFJSXZIIX-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153603 657507114 /nfs/dbraw/zinc/50/71/14/657507114.db2.gz LCMMKIFJSXZIIX-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153603 657507118 /nfs/dbraw/zinc/50/71/18/657507118.db2.gz LCMMKIFJSXZIIX-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153603 657507119 /nfs/dbraw/zinc/50/71/19/657507119.db2.gz LCMMKIFJSXZIIX-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001022221078 657567793 /nfs/dbraw/zinc/56/77/93/657567793.db2.gz WUPVFUYOWAZQID-TWMKSMIVSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001022221078 657567796 /nfs/dbraw/zinc/56/77/96/657567796.db2.gz WUPVFUYOWAZQID-TWMKSMIVSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCOC)C1 ZINC001023421592 657849473 /nfs/dbraw/zinc/84/94/73/657849473.db2.gz CWKJLONUJMNKGI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCOC)C1 ZINC001023421592 657849487 /nfs/dbraw/zinc/84/94/87/657849487.db2.gz CWKJLONUJMNKGI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCOC)C1 ZINC001023421592 657849498 /nfs/dbraw/zinc/84/94/98/657849498.db2.gz CWKJLONUJMNKGI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCOC)C1 ZINC001023421592 657849514 /nfs/dbraw/zinc/84/95/14/657849514.db2.gz CWKJLONUJMNKGI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001021469439 657854242 /nfs/dbraw/zinc/85/42/42/657854242.db2.gz CVCVNUFPXBKXJI-ALOPSCKCSA-N 2 1 319.449 0.436 20 30 DCEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638893 658140242 /nfs/dbraw/zinc/14/02/42/658140242.db2.gz OPSZIUYEHOQIKQ-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041841767 658392415 /nfs/dbraw/zinc/39/24/15/658392415.db2.gz UCWMZDUPPITFJL-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041841767 658392425 /nfs/dbraw/zinc/39/24/25/658392425.db2.gz UCWMZDUPPITFJL-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841767 658392437 /nfs/dbraw/zinc/39/24/37/658392437.db2.gz UCWMZDUPPITFJL-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841767 658392448 /nfs/dbraw/zinc/39/24/48/658392448.db2.gz UCWMZDUPPITFJL-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000939413456 665576885 /nfs/dbraw/zinc/57/68/85/665576885.db2.gz NFCSAYVPUJTMCU-CZUORRHYSA-N 2 1 309.373 0.951 20 30 DCEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295140 658533335 /nfs/dbraw/zinc/53/33/35/658533335.db2.gz QYTSNOQKSSPSEA-RDJZCZTQSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972295140 658533340 /nfs/dbraw/zinc/53/33/40/658533340.db2.gz QYTSNOQKSSPSEA-RDJZCZTQSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999350739 665634224 /nfs/dbraw/zinc/63/42/24/665634224.db2.gz ATWYBLJOXMIEOI-HUUCEWRRSA-N 2 1 303.410 0.027 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999728723 665677336 /nfs/dbraw/zinc/67/73/36/665677336.db2.gz SVSSYSLTERZQTG-CQSZACIVSA-N 2 1 300.406 0.976 20 30 DCEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027441831 659482457 /nfs/dbraw/zinc/48/24/57/659482457.db2.gz XBCXJEMQJLBBIK-CVEARBPZSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027441831 659482460 /nfs/dbraw/zinc/48/24/60/659482460.db2.gz XBCXJEMQJLBBIK-CVEARBPZSA-N 2 1 319.453 0.922 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025814062 659576022 /nfs/dbraw/zinc/57/60/22/659576022.db2.gz KVLDOSAXCKWPLY-NRKLIOEPSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025814062 659576024 /nfs/dbraw/zinc/57/60/24/659576024.db2.gz KVLDOSAXCKWPLY-NRKLIOEPSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]21 ZINC001025814062 659576026 /nfs/dbraw/zinc/57/60/26/659576026.db2.gz KVLDOSAXCKWPLY-NRKLIOEPSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]21 ZINC001025814062 659576028 /nfs/dbraw/zinc/57/60/28/659576028.db2.gz KVLDOSAXCKWPLY-NRKLIOEPSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498519 659627624 /nfs/dbraw/zinc/62/76/24/659627624.db2.gz HMHMFKAGGZHLFN-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001027498519 659627627 /nfs/dbraw/zinc/62/76/27/659627627.db2.gz HMHMFKAGGZHLFN-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001027498519 659627630 /nfs/dbraw/zinc/62/76/30/659627630.db2.gz HMHMFKAGGZHLFN-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000203479 665776743 /nfs/dbraw/zinc/77/67/43/665776743.db2.gz WXVSZOXZGKMHDA-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000712424 665920231 /nfs/dbraw/zinc/92/02/31/665920231.db2.gz BBBWUACCYUNPDM-CVEARBPZSA-N 2 1 305.422 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000712424 665920232 /nfs/dbraw/zinc/92/02/32/665920232.db2.gz BBBWUACCYUNPDM-CVEARBPZSA-N 2 1 305.422 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000712424 665920233 /nfs/dbraw/zinc/92/02/33/665920233.db2.gz BBBWUACCYUNPDM-CVEARBPZSA-N 2 1 305.422 0.784 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001032795369 665926995 /nfs/dbraw/zinc/92/69/95/665926995.db2.gz MHDOAIPUORPCKH-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001032795369 665926996 /nfs/dbraw/zinc/92/69/96/665926996.db2.gz MHDOAIPUORPCKH-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001032795369 665926998 /nfs/dbraw/zinc/92/69/98/665926998.db2.gz MHDOAIPUORPCKH-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001032795369 665927000 /nfs/dbraw/zinc/92/70/00/665927000.db2.gz MHDOAIPUORPCKH-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@@H](C)O)CC1 ZINC001000790150 665928549 /nfs/dbraw/zinc/92/85/49/665928549.db2.gz GBKCRRUJHDGPPL-ZBFHGGJFSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@@H](C)O)CC1 ZINC001000790150 665928551 /nfs/dbraw/zinc/92/85/51/665928551.db2.gz GBKCRRUJHDGPPL-ZBFHGGJFSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H](C)O)CC1 ZINC001000790150 665928552 /nfs/dbraw/zinc/92/85/52/665928552.db2.gz GBKCRRUJHDGPPL-ZBFHGGJFSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H](C)O)CC1 ZINC001000790150 665928555 /nfs/dbraw/zinc/92/85/55/665928555.db2.gz GBKCRRUJHDGPPL-ZBFHGGJFSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900797929 663281031 /nfs/dbraw/zinc/28/10/31/663281031.db2.gz JLOWMEKIWYBDLY-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=S)NCCCN2CCOCC2)C1 ZINC000905571804 663565163 /nfs/dbraw/zinc/56/51/63/663565163.db2.gz SNMFILRDIXNHQT-HNNXBMFYSA-N 2 1 324.494 0.270 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=S)NCCCN2CCOCC2)C1 ZINC000905571804 663565164 /nfs/dbraw/zinc/56/51/64/663565164.db2.gz SNMFILRDIXNHQT-HNNXBMFYSA-N 2 1 324.494 0.270 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941444220 665995961 /nfs/dbraw/zinc/99/59/61/665995961.db2.gz JWKOVBGIQLWMKB-KRWDZBQOSA-N 2 1 322.497 0.977 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000913519165 664337481 /nfs/dbraw/zinc/33/74/81/664337481.db2.gz QGUNDSRKDXHVFC-MRXNPFEDSA-N 2 1 300.406 0.727 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCOC)[C@H]2C)CC1 ZINC000994493564 665116319 /nfs/dbraw/zinc/11/63/19/665116319.db2.gz DTJKKORRUHDXMS-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001002138800 666138013 /nfs/dbraw/zinc/13/80/13/666138013.db2.gz OELFWENDQGXOLV-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002138800 666138014 /nfs/dbraw/zinc/13/80/14/666138014.db2.gz OELFWENDQGXOLV-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001003007312 666260381 /nfs/dbraw/zinc/26/03/81/666260381.db2.gz GFIBFAQBKWSLRJ-KRWDZBQOSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333732 666295933 /nfs/dbraw/zinc/29/59/33/666295933.db2.gz SNWUOOHPUPCLAL-HQVVEAJESA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995895018 666717355 /nfs/dbraw/zinc/71/73/55/666717355.db2.gz LNONQEAGAXILGD-CABCVRRESA-N 2 1 317.437 0.273 20 30 DCEDMP C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905447 666863966 /nfs/dbraw/zinc/86/39/66/666863966.db2.gz LEYADBDOYMSNDN-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905447 666863969 /nfs/dbraw/zinc/86/39/69/666863969.db2.gz LEYADBDOYMSNDN-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905447 666863972 /nfs/dbraw/zinc/86/39/72/666863972.db2.gz LEYADBDOYMSNDN-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905447 666863978 /nfs/dbraw/zinc/86/39/78/666863978.db2.gz LEYADBDOYMSNDN-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000996811770 666917584 /nfs/dbraw/zinc/91/75/84/666917584.db2.gz JBXURCVXUXVLHB-GULBITTBSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001005518469 666943273 /nfs/dbraw/zinc/94/32/73/666943273.db2.gz LLFYWGNDEIZYJC-HOCLYGCPSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001005518469 666943274 /nfs/dbraw/zinc/94/32/74/666943274.db2.gz LLFYWGNDEIZYJC-HOCLYGCPSA-N 2 1 307.438 0.388 20 30 DCEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274656 666972399 /nfs/dbraw/zinc/97/23/99/666972399.db2.gz UKQPPNOUYJWMCA-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274656 666972402 /nfs/dbraw/zinc/97/24/02/666972402.db2.gz UKQPPNOUYJWMCA-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034274656 666972404 /nfs/dbraw/zinc/97/24/04/666972404.db2.gz UKQPPNOUYJWMCA-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034274656 666972406 /nfs/dbraw/zinc/97/24/06/666972406.db2.gz UKQPPNOUYJWMCA-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000838623823 667701604 /nfs/dbraw/zinc/70/16/04/667701604.db2.gz PPAOCDXDWDFXER-UHFFFAOYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875621912 668352509 /nfs/dbraw/zinc/35/25/09/668352509.db2.gz CSMXVLIGYKZNAZ-AWEZNQCLSA-N 2 1 310.442 0.086 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875621912 668352513 /nfs/dbraw/zinc/35/25/13/668352513.db2.gz CSMXVLIGYKZNAZ-AWEZNQCLSA-N 2 1 310.442 0.086 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875621912 668352515 /nfs/dbraw/zinc/35/25/15/668352515.db2.gz CSMXVLIGYKZNAZ-AWEZNQCLSA-N 2 1 310.442 0.086 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926153187 668379991 /nfs/dbraw/zinc/37/99/91/668379991.db2.gz MROBEAYWCTYFLZ-PNBKFKSVSA-N 2 1 309.454 0.700 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036856468 670223643 /nfs/dbraw/zinc/22/36/43/670223643.db2.gz RVDWZHYGIYHCFY-NVXWUHKLSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526501 670362408 /nfs/dbraw/zinc/36/24/08/670362408.db2.gz XMGYTQWLZPDIOM-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526501 670362413 /nfs/dbraw/zinc/36/24/13/670362413.db2.gz XMGYTQWLZPDIOM-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526501 670362414 /nfs/dbraw/zinc/36/24/14/670362414.db2.gz XMGYTQWLZPDIOM-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949526501 670362420 /nfs/dbraw/zinc/36/24/20/670362420.db2.gz XMGYTQWLZPDIOM-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000849105132 670757907 /nfs/dbraw/zinc/75/79/07/670757907.db2.gz CVUANYQMGZPGJO-INIZCTEOSA-N 2 1 323.485 0.501 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856429769 670819108 /nfs/dbraw/zinc/81/91/08/670819108.db2.gz MIIHWMUJLJVYLU-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856429769 670819114 /nfs/dbraw/zinc/81/91/14/670819114.db2.gz MIIHWMUJLJVYLU-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)NC)cc1 ZINC000303882680 685207917 /nfs/dbraw/zinc/20/79/17/685207917.db2.gz IHDNDNNPWKVTMU-HNNXBMFYSA-N 2 1 317.437 0.935 20 30 DCEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303883921 685207987 /nfs/dbraw/zinc/20/79/87/685207987.db2.gz IWSWNIVVFXAHRE-HNNXBMFYSA-N 2 1 311.474 0.345 20 30 DCEDMP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303883921 685207989 /nfs/dbraw/zinc/20/79/89/685207989.db2.gz IWSWNIVVFXAHRE-HNNXBMFYSA-N 3 1 311.474 0.345 20 30 DCEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303883921 685207993 /nfs/dbraw/zinc/20/79/93/685207993.db2.gz IWSWNIVVFXAHRE-HNNXBMFYSA-N 3 1 311.474 0.345 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000304760491 685211671 /nfs/dbraw/zinc/21/16/71/685211671.db2.gz SLYBHDBQQWQNFZ-OAHLLOKOSA-N 2 1 311.474 0.487 20 30 DCEDMP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304760491 685211677 /nfs/dbraw/zinc/21/16/77/685211677.db2.gz SLYBHDBQQWQNFZ-OAHLLOKOSA-N 3 1 311.474 0.487 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304760491 685211682 /nfs/dbraw/zinc/21/16/82/685211682.db2.gz SLYBHDBQQWQNFZ-OAHLLOKOSA-N 3 1 311.474 0.487 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958171747 687403303 /nfs/dbraw/zinc/40/33/03/687403303.db2.gz LERXYJFRGLJBBL-HUUCEWRRSA-N 2 1 307.438 0.457 20 30 DCEDMP C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590675 687778476 /nfs/dbraw/zinc/77/84/76/687778476.db2.gz BVKIEXMSDLKQCY-OLZOCXBDSA-N 2 1 313.829 0.244 20 30 DCEDMP C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590675 687778480 /nfs/dbraw/zinc/77/84/80/687778480.db2.gz BVKIEXMSDLKQCY-OLZOCXBDSA-N 2 1 313.829 0.244 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958600354 687786876 /nfs/dbraw/zinc/78/68/76/687786876.db2.gz ZLQZKRZZOXSXFX-BBRMVZONSA-N 2 1 316.405 0.193 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC000960345560 688354793 /nfs/dbraw/zinc/35/47/93/688354793.db2.gz KELWVQDJMZCLSS-VVLHAWIVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC000960345560 688354797 /nfs/dbraw/zinc/35/47/97/688354797.db2.gz KELWVQDJMZCLSS-VVLHAWIVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC000960345560 688354800 /nfs/dbraw/zinc/35/48/00/688354800.db2.gz KELWVQDJMZCLSS-VVLHAWIVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC000960345560 688354806 /nfs/dbraw/zinc/35/48/06/688354806.db2.gz KELWVQDJMZCLSS-VVLHAWIVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961763491 688725716 /nfs/dbraw/zinc/72/57/16/688725716.db2.gz LLMVJACUMVUPSY-XJIUQZFPSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961763491 688725717 /nfs/dbraw/zinc/72/57/17/688725717.db2.gz LLMVJACUMVUPSY-XJIUQZFPSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961763491 688725719 /nfs/dbraw/zinc/72/57/19/688725719.db2.gz LLMVJACUMVUPSY-XJIUQZFPSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000968952590 690433688 /nfs/dbraw/zinc/43/36/88/690433688.db2.gz OHJTWQOWHADEKU-ZBFHGGJFSA-N 2 1 315.421 0.208 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000968952590 690433691 /nfs/dbraw/zinc/43/36/91/690433691.db2.gz OHJTWQOWHADEKU-ZBFHGGJFSA-N 2 1 315.421 0.208 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457372 692023775 /nfs/dbraw/zinc/02/37/75/692023775.db2.gz GXTPOMLRQPCXRP-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457372 692023782 /nfs/dbraw/zinc/02/37/82/692023782.db2.gz GXTPOMLRQPCXRP-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015324183 692264773 /nfs/dbraw/zinc/26/47/73/692264773.db2.gz MQDVYNYCWACMQN-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015324183 692264777 /nfs/dbraw/zinc/26/47/77/692264777.db2.gz MQDVYNYCWACMQN-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015324183 692264778 /nfs/dbraw/zinc/26/47/78/692264778.db2.gz MQDVYNYCWACMQN-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015827041 692458114 /nfs/dbraw/zinc/45/81/14/692458114.db2.gz MANFJGNMWTZTTR-HNNXBMFYSA-N 2 1 305.426 0.825 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001019241524 693404622 /nfs/dbraw/zinc/40/46/22/693404622.db2.gz FGVKZOBQKFJXMY-SOUVJXGZSA-N 2 1 320.437 0.058 20 30 DCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813005 694669162 /nfs/dbraw/zinc/66/91/62/694669162.db2.gz BDQSJUQOQXIOHB-OAHLLOKOSA-N 2 1 317.437 0.534 20 30 DCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813005 694669163 /nfs/dbraw/zinc/66/91/63/694669163.db2.gz BDQSJUQOQXIOHB-OAHLLOKOSA-N 2 1 317.437 0.534 20 30 DCEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059709 694699823 /nfs/dbraw/zinc/69/98/23/694699823.db2.gz RADBOMVSSRUAES-UHFFFAOYSA-N 2 1 307.438 0.819 20 30 DCEDMP C=CCC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059709 694699824 /nfs/dbraw/zinc/69/98/24/694699824.db2.gz RADBOMVSSRUAES-UHFFFAOYSA-N 2 1 307.438 0.819 20 30 DCEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073564499 694743667 /nfs/dbraw/zinc/74/36/67/694743667.db2.gz ZXXKFQFKZZHPKF-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073564499 694743668 /nfs/dbraw/zinc/74/36/68/694743668.db2.gz ZXXKFQFKZZHPKF-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564499 694743670 /nfs/dbraw/zinc/74/36/70/694743670.db2.gz ZXXKFQFKZZHPKF-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564499 694743671 /nfs/dbraw/zinc/74/36/71/694743671.db2.gz ZXXKFQFKZZHPKF-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605152 694750142 /nfs/dbraw/zinc/75/01/42/694750142.db2.gz BTMHCLUEBSHHLT-IAGOWNOFSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074385637 694883067 /nfs/dbraw/zinc/88/30/67/694883067.db2.gz VNHYEYYVKQJYQS-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074385637 694883070 /nfs/dbraw/zinc/88/30/70/694883070.db2.gz VNHYEYYVKQJYQS-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001571448669 1162763460 /nfs/dbraw/zinc/76/34/60/1162763460.db2.gz ZRJAUMDTVDNXMN-HZPDHXFCSA-N 2 1 305.422 0.932 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001571605174 1162855154 /nfs/dbraw/zinc/85/51/54/1162855154.db2.gz NPFFWPOUMCPMEZ-GDBMZVCRSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001571605174 1162855161 /nfs/dbraw/zinc/85/51/61/1162855161.db2.gz NPFFWPOUMCPMEZ-GDBMZVCRSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001571608461 1162859519 /nfs/dbraw/zinc/85/95/19/1162859519.db2.gz HUCZDDXUNWIJFB-KRWDZBQOSA-N 2 1 319.449 0.106 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001691123075 1157589065 /nfs/dbraw/zinc/58/90/65/1157589065.db2.gz AGHCWNKTDIMYOX-SOUVJXGZSA-N 2 1 322.453 0.115 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754769703 1157857701 /nfs/dbraw/zinc/85/77/01/1157857701.db2.gz JKODNLFBFKOYNT-UHFFFAOYSA-N 2 1 321.465 0.992 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001755458406 1158143956 /nfs/dbraw/zinc/14/39/56/1158143956.db2.gz DJAZBZSVXKRJPG-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566466284 1159993947 /nfs/dbraw/zinc/99/39/47/1159993947.db2.gz VFHVJINZBMTGRT-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001566466284 1159993951 /nfs/dbraw/zinc/99/39/51/1159993951.db2.gz VFHVJINZBMTGRT-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001566466284 1159993955 /nfs/dbraw/zinc/99/39/55/1159993955.db2.gz VFHVJINZBMTGRT-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001567384807 1160339540 /nfs/dbraw/zinc/33/95/40/1160339540.db2.gz ZJZXCNCJOMQIBP-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001567384807 1160339548 /nfs/dbraw/zinc/33/95/48/1160339548.db2.gz ZJZXCNCJOMQIBP-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001567384807 1160339552 /nfs/dbraw/zinc/33/95/52/1160339552.db2.gz ZJZXCNCJOMQIBP-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001567384807 1160339558 /nfs/dbraw/zinc/33/95/58/1160339558.db2.gz ZJZXCNCJOMQIBP-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@H]1CCOC1 ZINC001567510483 1160402206 /nfs/dbraw/zinc/40/22/06/1160402206.db2.gz BJECNOXPNWHSJE-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@H]1CCOC1 ZINC001567510483 1160402210 /nfs/dbraw/zinc/40/22/10/1160402210.db2.gz BJECNOXPNWHSJE-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001567895758 1160521017 /nfs/dbraw/zinc/52/10/17/1160521017.db2.gz MPQOXZPFUYSQIT-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001567895758 1160521022 /nfs/dbraw/zinc/52/10/22/1160521022.db2.gz MPQOXZPFUYSQIT-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001569316940 1161011765 /nfs/dbraw/zinc/01/17/65/1161011765.db2.gz OWUKTNNCSRKETM-HOCLYGCPSA-N 2 1 300.406 0.872 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001569646752 1161180235 /nfs/dbraw/zinc/18/02/35/1161180235.db2.gz REIVLCQSQBQWIS-MRXNPFEDSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001569646752 1161180239 /nfs/dbraw/zinc/18/02/39/1161180239.db2.gz REIVLCQSQBQWIS-MRXNPFEDSA-N 2 1 310.442 0.211 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001569765727 1161235349 /nfs/dbraw/zinc/23/53/49/1161235349.db2.gz QKMJCTNYWXCLAB-QGZVFWFLSA-N 2 1 307.438 0.439 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001569851226 1161285007 /nfs/dbraw/zinc/28/50/07/1161285007.db2.gz RUVMQQRGRPAGLI-HOTGVXAUSA-N 2 1 309.454 0.662 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001570274655 1161532829 /nfs/dbraw/zinc/53/28/29/1161532829.db2.gz IOOGLFDCHMTIBF-GOSISDBHSA-N 2 1 321.465 0.902 20 30 DCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H](O)C[NH3+])CC2)cc1 ZINC001580066738 1165490343 /nfs/dbraw/zinc/49/03/43/1165490343.db2.gz RZZSJEFHPUKCEE-INIZCTEOSA-N 2 1 316.405 0.302 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001633457262 1171643405 /nfs/dbraw/zinc/64/34/05/1171643405.db2.gz CMCGKIWNVHTNBX-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001633457262 1171643407 /nfs/dbraw/zinc/64/34/07/1171643407.db2.gz CMCGKIWNVHTNBX-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)CC1 ZINC001637487532 1171768957 /nfs/dbraw/zinc/76/89/57/1171768957.db2.gz MCUSNWSRSJDKHZ-UHFFFAOYSA-N 2 1 318.465 0.037 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001656784209 1173885494 /nfs/dbraw/zinc/88/54/94/1173885494.db2.gz MPBPQZYQBAXYTD-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001661038373 1174091886 /nfs/dbraw/zinc/09/18/86/1174091886.db2.gz JIDRXLJYVGSGFM-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001661038373 1174091892 /nfs/dbraw/zinc/09/18/92/1174091892.db2.gz JIDRXLJYVGSGFM-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001661038373 1174091898 /nfs/dbraw/zinc/09/18/98/1174091898.db2.gz JIDRXLJYVGSGFM-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001661038373 1174091905 /nfs/dbraw/zinc/09/19/05/1174091905.db2.gz JIDRXLJYVGSGFM-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCOCC=C)C1 ZINC001662646411 1174227275 /nfs/dbraw/zinc/22/72/75/1174227275.db2.gz QOJKKFWYTXKGLD-IRXDYDNUSA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCOCC=C)C1 ZINC001662646411 1174227282 /nfs/dbraw/zinc/22/72/82/1174227282.db2.gz QOJKKFWYTXKGLD-IRXDYDNUSA-N 2 1 319.449 0.725 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001662696133 1174233358 /nfs/dbraw/zinc/23/33/58/1174233358.db2.gz RANGIARIFOSCIX-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001663599514 1174328754 /nfs/dbraw/zinc/32/87/54/1174328754.db2.gz WSXQFOZRHXFFKH-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[N@@H+](CCC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001663689130 1174342742 /nfs/dbraw/zinc/34/27/42/1174342742.db2.gz ZCGKDLFBMDISGG-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001665671328 1174548254 /nfs/dbraw/zinc/54/82/54/1174548254.db2.gz ZWVKPSQPGNVDBI-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001665671328 1174548257 /nfs/dbraw/zinc/54/82/57/1174548257.db2.gz ZWVKPSQPGNVDBI-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)[NH2+]CC#CCOC ZINC001665892858 1174572156 /nfs/dbraw/zinc/57/21/56/1174572156.db2.gz IHJPEJMXRBBADN-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001666323653 1174598151 /nfs/dbraw/zinc/59/81/51/1174598151.db2.gz XBOFESXXQUBPLA-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001666323653 1174598157 /nfs/dbraw/zinc/59/81/57/1174598157.db2.gz XBOFESXXQUBPLA-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001669974421 1174966906 /nfs/dbraw/zinc/96/69/06/1174966906.db2.gz VCTRENWRGVWAQH-IAGOWNOFSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001672467690 1175110502 /nfs/dbraw/zinc/11/05/02/1175110502.db2.gz BZZKGFRQYMIWQA-HNNXBMFYSA-N 2 1 308.470 0.684 20 30 DCEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001673294288 1175187734 /nfs/dbraw/zinc/18/77/34/1175187734.db2.gz YVAPDMJNHWFDAW-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001677173691 1175542753 /nfs/dbraw/zinc/54/27/53/1175542753.db2.gz AVDKQICQQOZMGA-INIZCTEOSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001677439204 1175564294 /nfs/dbraw/zinc/56/42/94/1175564294.db2.gz OXAXABJTQJZHSK-NFOMZHRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001688950412 1176662833 /nfs/dbraw/zinc/66/28/33/1176662833.db2.gz ICGVVKLGLABSKL-KBUPBQIOSA-N 2 1 322.453 0.113 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001689793474 1177043852 /nfs/dbraw/zinc/04/38/52/1177043852.db2.gz MAUJTSTVBGJQIN-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001689793474 1177043860 /nfs/dbraw/zinc/04/38/60/1177043860.db2.gz MAUJTSTVBGJQIN-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001689793474 1177043869 /nfs/dbraw/zinc/04/38/69/1177043869.db2.gz MAUJTSTVBGJQIN-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690046884 1177151389 /nfs/dbraw/zinc/15/13/89/1177151389.db2.gz RSNHNHBMANQGIB-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690046884 1177151392 /nfs/dbraw/zinc/15/13/92/1177151392.db2.gz RSNHNHBMANQGIB-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690092086 1177169371 /nfs/dbraw/zinc/16/93/71/1177169371.db2.gz VMHNATLNNVIUBB-HOTGVXAUSA-N 2 1 307.438 0.721 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001690487581 1177252901 /nfs/dbraw/zinc/25/29/01/1177252901.db2.gz YOWMIPUFVBLZFC-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001690628453 1177286853 /nfs/dbraw/zinc/28/68/53/1177286853.db2.gz NBWPBLJADJNLSQ-JKSUJKDBSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001691937296 1177386000 /nfs/dbraw/zinc/38/60/00/1177386000.db2.gz LNJFIOKYJUOMJB-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001691937296 1177386005 /nfs/dbraw/zinc/38/60/05/1177386005.db2.gz LNJFIOKYJUOMJB-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#CCOC ZINC001699033844 1177780830 /nfs/dbraw/zinc/78/08/30/1177780830.db2.gz GMWQYXRTLFOVPR-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699442013 1178139659 /nfs/dbraw/zinc/13/96/59/1178139659.db2.gz NQWJMEDWCMNBLD-ZBFHGGJFSA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001699901112 1178354851 /nfs/dbraw/zinc/35/48/51/1178354851.db2.gz LKGXEMNMKUTWHJ-DOTOQJQBSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001700083414 1178472352 /nfs/dbraw/zinc/47/23/52/1178472352.db2.gz SDAVMQABWQWNNW-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001700381049 1178602902 /nfs/dbraw/zinc/60/29/02/1178602902.db2.gz LZLSPRSEARLGRP-FHERZECASA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001700436171 1178615886 /nfs/dbraw/zinc/61/58/86/1178615886.db2.gz RLZSXEWJLVHDMU-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001700436171 1178615888 /nfs/dbraw/zinc/61/58/88/1178615888.db2.gz RLZSXEWJLVHDMU-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700706405 1178717409 /nfs/dbraw/zinc/71/74/09/1178717409.db2.gz SGKVDJGMCMWJHL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001713936527 1181160110 /nfs/dbraw/zinc/16/01/10/1181160110.db2.gz PVNVJJZKNRSFKS-JSGCOSHPSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001714022625 1181207352 /nfs/dbraw/zinc/20/73/52/1181207352.db2.gz VVKDWIHLUMCELV-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001714022625 1181207362 /nfs/dbraw/zinc/20/73/62/1181207362.db2.gz VVKDWIHLUMCELV-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001714022625 1181207375 /nfs/dbraw/zinc/20/73/75/1181207375.db2.gz VVKDWIHLUMCELV-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001714022625 1181207381 /nfs/dbraw/zinc/20/73/81/1181207381.db2.gz VVKDWIHLUMCELV-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001714890831 1181590150 /nfs/dbraw/zinc/59/01/50/1181590150.db2.gz KNYJJEUUKANKOL-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001714890831 1181590153 /nfs/dbraw/zinc/59/01/53/1181590153.db2.gz KNYJJEUUKANKOL-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001714890831 1181590155 /nfs/dbraw/zinc/59/01/55/1181590155.db2.gz KNYJJEUUKANKOL-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001714890831 1181590158 /nfs/dbraw/zinc/59/01/58/1181590158.db2.gz KNYJJEUUKANKOL-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001716098650 1182189284 /nfs/dbraw/zinc/18/92/84/1182189284.db2.gz HVDDMYHCPUOVHM-UKRRQHHQSA-N 2 1 306.410 0.397 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cncs1 ZINC001716398659 1182374908 /nfs/dbraw/zinc/37/49/08/1182374908.db2.gz DUECKHHPVSNBJL-OCCSQVGLSA-N 2 1 306.435 0.835 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cncs1 ZINC001716398659 1182374916 /nfs/dbraw/zinc/37/49/16/1182374916.db2.gz DUECKHHPVSNBJL-OCCSQVGLSA-N 2 1 306.435 0.835 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001716506277 1182419015 /nfs/dbraw/zinc/41/90/15/1182419015.db2.gz YWVKLTUBCCMDGB-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001716549102 1182437307 /nfs/dbraw/zinc/43/73/07/1182437307.db2.gz OEKTZSHRRDCNOW-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001716971995 1182607048 /nfs/dbraw/zinc/60/70/48/1182607048.db2.gz UZSGJAZGPSSERQ-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001717564586 1182902443 /nfs/dbraw/zinc/90/24/43/1182902443.db2.gz JGKNSHXACJVJRW-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001717564586 1182902446 /nfs/dbraw/zinc/90/24/46/1182902446.db2.gz JGKNSHXACJVJRW-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001717587987 1182912646 /nfs/dbraw/zinc/91/26/46/1182912646.db2.gz QJASOHCMSATBCG-ZIAGYGMSSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001717587987 1182912652 /nfs/dbraw/zinc/91/26/52/1182912652.db2.gz QJASOHCMSATBCG-ZIAGYGMSSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717587987 1182912656 /nfs/dbraw/zinc/91/26/56/1182912656.db2.gz QJASOHCMSATBCG-ZIAGYGMSSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717587987 1182912658 /nfs/dbraw/zinc/91/26/58/1182912658.db2.gz QJASOHCMSATBCG-ZIAGYGMSSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001717902635 1183049460 /nfs/dbraw/zinc/04/94/60/1183049460.db2.gz BRUDBEHWPWRFSI-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001723996884 1184366647 /nfs/dbraw/zinc/36/66/47/1184366647.db2.gz BGZLYWQGCHFSNA-AWEZNQCLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001723996884 1184366655 /nfs/dbraw/zinc/36/66/55/1184366655.db2.gz BGZLYWQGCHFSNA-AWEZNQCLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001724400795 1184430137 /nfs/dbraw/zinc/43/01/37/1184430137.db2.gz FHILFPRCHYGBFK-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001724400795 1184430143 /nfs/dbraw/zinc/43/01/43/1184430143.db2.gz FHILFPRCHYGBFK-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001724400795 1184430150 /nfs/dbraw/zinc/43/01/50/1184430150.db2.gz FHILFPRCHYGBFK-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001724428003 1184439492 /nfs/dbraw/zinc/43/94/92/1184439492.db2.gz SBXUMIQPSXXFHX-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001724628061 1184480339 /nfs/dbraw/zinc/48/03/39/1184480339.db2.gz ZSIOZRXSWZAZFL-YESZJQIVSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001724628061 1184480342 /nfs/dbraw/zinc/48/03/42/1184480342.db2.gz ZSIOZRXSWZAZFL-YESZJQIVSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001724628061 1184480346 /nfs/dbraw/zinc/48/03/46/1184480346.db2.gz ZSIOZRXSWZAZFL-YESZJQIVSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001724842844 1184588276 /nfs/dbraw/zinc/58/82/76/1184588276.db2.gz JITIJFRUQJGKEA-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001724842844 1184588283 /nfs/dbraw/zinc/58/82/83/1184588283.db2.gz JITIJFRUQJGKEA-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724842844 1184588289 /nfs/dbraw/zinc/58/82/89/1184588289.db2.gz JITIJFRUQJGKEA-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001724862086 1184594249 /nfs/dbraw/zinc/59/42/49/1184594249.db2.gz YYKLHOQHFZAGTI-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001724909686 1184615029 /nfs/dbraw/zinc/61/50/29/1184615029.db2.gz FEHICDFLHADQEM-QGZVFWFLSA-N 2 1 318.421 0.548 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC)C(C)(C)C1 ZINC001725663280 1184932074 /nfs/dbraw/zinc/93/20/74/1184932074.db2.gz KIYOHFOKHJIYMQ-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC)C(C)(C)C1 ZINC001725663280 1184932077 /nfs/dbraw/zinc/93/20/77/1184932077.db2.gz KIYOHFOKHJIYMQ-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001725715962 1184964664 /nfs/dbraw/zinc/96/46/64/1184964664.db2.gz WBVQVJYMOLTTBQ-CABCVRRESA-N 2 1 320.437 0.781 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001725715962 1184964670 /nfs/dbraw/zinc/96/46/70/1184964670.db2.gz WBVQVJYMOLTTBQ-CABCVRRESA-N 2 1 320.437 0.781 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(C)C)CC1 ZINC001725726051 1184976510 /nfs/dbraw/zinc/97/65/10/1184976510.db2.gz YRJHMBFAZBGIDR-KRWDZBQOSA-N 2 1 323.481 0.739 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001731350966 1185284499 /nfs/dbraw/zinc/28/44/99/1185284499.db2.gz QCRGJMRKNUASMW-UHFFFAOYSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001731366367 1185299986 /nfs/dbraw/zinc/29/99/86/1185299986.db2.gz ZGLKGPOIOSCSSR-MRXNPFEDSA-N 2 1 308.470 0.781 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731441439 1185333918 /nfs/dbraw/zinc/33/39/18/1185333918.db2.gz GDMQGNFZTGPQPU-SYQHCUMBSA-N 2 1 308.426 0.008 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001731446758 1185337121 /nfs/dbraw/zinc/33/71/21/1185337121.db2.gz HUWOYUPCXSAXNY-ULQDDVLXSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001731596938 1185405378 /nfs/dbraw/zinc/40/53/78/1185405378.db2.gz AJGNMBCBGTYLTA-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001731596938 1185405384 /nfs/dbraw/zinc/40/53/84/1185405384.db2.gz AJGNMBCBGTYLTA-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001731700194 1185448188 /nfs/dbraw/zinc/44/81/88/1185448188.db2.gz QICXEQVPZREEKC-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC#CCOC)C1 ZINC001731782206 1185484480 /nfs/dbraw/zinc/48/44/80/1185484480.db2.gz GRNWTYPQGLGRNC-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)CC#CCOC)C1 ZINC001731782206 1185484484 /nfs/dbraw/zinc/48/44/84/1185484484.db2.gz GRNWTYPQGLGRNC-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)CC#CCOC)C1 ZINC001731782206 1185484489 /nfs/dbraw/zinc/48/44/89/1185484489.db2.gz GRNWTYPQGLGRNC-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001731860089 1185537094 /nfs/dbraw/zinc/53/70/94/1185537094.db2.gz IEFRHCBABBWBNX-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCO1 ZINC001732998563 1186097235 /nfs/dbraw/zinc/09/72/35/1186097235.db2.gz IZFRMHDZNYVAFX-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCO1 ZINC001732998563 1186097239 /nfs/dbraw/zinc/09/72/39/1186097239.db2.gz IZFRMHDZNYVAFX-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001733172575 1186169277 /nfs/dbraw/zinc/16/92/77/1186169277.db2.gz HCVUWKZMUMIJTI-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001733493271 1186301787 /nfs/dbraw/zinc/30/17/87/1186301787.db2.gz RCACRFOUYFINBR-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001733493271 1186301793 /nfs/dbraw/zinc/30/17/93/1186301793.db2.gz RCACRFOUYFINBR-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001733493271 1186301796 /nfs/dbraw/zinc/30/17/96/1186301796.db2.gz RCACRFOUYFINBR-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001752286993 1188411668 /nfs/dbraw/zinc/41/16/68/1188411668.db2.gz KSRLTAKFYAISLR-UHFFFAOYSA-N 2 1 319.449 0.703 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001752775355 1188438787 /nfs/dbraw/zinc/43/87/87/1188438787.db2.gz HXQISOZUUJVHQP-OWCLPIDISA-N 2 1 307.438 0.747 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001753344315 1188569824 /nfs/dbraw/zinc/56/98/24/1188569824.db2.gz ZPWXFBYDDUAOIJ-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001753411823 1188586560 /nfs/dbraw/zinc/58/65/60/1188586560.db2.gz ZISUKVCQAJQLQE-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001753458260 1188602648 /nfs/dbraw/zinc/60/26/48/1188602648.db2.gz CMPYGCXTRLXTPD-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001753458260 1188602651 /nfs/dbraw/zinc/60/26/51/1188602651.db2.gz CMPYGCXTRLXTPD-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001753458260 1188602652 /nfs/dbraw/zinc/60/26/52/1188602652.db2.gz CMPYGCXTRLXTPD-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[N@H+]1CC[C@H](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001753458260 1188602655 /nfs/dbraw/zinc/60/26/55/1188602655.db2.gz CMPYGCXTRLXTPD-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001753902884 1188675556 /nfs/dbraw/zinc/67/55/56/1188675556.db2.gz TYAUXSWCQBCBEN-JKSUJKDBSA-N 2 1 318.421 0.716 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001754283778 1188809633 /nfs/dbraw/zinc/80/96/33/1188809633.db2.gz KWZOACXBQZMZGB-ZFWWWQNUSA-N 2 1 318.421 0.498 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001754296371 1188812620 /nfs/dbraw/zinc/81/26/20/1188812620.db2.gz JNNNSINVCVLGIR-UONOGXRCSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001754758762 1188925345 /nfs/dbraw/zinc/92/53/45/1188925345.db2.gz DSJPVBBFOOOAPE-YOEHRIQHSA-N 2 1 320.437 0.870 20 30 DCEDMP C=C(C)CCN1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001754766987 1188929678 /nfs/dbraw/zinc/92/96/78/1188929678.db2.gz IFGLZMFZFWXDKO-HNNXBMFYSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001754766987 1188929684 /nfs/dbraw/zinc/92/96/84/1188929684.db2.gz IFGLZMFZFWXDKO-HNNXBMFYSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001754770065 1188931282 /nfs/dbraw/zinc/93/12/82/1188931282.db2.gz WGQZZZKMMCSVCI-LSDHHAIUSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001754770065 1188931284 /nfs/dbraw/zinc/93/12/84/1188931284.db2.gz WGQZZZKMMCSVCI-LSDHHAIUSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001755312626 1189077342 /nfs/dbraw/zinc/07/73/42/1189077342.db2.gz DMEZFFCIRKYZKV-KGLIPLIRSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001755312626 1189077345 /nfs/dbraw/zinc/07/73/45/1189077345.db2.gz DMEZFFCIRKYZKV-KGLIPLIRSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001755721580 1189193231 /nfs/dbraw/zinc/19/32/31/1189193231.db2.gz LFINHSHBDZFCKN-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001755721580 1189193233 /nfs/dbraw/zinc/19/32/33/1189193233.db2.gz LFINHSHBDZFCKN-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009021 751746982 /nfs/dbraw/zinc/74/69/82/751746982.db2.gz HZRHBTAFRGPZBX-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009021 751746984 /nfs/dbraw/zinc/74/69/84/751746984.db2.gz HZRHBTAFRGPZBX-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC)C1 ZINC001104306195 747171812 /nfs/dbraw/zinc/17/18/12/747171812.db2.gz PZFRQQDITUIWOB-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC)C1 ZINC001104306195 747171815 /nfs/dbraw/zinc/17/18/15/747171815.db2.gz PZFRQQDITUIWOB-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001098570848 747435447 /nfs/dbraw/zinc/43/54/47/747435447.db2.gz IOWHIBARARYMCY-IYBDPMFKSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001098570848 747435448 /nfs/dbraw/zinc/43/54/48/747435448.db2.gz IOWHIBARARYMCY-IYBDPMFKSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001098570848 747435451 /nfs/dbraw/zinc/43/54/51/747435451.db2.gz IOWHIBARARYMCY-IYBDPMFKSA-N 2 1 321.465 0.778 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043392630 752214603 /nfs/dbraw/zinc/21/46/03/752214603.db2.gz UXDLVJQCHATIAZ-HQVVEAJESA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392630 752214608 /nfs/dbraw/zinc/21/46/08/752214608.db2.gz UXDLVJQCHATIAZ-HQVVEAJESA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001077670609 752264337 /nfs/dbraw/zinc/26/43/37/752264337.db2.gz AYNBEHLPFKNSJS-BPLDGKMQSA-N 2 1 304.394 0.101 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360629 748481475 /nfs/dbraw/zinc/48/14/75/748481475.db2.gz CXIKUKLFXNINEG-UHFFFAOYSA-N 2 1 316.409 0.033 20 30 DCEDMP C=C(C)C(=O)OCCNc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001157305120 761949821 /nfs/dbraw/zinc/94/98/21/761949821.db2.gz VKMJZYXWZUNIQB-UHFFFAOYSA-N 2 1 305.382 0.935 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757121 749978227 /nfs/dbraw/zinc/97/82/27/749978227.db2.gz JUVWEDRODHILCH-GQGDVANPSA-N 2 1 305.422 0.615 20 30 DCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757121 749978229 /nfs/dbraw/zinc/97/82/29/749978229.db2.gz JUVWEDRODHILCH-GQGDVANPSA-N 2 1 305.422 0.615 20 30 DCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757121 749978232 /nfs/dbraw/zinc/97/82/32/749978232.db2.gz JUVWEDRODHILCH-GQGDVANPSA-N 2 1 305.422 0.615 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522176 750090926 /nfs/dbraw/zinc/09/09/26/750090926.db2.gz WMJJZARKICNVHH-XHSDSOJGSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522176 750090928 /nfs/dbraw/zinc/09/09/28/750090928.db2.gz WMJJZARKICNVHH-XHSDSOJGSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522176 750090931 /nfs/dbraw/zinc/09/09/31/750090931.db2.gz WMJJZARKICNVHH-XHSDSOJGSA-N 2 1 307.438 0.149 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766722 751270957 /nfs/dbraw/zinc/27/09/57/751270957.db2.gz QVOCORDOLPKCQA-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107952613 752593876 /nfs/dbraw/zinc/59/38/76/752593876.db2.gz IMTPWMYUAVEZDF-BFYDXBDKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107952613 752593882 /nfs/dbraw/zinc/59/38/82/752593882.db2.gz IMTPWMYUAVEZDF-BFYDXBDKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952613 752593884 /nfs/dbraw/zinc/59/38/84/752593884.db2.gz IMTPWMYUAVEZDF-BFYDXBDKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952613 752593889 /nfs/dbraw/zinc/59/38/89/752593889.db2.gz IMTPWMYUAVEZDF-BFYDXBDKSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077975325 752933951 /nfs/dbraw/zinc/93/39/51/752933951.db2.gz KKYPUEAMYFWANT-IAGOWNOFSA-N 2 1 321.465 0.846 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@H]2O)CC1 ZINC001078226946 753122142 /nfs/dbraw/zinc/12/21/42/753122142.db2.gz AVEWTKVILUUUJS-HZPDHXFCSA-N 2 1 305.422 0.069 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@H]2O)CC1 ZINC001078227198 753122559 /nfs/dbraw/zinc/12/25/59/753122559.db2.gz NSIVUWQAHYVIQZ-HZPDHXFCSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001078413434 753231364 /nfs/dbraw/zinc/23/13/64/753231364.db2.gz SXNYAQYWBQJZEJ-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001078413434 753231367 /nfs/dbraw/zinc/23/13/67/753231367.db2.gz SXNYAQYWBQJZEJ-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043523 753445773 /nfs/dbraw/zinc/44/57/73/753445773.db2.gz HJZSFYZBLCWYFD-INIZCTEOSA-N 2 1 315.421 0.043 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043523 753445778 /nfs/dbraw/zinc/44/57/78/753445778.db2.gz HJZSFYZBLCWYFD-INIZCTEOSA-N 2 1 315.421 0.043 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046077725 753469049 /nfs/dbraw/zinc/46/90/49/753469049.db2.gz YDADATYTVRNNMY-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077725 753469053 /nfs/dbraw/zinc/46/90/53/753469053.db2.gz YDADATYTVRNNMY-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077725 753469056 /nfs/dbraw/zinc/46/90/56/753469056.db2.gz YDADATYTVRNNMY-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046325939 753646502 /nfs/dbraw/zinc/64/65/02/753646502.db2.gz FFIMERIJAAUKJY-KRWDZBQOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326996 753646532 /nfs/dbraw/zinc/64/65/32/753646532.db2.gz ZFKGBFKLBIHJKD-INIZCTEOSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326996 753646539 /nfs/dbraw/zinc/64/65/39/753646539.db2.gz ZFKGBFKLBIHJKD-INIZCTEOSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501293 753752618 /nfs/dbraw/zinc/75/26/18/753752618.db2.gz MZKHXHWMCHEGET-OGOZQZCJSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501293 753752622 /nfs/dbraw/zinc/75/26/22/753752622.db2.gz MZKHXHWMCHEGET-OGOZQZCJSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501293 753752627 /nfs/dbraw/zinc/75/26/27/753752627.db2.gz MZKHXHWMCHEGET-OGOZQZCJSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046566399 753796202 /nfs/dbraw/zinc/79/62/02/753796202.db2.gz AGVMEUDOACAHFT-DOTOQJQBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046566399 753796204 /nfs/dbraw/zinc/79/62/04/753796204.db2.gz AGVMEUDOACAHFT-DOTOQJQBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046566399 753796206 /nfs/dbraw/zinc/79/62/06/753796206.db2.gz AGVMEUDOACAHFT-DOTOQJQBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566399 753796208 /nfs/dbraw/zinc/79/62/08/753796208.db2.gz AGVMEUDOACAHFT-DOTOQJQBSA-N 2 1 307.438 0.700 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083832523 753960146 /nfs/dbraw/zinc/96/01/46/753960146.db2.gz KNVRMAXWKIKTOD-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832523 753960149 /nfs/dbraw/zinc/96/01/49/753960149.db2.gz KNVRMAXWKIKTOD-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832523 753960156 /nfs/dbraw/zinc/96/01/56/753960156.db2.gz KNVRMAXWKIKTOD-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832523 753960163 /nfs/dbraw/zinc/96/01/63/753960163.db2.gz KNVRMAXWKIKTOD-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128782775 754282573 /nfs/dbraw/zinc/28/25/73/754282573.db2.gz BRGOJRJFNAYGAL-KBPBESRZSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215425 755185991 /nfs/dbraw/zinc/18/59/91/755185991.db2.gz CZSSILBCMYLTMF-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789734 755400723 /nfs/dbraw/zinc/40/07/23/755400723.db2.gz FOVIQUUKHUNGGQ-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789734 755400728 /nfs/dbraw/zinc/40/07/28/755400728.db2.gz FOVIQUUKHUNGGQ-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090355492 755666199 /nfs/dbraw/zinc/66/61/99/755666199.db2.gz PVBGNWGFPJZELZ-HZPDHXFCSA-N 2 1 321.465 0.990 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054109519 756370083 /nfs/dbraw/zinc/37/00/83/756370083.db2.gz OAHRBWPKJQKVEF-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054109519 756370085 /nfs/dbraw/zinc/37/00/85/756370085.db2.gz OAHRBWPKJQKVEF-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054109519 756370087 /nfs/dbraw/zinc/37/00/87/756370087.db2.gz OAHRBWPKJQKVEF-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054109519 756370090 /nfs/dbraw/zinc/37/00/90/756370090.db2.gz OAHRBWPKJQKVEF-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081673105 756751925 /nfs/dbraw/zinc/75/19/25/756751925.db2.gz XQBUZAOPBQGOIE-BZUAXINKSA-N 2 1 305.422 0.167 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081673105 756751927 /nfs/dbraw/zinc/75/19/27/756751927.db2.gz XQBUZAOPBQGOIE-BZUAXINKSA-N 2 1 305.422 0.167 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001083938655 757560240 /nfs/dbraw/zinc/56/02/40/757560240.db2.gz JAKHOQLYVAEOEI-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083938655 757560248 /nfs/dbraw/zinc/56/02/48/757560248.db2.gz JAKHOQLYVAEOEI-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938655 757560259 /nfs/dbraw/zinc/56/02/59/757560259.db2.gz JAKHOQLYVAEOEI-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938655 757560261 /nfs/dbraw/zinc/56/02/61/757560261.db2.gz JAKHOQLYVAEOEI-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447510 757841073 /nfs/dbraw/zinc/84/10/73/757841073.db2.gz QMHYSIRJLRFPBK-KLHDSHLOSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447510 757841083 /nfs/dbraw/zinc/84/10/83/757841083.db2.gz QMHYSIRJLRFPBK-KLHDSHLOSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447510 757841093 /nfs/dbraw/zinc/84/10/93/757841093.db2.gz QMHYSIRJLRFPBK-KLHDSHLOSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447510 757841099 /nfs/dbraw/zinc/84/10/99/757841099.db2.gz QMHYSIRJLRFPBK-KLHDSHLOSA-N 2 1 307.438 0.814 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001084722608 757986503 /nfs/dbraw/zinc/98/65/03/757986503.db2.gz WRPBFEQQBPBYKO-HZPDHXFCSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722608 757986505 /nfs/dbraw/zinc/98/65/05/757986505.db2.gz WRPBFEQQBPBYKO-HZPDHXFCSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911280 758120160 /nfs/dbraw/zinc/12/01/60/758120160.db2.gz UXCVOCSRQVTJGC-PMPSAXMXSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911280 758120169 /nfs/dbraw/zinc/12/01/69/758120169.db2.gz UXCVOCSRQVTJGC-PMPSAXMXSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911280 758120178 /nfs/dbraw/zinc/12/01/78/758120178.db2.gz UXCVOCSRQVTJGC-PMPSAXMXSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911280 758120187 /nfs/dbraw/zinc/12/01/87/758120187.db2.gz UXCVOCSRQVTJGC-PMPSAXMXSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911280 758120196 /nfs/dbraw/zinc/12/01/96/758120196.db2.gz UXCVOCSRQVTJGC-PMPSAXMXSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995962 759096965 /nfs/dbraw/zinc/09/69/65/759096965.db2.gz HRBIEZHPFDZPTQ-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995974 759097364 /nfs/dbraw/zinc/09/73/64/759097364.db2.gz IBISDZBXAMNPPZ-HOTGVXAUSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995974 759097371 /nfs/dbraw/zinc/09/73/71/759097371.db2.gz IBISDZBXAMNPPZ-HOTGVXAUSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052030075 759129202 /nfs/dbraw/zinc/12/92/02/759129202.db2.gz GWERSSFYWQQLMS-IXDOHACOSA-N 2 1 318.465 0.178 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052030075 759129206 /nfs/dbraw/zinc/12/92/06/759129206.db2.gz GWERSSFYWQQLMS-IXDOHACOSA-N 2 1 318.465 0.178 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052084357 759166918 /nfs/dbraw/zinc/16/69/18/759166918.db2.gz VQDAZVVJHSPXEF-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052084357 759166928 /nfs/dbraw/zinc/16/69/28/759166928.db2.gz VQDAZVVJHSPXEF-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052084353 759167777 /nfs/dbraw/zinc/16/77/77/759167777.db2.gz VQDAZVVJHSPXEF-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052084353 759167782 /nfs/dbraw/zinc/16/77/82/759167782.db2.gz VQDAZVVJHSPXEF-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117677 759190900 /nfs/dbraw/zinc/19/09/00/759190900.db2.gz XBIXISGCYIDQDB-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731938 759244961 /nfs/dbraw/zinc/24/49/61/759244961.db2.gz NXVWXKXWBYPALI-KRIMKBQASA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731938 759244970 /nfs/dbraw/zinc/24/49/70/759244970.db2.gz NXVWXKXWBYPALI-KRIMKBQASA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731938 759244978 /nfs/dbraw/zinc/24/49/78/759244978.db2.gz NXVWXKXWBYPALI-KRIMKBQASA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731938 759244985 /nfs/dbraw/zinc/24/49/85/759244985.db2.gz NXVWXKXWBYPALI-KRIMKBQASA-N 2 1 305.422 0.568 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086052119 759636747 /nfs/dbraw/zinc/63/67/47/759636747.db2.gz APPOXDJKUZYMKZ-FRRDWIJNSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086052119 759636756 /nfs/dbraw/zinc/63/67/56/759636756.db2.gz APPOXDJKUZYMKZ-FRRDWIJNSA-N 2 1 301.818 0.554 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174571 767930427 /nfs/dbraw/zinc/93/04/27/767930427.db2.gz PKWQJNRJLMQCFE-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292807 767960193 /nfs/dbraw/zinc/96/01/93/767960193.db2.gz UPCMOJMWTSGXHE-HZPDHXFCSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292807 767960197 /nfs/dbraw/zinc/96/01/97/767960197.db2.gz UPCMOJMWTSGXHE-HZPDHXFCSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001148292807 767960200 /nfs/dbraw/zinc/96/02/00/767960200.db2.gz UPCMOJMWTSGXHE-HZPDHXFCSA-N 2 1 319.449 0.368 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275338 761160275 /nfs/dbraw/zinc/16/02/75/761160275.db2.gz HEFNCORMRHPIKM-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688451 761509144 /nfs/dbraw/zinc/50/91/44/761509144.db2.gz PHZFYEYSSVPLDZ-LTIDMASMSA-N 2 1 321.465 0.944 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688451 761509146 /nfs/dbraw/zinc/50/91/46/761509146.db2.gz PHZFYEYSSVPLDZ-LTIDMASMSA-N 2 1 321.465 0.944 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090435822 761671470 /nfs/dbraw/zinc/67/14/70/761671470.db2.gz KQEPIEASQULOHT-LSDHHAIUSA-N 2 1 300.362 0.685 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227223 761724587 /nfs/dbraw/zinc/72/45/87/761724587.db2.gz BEBRBZCLTBPNLP-MAUKXSAKSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589361 762907372 /nfs/dbraw/zinc/90/73/72/762907372.db2.gz WZSSXZMCKIGFCS-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298440 762926559 /nfs/dbraw/zinc/92/65/59/762926559.db2.gz KTQJUSXOZAULPW-SUJAAXHWSA-N 2 1 305.422 0.023 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298440 762926561 /nfs/dbraw/zinc/92/65/61/762926561.db2.gz KTQJUSXOZAULPW-SUJAAXHWSA-N 2 1 305.422 0.023 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298440 762926564 /nfs/dbraw/zinc/92/65/64/762926564.db2.gz KTQJUSXOZAULPW-SUJAAXHWSA-N 2 1 305.422 0.023 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064585 763272614 /nfs/dbraw/zinc/27/26/14/763272614.db2.gz OLVVLXJPYHLATL-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064585 763272618 /nfs/dbraw/zinc/27/26/18/763272618.db2.gz OLVVLXJPYHLATL-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064585 763272625 /nfs/dbraw/zinc/27/26/25/763272625.db2.gz OLVVLXJPYHLATL-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100073960 763282720 /nfs/dbraw/zinc/28/27/20/763282720.db2.gz IBZXWBIHJKELQM-HUUCEWRRSA-N 2 1 307.438 0.600 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127577 763335845 /nfs/dbraw/zinc/33/58/45/763335845.db2.gz WZKNLSBILPIWKU-JKSUJKDBSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343823 763506595 /nfs/dbraw/zinc/50/65/95/763506595.db2.gz VAYHGJYKSVEYDV-PRLABOORSA-N 2 1 307.438 0.461 20 30 DCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001100605598 763677872 /nfs/dbraw/zinc/67/78/72/763677872.db2.gz KLQAFEAWEXMQHT-UYSNPLJNSA-N 2 1 307.438 0.603 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678859 763720407 /nfs/dbraw/zinc/72/04/07/763720407.db2.gz ZNPSBVWVCXFVTQ-FHERZECASA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001101525154 764133674 /nfs/dbraw/zinc/13/36/74/764133674.db2.gz HFPSVTQDXKSPGG-MRXNPFEDSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001101525154 764133678 /nfs/dbraw/zinc/13/36/78/764133678.db2.gz HFPSVTQDXKSPGG-MRXNPFEDSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099003 768191583 /nfs/dbraw/zinc/19/15/83/768191583.db2.gz BLDJCFBDYBFCLV-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099003 768191586 /nfs/dbraw/zinc/19/15/86/768191586.db2.gz BLDJCFBDYBFCLV-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132266724 764345270 /nfs/dbraw/zinc/34/52/70/764345270.db2.gz ZEEULSRPLRGRMC-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132266724 764345274 /nfs/dbraw/zinc/34/52/74/764345274.db2.gz ZEEULSRPLRGRMC-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269451 764346767 /nfs/dbraw/zinc/34/67/67/764346767.db2.gz KDEGYPKVPSFGOT-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269451 764346772 /nfs/dbraw/zinc/34/67/72/764346772.db2.gz KDEGYPKVPSFGOT-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132359516 764416437 /nfs/dbraw/zinc/41/64/37/764416437.db2.gz MPBZVTZRZHAYLS-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132359516 764416440 /nfs/dbraw/zinc/41/64/40/764416440.db2.gz MPBZVTZRZHAYLS-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409906 764447358 /nfs/dbraw/zinc/44/73/58/764447358.db2.gz GSDIPBBSKQHUIS-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409906 764447362 /nfs/dbraw/zinc/44/73/62/764447362.db2.gz GSDIPBBSKQHUIS-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409906 764447367 /nfs/dbraw/zinc/44/73/67/764447367.db2.gz GSDIPBBSKQHUIS-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409906 764447369 /nfs/dbraw/zinc/44/73/69/764447369.db2.gz GSDIPBBSKQHUIS-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409907 764447527 /nfs/dbraw/zinc/44/75/27/764447527.db2.gz GSDIPBBSKQHUIS-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409907 764447530 /nfs/dbraw/zinc/44/75/30/764447530.db2.gz GSDIPBBSKQHUIS-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409907 764447532 /nfs/dbraw/zinc/44/75/32/764447532.db2.gz GSDIPBBSKQHUIS-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409907 764447533 /nfs/dbraw/zinc/44/75/33/764447533.db2.gz GSDIPBBSKQHUIS-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132411258 764449530 /nfs/dbraw/zinc/44/95/30/764449530.db2.gz XBEQXTAPBGQPML-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132411258 764449531 /nfs/dbraw/zinc/44/95/31/764449531.db2.gz XBEQXTAPBGQPML-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132411258 764449537 /nfs/dbraw/zinc/44/95/37/764449537.db2.gz XBEQXTAPBGQPML-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132411258 764449542 /nfs/dbraw/zinc/44/95/42/764449542.db2.gz XBEQXTAPBGQPML-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369988 764618760 /nfs/dbraw/zinc/61/87/60/764618760.db2.gz MXZDHIYXSWYYAC-GVDBMIGSSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369988 764618766 /nfs/dbraw/zinc/61/87/66/764618766.db2.gz MXZDHIYXSWYYAC-GVDBMIGSSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369988 764618769 /nfs/dbraw/zinc/61/87/69/764618769.db2.gz MXZDHIYXSWYYAC-GVDBMIGSSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580830 764712476 /nfs/dbraw/zinc/71/24/76/764712476.db2.gz NBZISPKLNRCYBX-GDBMZVCRSA-N 2 1 318.421 0.525 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580830 764712489 /nfs/dbraw/zinc/71/24/89/764712489.db2.gz NBZISPKLNRCYBX-GDBMZVCRSA-N 2 1 318.421 0.525 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203353 768241406 /nfs/dbraw/zinc/24/14/06/768241406.db2.gz LKQFEMYHFIKNOH-WBVHZDCISA-N 2 1 301.434 0.886 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001103724623 765113040 /nfs/dbraw/zinc/11/30/40/765113040.db2.gz MSAKQDZHBUQCMA-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133865694 765191685 /nfs/dbraw/zinc/19/16/85/765191685.db2.gz FDKPBBNLFPDNKI-BBRMVZONSA-N 2 1 300.406 0.962 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861526 765410801 /nfs/dbraw/zinc/41/08/01/765410801.db2.gz RONVCEGVXJXQDY-YOEHRIQHSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134759001 765656973 /nfs/dbraw/zinc/65/69/73/765656973.db2.gz DYIQBEWSLBBANV-CQSZACIVSA-N 2 1 310.442 0.257 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292692 765678064 /nfs/dbraw/zinc/67/80/64/765678064.db2.gz SZGMAHYEGXZXDH-VQFNDLOPSA-N 2 1 319.449 0.559 20 30 DCEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124866659 768316216 /nfs/dbraw/zinc/31/62/16/768316216.db2.gz IINHFYDCAZPXHS-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP N#Cc1ccc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)cc1 ZINC001135349799 765900874 /nfs/dbraw/zinc/90/08/74/765900874.db2.gz CPZGMVCMEDBGFR-UHFFFAOYSA-N 2 1 316.405 0.486 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090573813 766328216 /nfs/dbraw/zinc/32/82/16/766328216.db2.gz PAXVDLYMMLRNLX-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090573813 766328224 /nfs/dbraw/zinc/32/82/24/766328224.db2.gz PAXVDLYMMLRNLX-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090573813 766328228 /nfs/dbraw/zinc/32/82/28/766328228.db2.gz PAXVDLYMMLRNLX-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090732673 766529599 /nfs/dbraw/zinc/52/95/99/766529599.db2.gz CNJMAQNLEYNXJP-HOCLYGCPSA-N 2 1 318.421 0.889 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090732673 766529606 /nfs/dbraw/zinc/52/96/06/766529606.db2.gz CNJMAQNLEYNXJP-HOCLYGCPSA-N 2 1 318.421 0.889 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855167 768886985 /nfs/dbraw/zinc/88/69/85/768886985.db2.gz WELANAGHRVMIFW-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855167 768886998 /nfs/dbraw/zinc/88/69/98/768886998.db2.gz WELANAGHRVMIFW-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149855167 768887011 /nfs/dbraw/zinc/88/70/11/768887011.db2.gz WELANAGHRVMIFW-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417591 769090136 /nfs/dbraw/zinc/09/01/36/769090136.db2.gz OLIUHQORLJPGGD-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCN2CCOCC2)C1 ZINC001150453434 769100112 /nfs/dbraw/zinc/10/01/12/769100112.db2.gz TYNZZCWHHGLMBS-OAHLLOKOSA-N 2 1 311.426 0.102 20 30 DCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150453434 769100128 /nfs/dbraw/zinc/10/01/28/769100128.db2.gz TYNZZCWHHGLMBS-OAHLLOKOSA-N 2 1 311.426 0.102 20 30 DCEDMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(C#N)cc2[O-])CCC1=O ZINC001233386751 769365055 /nfs/dbraw/zinc/36/50/55/769365055.db2.gz HLIJVRXVYDUNNH-UHFFFAOYSA-N 2 1 316.405 0.860 20 30 DCEDMP C[NH+](C)CCN1CC[N@H+](Cc2ccc(C#N)cc2O)CCC1=O ZINC001233386751 769365063 /nfs/dbraw/zinc/36/50/63/769365063.db2.gz HLIJVRXVYDUNNH-UHFFFAOYSA-N 2 1 316.405 0.860 20 30 DCEDMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(C#N)cc2O)CCC1=O ZINC001233386751 769365073 /nfs/dbraw/zinc/36/50/73/769365073.db2.gz HLIJVRXVYDUNNH-UHFFFAOYSA-N 2 1 316.405 0.860 20 30 DCEDMP C=CCN1CC[NH+](C)C2(CCN([C@H]3CC[N@@H+](CC)C3)CC2)C1=O ZINC001173362257 769605410 /nfs/dbraw/zinc/60/54/10/769605410.db2.gz RDDZQRHHRUGUOT-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCN1CC[NH+](C)C2(CCN([C@H]3CC[N@H+](CC)C3)CC2)C1=O ZINC001173362257 769605418 /nfs/dbraw/zinc/60/54/18/769605418.db2.gz RDDZQRHHRUGUOT-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCN1CC[N@@H+](C)C2(CCN([C@H]3CC[NH+](CC)C3)CC2)C1=O ZINC001173362257 769605424 /nfs/dbraw/zinc/60/54/24/769605424.db2.gz RDDZQRHHRUGUOT-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCN1CC[N@H+](C)C2(CCN([C@H]3CC[NH+](CC)C3)CC2)C1=O ZINC001173362257 769605428 /nfs/dbraw/zinc/60/54/28/769605428.db2.gz RDDZQRHHRUGUOT-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176986321 770273284 /nfs/dbraw/zinc/27/32/84/770273284.db2.gz KSAQQIRZGYOFNZ-AWEZNQCLSA-N 2 1 310.442 0.259 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898298 770330326 /nfs/dbraw/zinc/33/03/26/770330326.db2.gz GSAUOPQUOXUCJB-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024444 770370078 /nfs/dbraw/zinc/37/00/78/770370078.db2.gz ZZZVJMNYUQYCHM-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156882296 770953588 /nfs/dbraw/zinc/95/35/88/770953588.db2.gz BXYLWABEVXLLPQ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156882296 770953583 /nfs/dbraw/zinc/95/35/83/770953583.db2.gz BXYLWABEVXLLPQ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156882296 770953591 /nfs/dbraw/zinc/95/35/91/770953591.db2.gz BXYLWABEVXLLPQ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156882296 770953595 /nfs/dbraw/zinc/95/35/95/770953595.db2.gz BXYLWABEVXLLPQ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@H]1C ZINC001180023631 771052476 /nfs/dbraw/zinc/05/24/76/771052476.db2.gz CFOAAENLXBGISO-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)O)CC1 ZINC001157092350 771532521 /nfs/dbraw/zinc/53/25/21/771532521.db2.gz SZNVGYFWIRRQOR-CABCVRRESA-N 2 1 309.454 0.539 20 30 DCEDMP CN1CCN(C(=N)Nc2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001157910649 771691173 /nfs/dbraw/zinc/69/11/73/771691173.db2.gz POTHPSJDDFSGSO-UHFFFAOYSA-N 2 1 313.409 0.583 20 30 DCEDMP CN1CCN(C(=[NH2+])Nc2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001157910649 771691178 /nfs/dbraw/zinc/69/11/78/771691178.db2.gz POTHPSJDDFSGSO-UHFFFAOYSA-N 2 1 313.409 0.583 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001160197924 772007608 /nfs/dbraw/zinc/00/76/08/772007608.db2.gz OEOQDAYJHBFVEW-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001160197924 772007615 /nfs/dbraw/zinc/00/76/15/772007615.db2.gz OEOQDAYJHBFVEW-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCOC)CC1 ZINC001160386228 772030739 /nfs/dbraw/zinc/03/07/39/772030739.db2.gz NYRWPTINBSXKAO-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCOC)CC1 ZINC001160386228 772030746 /nfs/dbraw/zinc/03/07/46/772030746.db2.gz NYRWPTINBSXKAO-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCOC)CC1 ZINC001160386228 772030753 /nfs/dbraw/zinc/03/07/53/772030753.db2.gz NYRWPTINBSXKAO-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCOC)CC1 ZINC001160386228 772030759 /nfs/dbraw/zinc/03/07/59/772030759.db2.gz NYRWPTINBSXKAO-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC12CCOCC2 ZINC001186553956 772054068 /nfs/dbraw/zinc/05/40/68/772054068.db2.gz YUTPAHRRRUBNIN-CVEARBPZSA-N 2 1 319.449 0.416 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879411 772294185 /nfs/dbraw/zinc/29/41/85/772294185.db2.gz LFFIMOVOFACNDR-INIZCTEOSA-N 2 1 319.449 0.726 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190644423 772656936 /nfs/dbraw/zinc/65/69/36/772656936.db2.gz HGWPVAUOBYDNIP-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190644423 772656938 /nfs/dbraw/zinc/65/69/38/772656938.db2.gz HGWPVAUOBYDNIP-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644983 772657003 /nfs/dbraw/zinc/65/70/03/772657003.db2.gz PEXVSWLSBNSAHD-HOTGVXAUSA-N 2 1 317.437 0.369 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644983 772657006 /nfs/dbraw/zinc/65/70/06/772657006.db2.gz PEXVSWLSBNSAHD-HOTGVXAUSA-N 2 1 317.437 0.369 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596806 772686820 /nfs/dbraw/zinc/68/68/20/772686820.db2.gz SHJPGVRUEXFBNR-CVEARBPZSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001190909572 772697981 /nfs/dbraw/zinc/69/79/81/772697981.db2.gz DGAXNHXBGYHXCT-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191020279 772709914 /nfs/dbraw/zinc/70/99/14/772709914.db2.gz VCWOFYSDHCIRRZ-AWEZNQCLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191020279 772709916 /nfs/dbraw/zinc/70/99/16/772709916.db2.gz VCWOFYSDHCIRRZ-AWEZNQCLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191020279 772709920 /nfs/dbraw/zinc/70/99/20/772709920.db2.gz VCWOFYSDHCIRRZ-AWEZNQCLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191020279 772709925 /nfs/dbraw/zinc/70/99/25/772709925.db2.gz VCWOFYSDHCIRRZ-AWEZNQCLSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001165484961 772742052 /nfs/dbraw/zinc/74/20/52/772742052.db2.gz IQGXHCSNFDSRQW-HNNXBMFYSA-N 2 1 317.437 0.323 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](C)O)CC1 ZINC001165545228 772746519 /nfs/dbraw/zinc/74/65/19/772746519.db2.gz GUJCDBZRGQWSFG-GJZGRUSLSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](C)O)CC1 ZINC001165545228 772746523 /nfs/dbraw/zinc/74/65/23/772746523.db2.gz GUJCDBZRGQWSFG-GJZGRUSLSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191949202 772847817 /nfs/dbraw/zinc/84/78/17/772847817.db2.gz PJELKLOHRMEDEP-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191949202 772847818 /nfs/dbraw/zinc/84/78/18/772847818.db2.gz PJELKLOHRMEDEP-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191949202 772847820 /nfs/dbraw/zinc/84/78/20/772847820.db2.gz PJELKLOHRMEDEP-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191949202 772847822 /nfs/dbraw/zinc/84/78/22/772847822.db2.gz PJELKLOHRMEDEP-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950588 772847885 /nfs/dbraw/zinc/84/78/85/772847885.db2.gz VANPRPJLCYNYOR-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950588 772847886 /nfs/dbraw/zinc/84/78/86/772847886.db2.gz VANPRPJLCYNYOR-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191950588 772847888 /nfs/dbraw/zinc/84/78/88/772847888.db2.gz VANPRPJLCYNYOR-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191950588 772847890 /nfs/dbraw/zinc/84/78/90/772847890.db2.gz VANPRPJLCYNYOR-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192190721 772882527 /nfs/dbraw/zinc/88/25/27/772882527.db2.gz RBIDHLRWSNBOJW-JKSUJKDBSA-N 2 1 309.454 0.755 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192342533 772907957 /nfs/dbraw/zinc/90/79/57/772907957.db2.gz GBEDYXALYQRYOW-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001192342533 772907960 /nfs/dbraw/zinc/90/79/60/772907960.db2.gz GBEDYXALYQRYOW-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342533 772907961 /nfs/dbraw/zinc/90/79/61/772907961.db2.gz GBEDYXALYQRYOW-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342533 772907964 /nfs/dbraw/zinc/90/79/64/772907964.db2.gz GBEDYXALYQRYOW-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203508614 772910575 /nfs/dbraw/zinc/91/05/75/772910575.db2.gz ZREPBLSHMFIZHZ-HUUCEWRRSA-N 2 1 307.438 0.912 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791722 772924529 /nfs/dbraw/zinc/92/45/29/772924529.db2.gz KIESFRJZRKPNIP-HOTGVXAUSA-N 2 1 321.465 0.993 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206274290 773061194 /nfs/dbraw/zinc/06/11/94/773061194.db2.gz HLCOKTFOPBEYAY-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007038 773305727 /nfs/dbraw/zinc/30/57/27/773305727.db2.gz VIFIEENVVSKMKU-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197000256 773679289 /nfs/dbraw/zinc/67/92/89/773679289.db2.gz ADPZVUVAFYZCBI-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197000256 773679291 /nfs/dbraw/zinc/67/92/91/773679291.db2.gz ADPZVUVAFYZCBI-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197000256 773679295 /nfs/dbraw/zinc/67/92/95/773679295.db2.gz ADPZVUVAFYZCBI-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197000256 773679297 /nfs/dbraw/zinc/67/92/97/773679297.db2.gz ADPZVUVAFYZCBI-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673955 773729067 /nfs/dbraw/zinc/72/90/67/773729067.db2.gz KOVLBPCKAJGCMG-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213767006 773885465 /nfs/dbraw/zinc/88/54/65/773885465.db2.gz CIWCCRZJUHSODX-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213767006 773885471 /nfs/dbraw/zinc/88/54/71/773885471.db2.gz CIWCCRZJUHSODX-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767006 773885476 /nfs/dbraw/zinc/88/54/76/773885476.db2.gz CIWCCRZJUHSODX-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767006 773885483 /nfs/dbraw/zinc/88/54/83/773885483.db2.gz CIWCCRZJUHSODX-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184381 774047404 /nfs/dbraw/zinc/04/74/04/774047404.db2.gz AYZGLDZWEPVBQC-MYPHYYIGSA-N 2 1 317.433 0.309 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199827345 774218688 /nfs/dbraw/zinc/21/86/88/774218688.db2.gz VFWBQTMMEXUJAN-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201405073 774502195 /nfs/dbraw/zinc/50/21/95/774502195.db2.gz ZUYVKXQKCXOLOJ-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202070255 774597267 /nfs/dbraw/zinc/59/72/67/774597267.db2.gz SGJNOKYYLWDQTA-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202070253 774597426 /nfs/dbraw/zinc/59/74/26/774597426.db2.gz SGJNOKYYLWDQTA-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666248 774702681 /nfs/dbraw/zinc/70/26/81/774702681.db2.gz FADYIJZHVJPXBN-WCXIOVBPSA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666248 774702690 /nfs/dbraw/zinc/70/26/90/774702690.db2.gz FADYIJZHVJPXBN-WCXIOVBPSA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CCN1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813455 775203237 /nfs/dbraw/zinc/20/32/37/775203237.db2.gz JYXAFIULQPMYHD-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950214 775233989 /nfs/dbraw/zinc/23/39/89/775233989.db2.gz XTTNGFWOGGPKKZ-HZPDHXFCSA-N 2 1 319.449 0.818 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962773 775237000 /nfs/dbraw/zinc/23/70/00/775237000.db2.gz VPPSHLJQRGTBDK-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962773 775237009 /nfs/dbraw/zinc/23/70/09/775237009.db2.gz VPPSHLJQRGTBDK-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013766 775248731 /nfs/dbraw/zinc/24/87/31/775248731.db2.gz KXHBSHDAWRNUFI-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013766 775248740 /nfs/dbraw/zinc/24/87/40/775248740.db2.gz KXHBSHDAWRNUFI-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013766 775248749 /nfs/dbraw/zinc/24/87/49/775248749.db2.gz KXHBSHDAWRNUFI-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013766 775248756 /nfs/dbraw/zinc/24/87/56/775248756.db2.gz KXHBSHDAWRNUFI-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225379033 775673111 /nfs/dbraw/zinc/67/31/11/775673111.db2.gz WCDQZFUVQLNZKM-KFWWJZLASA-N 2 1 322.453 0.400 20 30 DCEDMP C=CCC[NH+]1CCC(NC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227797562 776006988 /nfs/dbraw/zinc/00/69/88/776006988.db2.gz JUGOVNWMMCNGIU-INIZCTEOSA-N 2 1 319.453 0.970 20 30 DCEDMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21)[NH+](CC)CC ZINC001114829613 776195268 /nfs/dbraw/zinc/19/52/68/776195268.db2.gz ZFVWYNCGXFUKKY-VVLHAWIVSA-N 2 1 321.465 0.803 20 30 DCEDMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21)[NH+](CC)CC ZINC001114829612 776195301 /nfs/dbraw/zinc/19/53/01/776195301.db2.gz ZFVWYNCGXFUKKY-TWMKSMIVSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229502943 776196048 /nfs/dbraw/zinc/19/60/48/776196048.db2.gz BTLYCXIEJANYLY-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001230105310 776252268 /nfs/dbraw/zinc/25/22/68/776252268.db2.gz HRWLULMZSVHNDP-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138172 776256859 /nfs/dbraw/zinc/25/68/59/776256859.db2.gz IUSHULURLBVTJQ-RRFJBIMHSA-N 2 1 322.453 0.257 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138244 776258296 /nfs/dbraw/zinc/25/82/96/776258296.db2.gz LLMDODFNXYEHGN-BZUAXINKSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001230613464 776353765 /nfs/dbraw/zinc/35/37/65/776353765.db2.gz ODCGYFCLZZSKIH-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041743148 777462693 /nfs/dbraw/zinc/46/26/93/777462693.db2.gz IRIYWXVYNKAMAZ-KRWDZBQOSA-N 2 1 307.438 0.819 20 30 DCEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041743148 777462695 /nfs/dbraw/zinc/46/26/95/777462695.db2.gz IRIYWXVYNKAMAZ-KRWDZBQOSA-N 2 1 307.438 0.819 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC001041844973 777537909 /nfs/dbraw/zinc/53/79/09/777537909.db2.gz QMCYHZRJFFRUDH-LJQANCHMSA-N 2 1 313.445 0.889 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042291992 777842033 /nfs/dbraw/zinc/84/20/33/777842033.db2.gz JVOYOHYGNQNMQS-RDJZCZTQSA-N 2 1 319.449 0.653 20 30 DCEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CC(N)=O)C[C@H]3CC2)cc1C#N ZINC001277981647 945079455 /nfs/dbraw/zinc/07/94/55/945079455.db2.gz NINFOAMASHSNFT-GASCZTMLSA-N 2 1 315.421 0.526 20 30 DCEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)cc1C#N ZINC001277981647 945079467 /nfs/dbraw/zinc/07/94/67/945079467.db2.gz NINFOAMASHSNFT-GASCZTMLSA-N 2 1 315.421 0.526 20 30 DCEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)cc1C#N ZINC001277981647 945079477 /nfs/dbraw/zinc/07/94/77/945079477.db2.gz NINFOAMASHSNFT-GASCZTMLSA-N 2 1 315.421 0.526 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001278130987 945150301 /nfs/dbraw/zinc/15/03/01/945150301.db2.gz YNYCEVMANAWSON-IAGOWNOFSA-N 2 1 315.417 0.199 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001273031351 945208633 /nfs/dbraw/zinc/20/86/33/945208633.db2.gz VUXNLHLMKDCZCX-KRWDZBQOSA-N 2 1 305.422 0.170 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cncs1 ZINC001266728811 939222232 /nfs/dbraw/zinc/22/22/32/939222232.db2.gz MDBVHAUAOCWOLL-AWEZNQCLSA-N 2 1 306.435 0.789 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cncs1 ZINC001266728811 939222234 /nfs/dbraw/zinc/22/22/34/939222234.db2.gz MDBVHAUAOCWOLL-AWEZNQCLSA-N 2 1 306.435 0.789 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267113245 939347906 /nfs/dbraw/zinc/34/79/06/939347906.db2.gz HCICAPWWCUBXJM-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267113245 939347911 /nfs/dbraw/zinc/34/79/11/939347911.db2.gz HCICAPWWCUBXJM-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267303606 939420429 /nfs/dbraw/zinc/42/04/29/939420429.db2.gz PQPKOGUTIIMQEW-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267303606 939420431 /nfs/dbraw/zinc/42/04/31/939420431.db2.gz PQPKOGUTIIMQEW-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267303606 939420433 /nfs/dbraw/zinc/42/04/33/939420433.db2.gz PQPKOGUTIIMQEW-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001267512949 939481339 /nfs/dbraw/zinc/48/13/39/939481339.db2.gz ZGGSCQBJLGOTBK-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001267512949 939481342 /nfs/dbraw/zinc/48/13/42/939481342.db2.gz ZGGSCQBJLGOTBK-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001267512949 939481344 /nfs/dbraw/zinc/48/13/44/939481344.db2.gz ZGGSCQBJLGOTBK-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001267512949 939481346 /nfs/dbraw/zinc/48/13/46/939481346.db2.gz ZGGSCQBJLGOTBK-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480976262 939508525 /nfs/dbraw/zinc/50/85/25/939508525.db2.gz ZQEXTSABPVFLEF-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480976262 939508526 /nfs/dbraw/zinc/50/85/26/939508526.db2.gz ZQEXTSABPVFLEF-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480976262 939508527 /nfs/dbraw/zinc/50/85/27/939508527.db2.gz ZQEXTSABPVFLEF-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480976262 939508528 /nfs/dbraw/zinc/50/85/28/939508528.db2.gz ZQEXTSABPVFLEF-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001267576838 939522417 /nfs/dbraw/zinc/52/24/17/939522417.db2.gz ZJJZYHHYXIHEJN-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267601922 939544745 /nfs/dbraw/zinc/54/47/45/939544745.db2.gz TYXBUEYPJPHZEJ-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267601922 939544748 /nfs/dbraw/zinc/54/47/48/939544748.db2.gz TYXBUEYPJPHZEJ-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267601922 939544749 /nfs/dbraw/zinc/54/47/49/939544749.db2.gz TYXBUEYPJPHZEJ-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267709384 939633837 /nfs/dbraw/zinc/63/38/37/939633837.db2.gz WHPZJTVQKXLCBI-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001481453637 939800834 /nfs/dbraw/zinc/80/08/34/939800834.db2.gz XEOOZKCKJZXZFN-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001481453637 939800836 /nfs/dbraw/zinc/80/08/36/939800836.db2.gz XEOOZKCKJZXZFN-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001481468943 939884278 /nfs/dbraw/zinc/88/42/78/939884278.db2.gz NEFBAMWZYZMQQL-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001481468943 939884282 /nfs/dbraw/zinc/88/42/82/939884282.db2.gz NEFBAMWZYZMQQL-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001481526129 939918064 /nfs/dbraw/zinc/91/80/64/939918064.db2.gz VPNOPBCPNIWUKU-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001481526129 939918066 /nfs/dbraw/zinc/91/80/66/939918066.db2.gz VPNOPBCPNIWUKU-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001481526129 939918071 /nfs/dbraw/zinc/91/80/71/939918071.db2.gz VPNOPBCPNIWUKU-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001481526129 939918073 /nfs/dbraw/zinc/91/80/73/939918073.db2.gz VPNOPBCPNIWUKU-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001268118571 939951116 /nfs/dbraw/zinc/95/11/16/939951116.db2.gz OAIBGWPQSNRYNY-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001268118571 939951118 /nfs/dbraw/zinc/95/11/18/939951118.db2.gz OAIBGWPQSNRYNY-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268321330 940057603 /nfs/dbraw/zinc/05/76/03/940057603.db2.gz MOSMTUQYQRLZCE-BBRMVZONSA-N 2 1 313.417 0.289 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001482189685 940325390 /nfs/dbraw/zinc/32/53/90/940325390.db2.gz GUNLVAFIVAARQV-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001482189685 940325395 /nfs/dbraw/zinc/32/53/95/940325395.db2.gz GUNLVAFIVAARQV-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001482189685 940325398 /nfs/dbraw/zinc/32/53/98/940325398.db2.gz GUNLVAFIVAARQV-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001482189685 940325402 /nfs/dbraw/zinc/32/54/02/940325402.db2.gz GUNLVAFIVAARQV-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273144239 945324937 /nfs/dbraw/zinc/32/49/37/945324937.db2.gz OLLZGZUOGWDCDR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCN1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144239 945324947 /nfs/dbraw/zinc/32/49/47/945324947.db2.gz OLLZGZUOGWDCDR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCN1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144239 945324950 /nfs/dbraw/zinc/32/49/50/945324950.db2.gz OLLZGZUOGWDCDR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268573 940667764 /nfs/dbraw/zinc/66/77/64/940667764.db2.gz NMVCYERRBSYFGU-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268573 940667766 /nfs/dbraw/zinc/66/77/66/940667766.db2.gz NMVCYERRBSYFGU-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001270625024 940945108 /nfs/dbraw/zinc/94/51/08/940945108.db2.gz UUAFBQNSFABUAI-QGZVFWFLSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278437635 945367385 /nfs/dbraw/zinc/36/73/85/945367385.db2.gz GQZVDPGDVAREPT-WMLDXEAASA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278437635 945367394 /nfs/dbraw/zinc/36/73/94/945367394.db2.gz GQZVDPGDVAREPT-WMLDXEAASA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278437635 945367404 /nfs/dbraw/zinc/36/74/04/945367404.db2.gz GQZVDPGDVAREPT-WMLDXEAASA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278437635 945367407 /nfs/dbraw/zinc/36/74/07/945367407.db2.gz GQZVDPGDVAREPT-WMLDXEAASA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001271017454 941241777 /nfs/dbraw/zinc/24/17/77/941241777.db2.gz QEJLLGUQSOGBAS-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001271017454 941241779 /nfs/dbraw/zinc/24/17/79/941241779.db2.gz QEJLLGUQSOGBAS-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001271017454 941241782 /nfs/dbraw/zinc/24/17/82/941241782.db2.gz QEJLLGUQSOGBAS-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001271017454 941241784 /nfs/dbraw/zinc/24/17/84/941241784.db2.gz QEJLLGUQSOGBAS-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC[NH+]1CCOCC1 ZINC001271303764 941346736 /nfs/dbraw/zinc/34/67/36/941346736.db2.gz BHPLCUZBBBLDNT-MRXNPFEDSA-N 2 1 309.454 0.853 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001271738074 941439595 /nfs/dbraw/zinc/43/95/95/941439595.db2.gz FTUPCMBNAPXTJS-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272034319 941537781 /nfs/dbraw/zinc/53/77/81/941537781.db2.gz NUTICHVGLCNYBF-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077439975 942403534 /nfs/dbraw/zinc/40/35/34/942403534.db2.gz AZMWLURCDQBUAI-BZUAXINKSA-N 2 1 307.438 0.598 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077439975 942403536 /nfs/dbraw/zinc/40/35/36/942403536.db2.gz AZMWLURCDQBUAI-BZUAXINKSA-N 2 1 307.438 0.598 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001127066287 942423893 /nfs/dbraw/zinc/42/38/93/942423893.db2.gz LENQKCYVRAHGMF-HUUCEWRRSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001484637955 943491868 /nfs/dbraw/zinc/49/18/68/943491868.db2.gz XOQRRDNPAXMQPQ-UHFFFAOYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCC=C)C1 ZINC001490898127 943587186 /nfs/dbraw/zinc/58/71/86/943587186.db2.gz XGDCEFMJPCNKDK-JYJNAYRXSA-N 2 1 305.422 0.523 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCC=C)C1 ZINC001490898127 943587190 /nfs/dbraw/zinc/58/71/90/943587190.db2.gz XGDCEFMJPCNKDK-JYJNAYRXSA-N 2 1 305.422 0.523 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#CCOC)CC[N@H+]1C ZINC001484993136 943649300 /nfs/dbraw/zinc/64/93/00/943649300.db2.gz XACUORDSKWVVCV-HRCADAONSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001491025706 943715346 /nfs/dbraw/zinc/71/53/46/943715346.db2.gz NBDCRYSBCZEJGZ-BETUJISGSA-N 2 1 308.426 0.010 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001485314108 943818549 /nfs/dbraw/zinc/81/85/49/943818549.db2.gz QVCFLVYGLAZBHQ-ZDUSSCGKSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001485314108 943818555 /nfs/dbraw/zinc/81/85/55/943818555.db2.gz QVCFLVYGLAZBHQ-ZDUSSCGKSA-N 2 1 310.442 0.209 20 30 DCEDMP CC[C@H](C(=O)N1CCC([N@@H+](C)CC#CCOC)CC1)[NH+](C)C ZINC001485766690 944124725 /nfs/dbraw/zinc/12/47/25/944124725.db2.gz NVQKWFUZAXMMOS-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485997794 944471771 /nfs/dbraw/zinc/47/17/71/944471771.db2.gz RQYKHODUADNXSK-HZPDHXFCSA-N 2 1 321.465 0.731 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001486005166 944490983 /nfs/dbraw/zinc/49/09/83/944490983.db2.gz RPVOXBCLQJXURS-STQMWFEESA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001486005166 944490985 /nfs/dbraw/zinc/49/09/85/944490985.db2.gz RPVOXBCLQJXURS-STQMWFEESA-N 2 1 303.834 0.680 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181464 944626892 /nfs/dbraw/zinc/62/68/92/944626892.db2.gz SUHYLRYQNOPDDN-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181464 944626895 /nfs/dbraw/zinc/62/68/95/944626895.db2.gz SUHYLRYQNOPDDN-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001277260212 944728492 /nfs/dbraw/zinc/72/84/92/944728492.db2.gz YESKSBXTEWZWSK-CQSZACIVSA-N 2 1 322.453 0.401 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001486302284 944745025 /nfs/dbraw/zinc/74/50/25/944745025.db2.gz DDKIPAONDYKUAQ-AWEZNQCLSA-N 2 1 308.426 0.992 20 30 DCEDMP N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@@H+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277822141 944994493 /nfs/dbraw/zinc/99/44/93/944994493.db2.gz QTEXKNRMXLOYOV-RHSMWYFYSA-N 2 1 302.422 0.870 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC[C@H](C)O ZINC001319080770 945494107 /nfs/dbraw/zinc/49/41/07/945494107.db2.gz LHUSKRQZTZTBMV-BBWFWOEESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC[C@H](C)O ZINC001319080770 945494109 /nfs/dbraw/zinc/49/41/09/945494109.db2.gz LHUSKRQZTZTBMV-BBWFWOEESA-N 2 1 321.465 0.826 20 30 DCEDMP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCN[C@H](C#N)C2)CCC12C[NH2+]C2 ZINC001247008241 945539710 /nfs/dbraw/zinc/53/97/10/945539710.db2.gz MUNLIWWMIUKYRN-BFHYXJOUSA-N 2 1 306.410 0.105 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001278797708 946414788 /nfs/dbraw/zinc/41/47/88/946414788.db2.gz LGZJSWSUPUZTQF-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCO1 ZINC001273365699 946865560 /nfs/dbraw/zinc/86/55/60/946865560.db2.gz MDANXHHBZNEGTE-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(Br)CN[C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001410790227 946938270 /nfs/dbraw/zinc/93/82/70/946938270.db2.gz QKGIPXAGQXMCQI-NSHDSACASA-N 2 1 322.247 0.302 20 30 DCEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001410790227 946938283 /nfs/dbraw/zinc/93/82/83/946938283.db2.gz QKGIPXAGQXMCQI-NSHDSACASA-N 2 1 322.247 0.302 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001324353104 947397337 /nfs/dbraw/zinc/39/73/37/947397337.db2.gz ODJAIERNLNOPNH-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)[C@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001262025467 947535247 /nfs/dbraw/zinc/53/52/47/947535247.db2.gz KSFZLVPNMMUAIR-LBPRGKRZSA-N 2 1 306.414 0.107 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001324974546 947594243 /nfs/dbraw/zinc/59/42/43/947594243.db2.gz BCURXKWWMJEZDO-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001324974546 947594265 /nfs/dbraw/zinc/59/42/65/947594265.db2.gz BCURXKWWMJEZDO-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001324974546 947594280 /nfs/dbraw/zinc/59/42/80/947594280.db2.gz BCURXKWWMJEZDO-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001324974546 947594289 /nfs/dbraw/zinc/59/42/89/947594289.db2.gz BCURXKWWMJEZDO-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325109699 947659257 /nfs/dbraw/zinc/65/92/57/947659257.db2.gz GSDCLDSQPBYXHE-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109699 947659263 /nfs/dbraw/zinc/65/92/63/947659263.db2.gz GSDCLDSQPBYXHE-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109699 947659269 /nfs/dbraw/zinc/65/92/69/947659269.db2.gz GSDCLDSQPBYXHE-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001179714822 947897174 /nfs/dbraw/zinc/89/71/74/947897174.db2.gz NDXRXPUSMMBQQE-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001327144981 948405955 /nfs/dbraw/zinc/40/59/55/948405955.db2.gz BLYBLJQOZZJQQS-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001264611362 949025169 /nfs/dbraw/zinc/02/51/69/949025169.db2.gz DRWORTBBNIPJOC-RRFJBIMHSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001264611362 949025188 /nfs/dbraw/zinc/02/51/88/949025188.db2.gz DRWORTBBNIPJOC-RRFJBIMHSA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001488683234 949060845 /nfs/dbraw/zinc/06/08/45/949060845.db2.gz BBOLOJHJVZBMSZ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001488683234 949060859 /nfs/dbraw/zinc/06/08/59/949060859.db2.gz BBOLOJHJVZBMSZ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001488683234 949060877 /nfs/dbraw/zinc/06/08/77/949060877.db2.gz BBOLOJHJVZBMSZ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001488683234 949060897 /nfs/dbraw/zinc/06/08/97/949060897.db2.gz BBOLOJHJVZBMSZ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001265073182 949271820 /nfs/dbraw/zinc/27/18/20/949271820.db2.gz SVUYOPRPXARJRD-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265848225 950028701 /nfs/dbraw/zinc/02/87/01/950028701.db2.gz IHQFYIUPEOOLSU-HNNXBMFYSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265975634 950220429 /nfs/dbraw/zinc/22/04/29/950220429.db2.gz DCUPSDZQNDXBTE-OWCLPIDISA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCN2CCOCC2)C(C)(C)C1 ZINC001330245270 950225318 /nfs/dbraw/zinc/22/53/18/950225318.db2.gz XXKQLEALQAOXRZ-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001490493405 950747052 /nfs/dbraw/zinc/74/70/52/950747052.db2.gz ZRQOERWELGSNNS-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490493405 950747066 /nfs/dbraw/zinc/74/70/66/950747066.db2.gz ZRQOERWELGSNNS-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP CC#CC[NH2+][C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001490683766 950987739 /nfs/dbraw/zinc/98/77/39/950987739.db2.gz SBLVYMYTCAWRJL-HNNXBMFYSA-N 2 1 304.394 0.858 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001490778007 951096160 /nfs/dbraw/zinc/09/61/60/951096160.db2.gz USOUBCPONUOITB-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001490778007 951096174 /nfs/dbraw/zinc/09/61/74/951096174.db2.gz USOUBCPONUOITB-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001490778007 951096190 /nfs/dbraw/zinc/09/61/90/951096190.db2.gz USOUBCPONUOITB-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001490778007 951096205 /nfs/dbraw/zinc/09/62/05/951096205.db2.gz USOUBCPONUOITB-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001490778007 951096220 /nfs/dbraw/zinc/09/62/20/951096220.db2.gz USOUBCPONUOITB-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001332677761 951759282 /nfs/dbraw/zinc/75/92/82/951759282.db2.gz UJOSBBHYBUTBRA-IAGOWNOFSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H]1CCCCO1 ZINC001274792267 951842941 /nfs/dbraw/zinc/84/29/41/951842941.db2.gz XBMUGXRRKGPUMA-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H]1CCCCO1 ZINC001274792267 951842948 /nfs/dbraw/zinc/84/29/48/951842948.db2.gz XBMUGXRRKGPUMA-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3[nH]ccc3C#N)C2)C1=O ZINC001274855671 951860933 /nfs/dbraw/zinc/86/09/33/951860933.db2.gz PTPNWVYFSXWHJT-QGZVFWFLSA-N 2 1 315.421 0.872 20 30 DCEDMP C=CCn1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cn1 ZINC001275381064 952103470 /nfs/dbraw/zinc/10/34/70/952103470.db2.gz FLAXNQAGIKHQEB-IRXDYDNUSA-N 2 1 319.453 0.516 20 30 DCEDMP C=CCn1cc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cn1 ZINC001275381064 952103475 /nfs/dbraw/zinc/10/34/75/952103475.db2.gz FLAXNQAGIKHQEB-IRXDYDNUSA-N 2 1 319.453 0.516 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001282716601 953658768 /nfs/dbraw/zinc/65/87/68/953658768.db2.gz LNBSFSMIJXUPPS-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001282716601 953658772 /nfs/dbraw/zinc/65/87/72/953658772.db2.gz LNBSFSMIJXUPPS-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001282859986 953701540 /nfs/dbraw/zinc/70/15/40/953701540.db2.gz SDNZCMAKDYXBCG-HHARLNAUSA-N 2 1 319.449 0.270 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001282859986 953701556 /nfs/dbraw/zinc/70/15/56/953701556.db2.gz SDNZCMAKDYXBCG-HHARLNAUSA-N 2 1 319.449 0.270 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001282859986 953701562 /nfs/dbraw/zinc/70/15/62/953701562.db2.gz SDNZCMAKDYXBCG-HHARLNAUSA-N 2 1 319.449 0.270 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282888383 953721953 /nfs/dbraw/zinc/72/19/53/953721953.db2.gz KMFGEEVYEIIEID-WCXIOVBPSA-N 2 1 321.465 0.516 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+][C@H](C)C(N)=O)C(C)C ZINC001283450177 954360544 /nfs/dbraw/zinc/36/05/44/954360544.db2.gz WYYKMGPKXXPIIP-KFWWJZLASA-N 2 1 322.453 0.078 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+][C@H](C)C(N)=O)C(C)C ZINC001283450177 954360554 /nfs/dbraw/zinc/36/05/54/954360554.db2.gz WYYKMGPKXXPIIP-KFWWJZLASA-N 2 1 322.453 0.078 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001284493036 955128042 /nfs/dbraw/zinc/12/80/42/955128042.db2.gz PMHOFOSXBYIOAF-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001284493036 955128049 /nfs/dbraw/zinc/12/80/49/955128049.db2.gz PMHOFOSXBYIOAF-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001284493036 955128056 /nfs/dbraw/zinc/12/80/56/955128056.db2.gz PMHOFOSXBYIOAF-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001285781725 955973515 /nfs/dbraw/zinc/97/35/15/955973515.db2.gz HXXPSFNVWGREIB-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001285781725 955973522 /nfs/dbraw/zinc/97/35/22/955973522.db2.gz HXXPSFNVWGREIB-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001285781725 955973531 /nfs/dbraw/zinc/97/35/31/955973531.db2.gz HXXPSFNVWGREIB-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CC[NH+](C)CC ZINC001285781725 955973537 /nfs/dbraw/zinc/97/35/37/955973537.db2.gz HXXPSFNVWGREIB-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CC[NH+](C)CC ZINC001285781725 955973549 /nfs/dbraw/zinc/97/35/49/955973549.db2.gz HXXPSFNVWGREIB-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNCC(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001357415111 957277652 /nfs/dbraw/zinc/27/76/52/957277652.db2.gz WANHSSWVSDLNMI-WBVHZDCISA-N 2 1 315.417 0.615 20 30 DCEDMP C#CCNCC(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001357415096 957279053 /nfs/dbraw/zinc/27/90/53/957279053.db2.gz WANHSSWVSDLNMI-DOTOQJQBSA-N 2 1 315.417 0.615 20 30 DCEDMP C#CC[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001357838430 957390421 /nfs/dbraw/zinc/39/04/21/957390421.db2.gz YRGFRTVGPQEILY-INIZCTEOSA-N 2 1 301.390 0.092 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001316846036 960106991 /nfs/dbraw/zinc/10/69/91/960106991.db2.gz VANYPTIBFDMTIC-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001379204057 962359668 /nfs/dbraw/zinc/35/96/68/962359668.db2.gz BCDNNCUJVLUEAN-RWMBFGLXSA-N 2 1 303.834 0.536 20 30 DCEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379365020 962739097 /nfs/dbraw/zinc/73/90/97/962739097.db2.gz CQVWQXMLBAWPPN-HZPDHXFCSA-N 2 1 316.405 0.219 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379365020 962739112 /nfs/dbraw/zinc/73/91/12/962739112.db2.gz CQVWQXMLBAWPPN-HZPDHXFCSA-N 2 1 316.405 0.219 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001502670119 1016017671 /nfs/dbraw/zinc/01/76/71/1016017671.db2.gz LTQJTKXEJUSBLO-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001502670119 1016017682 /nfs/dbraw/zinc/01/76/82/1016017682.db2.gz LTQJTKXEJUSBLO-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001507283692 1016215814 /nfs/dbraw/zinc/21/58/14/1016215814.db2.gz COAILZZHMRVWMX-UONOGXRCSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001507568292 1016457363 /nfs/dbraw/zinc/45/73/63/1016457363.db2.gz QSKDGAZZEVZHOP-HZPDHXFCSA-N 2 1 303.406 0.331 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001402265510 1001154754 /nfs/dbraw/zinc/15/47/54/1001154754.db2.gz IASAJUFHAYXZCK-ZFWWWQNUSA-N 2 1 317.861 0.878 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001402265510 1001154760 /nfs/dbraw/zinc/15/47/60/1001154760.db2.gz IASAJUFHAYXZCK-ZFWWWQNUSA-N 2 1 317.861 0.878 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506040616 1016936738 /nfs/dbraw/zinc/93/67/38/1016936738.db2.gz CDUUBSDDNHELBS-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506040616 1016936751 /nfs/dbraw/zinc/93/67/51/1016936751.db2.gz CDUUBSDDNHELBS-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC001506065428 1016971781 /nfs/dbraw/zinc/97/17/81/1016971781.db2.gz OVFGEXQIFDCDBJ-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001440677873 1007950838 /nfs/dbraw/zinc/95/08/38/1007950838.db2.gz LZYQBNKAOZLGOP-STQMWFEESA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001440677873 1007950845 /nfs/dbraw/zinc/95/08/45/1007950845.db2.gz LZYQBNKAOZLGOP-STQMWFEESA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001421837916 1009150648 /nfs/dbraw/zinc/15/06/48/1009150648.db2.gz ZBHSTSPJXPVATE-CYBMUJFWSA-N 2 1 312.801 0.761 20 30 DCEDMP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001424422903 1012492765 /nfs/dbraw/zinc/49/27/65/1012492765.db2.gz UFPFRPIZKJNOOJ-DZGCQCFKSA-N 2 1 315.845 0.634 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001506574295 1017369337 /nfs/dbraw/zinc/36/93/37/1017369337.db2.gz WAMOOBMWRASCFD-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001506854600 1017617032 /nfs/dbraw/zinc/61/70/32/1017617032.db2.gz LVDPPYILQIQFRI-YESZJQIVSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001506907368 1017657144 /nfs/dbraw/zinc/65/71/44/1017657144.db2.gz RGSYEDBTYDLWCD-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001479908652 1017959755 /nfs/dbraw/zinc/95/97/55/1017959755.db2.gz PPUZYIZDUMERNO-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001479908652 1017959768 /nfs/dbraw/zinc/95/97/68/1017959768.db2.gz PPUZYIZDUMERNO-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001479908652 1017959782 /nfs/dbraw/zinc/95/97/82/1017959782.db2.gz PPUZYIZDUMERNO-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001479908652 1017959789 /nfs/dbraw/zinc/95/97/89/1017959789.db2.gz PPUZYIZDUMERNO-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497256394 1017998184 /nfs/dbraw/zinc/99/81/84/1017998184.db2.gz QOWVAPDWHZVCRQ-KKUMJFAQSA-N 2 1 324.469 0.503 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494860658 1018109992 /nfs/dbraw/zinc/10/99/92/1018109992.db2.gz AFSNAKQWCMVGEF-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494860658 1018109995 /nfs/dbraw/zinc/10/99/95/1018109995.db2.gz AFSNAKQWCMVGEF-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494863977 1018114614 /nfs/dbraw/zinc/11/46/14/1018114614.db2.gz PJAKDEWETUKQJX-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494863977 1018114623 /nfs/dbraw/zinc/11/46/23/1018114623.db2.gz PJAKDEWETUKQJX-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494863977 1018114628 /nfs/dbraw/zinc/11/46/28/1018114628.db2.gz PJAKDEWETUKQJX-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494863977 1018114638 /nfs/dbraw/zinc/11/46/38/1018114638.db2.gz PJAKDEWETUKQJX-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001500171464 1018269394 /nfs/dbraw/zinc/26/93/94/1018269394.db2.gz VNUYTOUFIFFEMB-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001500171464 1018269406 /nfs/dbraw/zinc/26/94/06/1018269406.db2.gz VNUYTOUFIFFEMB-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001500171464 1018269416 /nfs/dbraw/zinc/26/94/16/1018269416.db2.gz VNUYTOUFIFFEMB-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001480173402 1018282010 /nfs/dbraw/zinc/28/20/10/1018282010.db2.gz HXQISOZUUJVHQP-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001495109715 1018322074 /nfs/dbraw/zinc/32/20/74/1018322074.db2.gz XIUROBIGZPMTRS-OLZOCXBDSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001495109715 1018322083 /nfs/dbraw/zinc/32/20/83/1018322083.db2.gz XIUROBIGZPMTRS-OLZOCXBDSA-N 2 1 303.834 0.944 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCOCC)C1 ZINC001480255305 1018372839 /nfs/dbraw/zinc/37/28/39/1018372839.db2.gz UINKVVWXGMWIBZ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCOCC)C1 ZINC001480255305 1018372852 /nfs/dbraw/zinc/37/28/52/1018372852.db2.gz UINKVVWXGMWIBZ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCOCC)C1 ZINC001480255305 1018372864 /nfs/dbraw/zinc/37/28/64/1018372864.db2.gz UINKVVWXGMWIBZ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCOCC)C1 ZINC001480255305 1018372877 /nfs/dbraw/zinc/37/28/77/1018372877.db2.gz UINKVVWXGMWIBZ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001497829754 1018456199 /nfs/dbraw/zinc/45/61/99/1018456199.db2.gz IMUCDKUJYXWWKF-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001497829754 1018456206 /nfs/dbraw/zinc/45/62/06/1018456206.db2.gz IMUCDKUJYXWWKF-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388429 1018485164 /nfs/dbraw/zinc/48/51/64/1018485164.db2.gz XSXQUBHGJSNYOZ-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500550939 1018490485 /nfs/dbraw/zinc/49/04/85/1018490485.db2.gz SFYUOQZRGKZNEC-SJLPKXTDSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500550939 1018490494 /nfs/dbraw/zinc/49/04/94/1018490494.db2.gz SFYUOQZRGKZNEC-SJLPKXTDSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500550939 1018490501 /nfs/dbraw/zinc/49/05/01/1018490501.db2.gz SFYUOQZRGKZNEC-SJLPKXTDSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500550938 1018491726 /nfs/dbraw/zinc/49/17/26/1018491726.db2.gz SFYUOQZRGKZNEC-FUHWJXTLSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500550938 1018491732 /nfs/dbraw/zinc/49/17/32/1018491732.db2.gz SFYUOQZRGKZNEC-FUHWJXTLSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500550938 1018491739 /nfs/dbraw/zinc/49/17/39/1018491739.db2.gz SFYUOQZRGKZNEC-FUHWJXTLSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCOC)C1 ZINC001480729714 1018829741 /nfs/dbraw/zinc/82/97/41/1018829741.db2.gz GUSVAVPOVNGLSK-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCOC)C1 ZINC001480729714 1018829758 /nfs/dbraw/zinc/82/97/58/1018829758.db2.gz GUSVAVPOVNGLSK-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCOC)C1 ZINC001480729714 1018829776 /nfs/dbraw/zinc/82/97/76/1018829776.db2.gz GUSVAVPOVNGLSK-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCOC)C1 ZINC001480729714 1018829797 /nfs/dbraw/zinc/82/97/97/1018829797.db2.gz GUSVAVPOVNGLSK-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001498655381 1019304572 /nfs/dbraw/zinc/30/45/72/1019304572.db2.gz FSKKUSQZAJTQPX-ZDUSSCGKSA-N 2 1 303.834 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001498655381 1019304557 /nfs/dbraw/zinc/30/45/57/1019304557.db2.gz FSKKUSQZAJTQPX-ZDUSSCGKSA-N 2 1 303.834 0.898 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001663481659 1174306445 /nfs/dbraw/zinc/30/64/45/1174306445.db2.gz MOEPUFNPKCQDKV-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001663481659 1174306453 /nfs/dbraw/zinc/30/64/53/1174306453.db2.gz MOEPUFNPKCQDKV-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001663481659 1174306456 /nfs/dbraw/zinc/30/64/56/1174306456.db2.gz MOEPUFNPKCQDKV-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001663481659 1174306466 /nfs/dbraw/zinc/30/64/66/1174306466.db2.gz MOEPUFNPKCQDKV-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600738326 396933886 /nfs/dbraw/zinc/93/38/86/396933886.db2.gz JRYAKBLKIDYIRI-HZPDHXFCSA-N 2 1 319.405 0.344 20 30 DCEDMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)C1 ZINC000592145125 397103603 /nfs/dbraw/zinc/10/36/03/397103603.db2.gz ODSFMTULQDMVQY-CABCVRRESA-N 2 1 307.442 0.246 20 30 DCEDMP C[N@H+](CC(=O)NCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354855171 415827390 /nfs/dbraw/zinc/82/73/90/415827390.db2.gz FQZOBIUBGOJMQY-UHFFFAOYSA-N 2 1 301.394 0.870 20 30 DCEDMP CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1C[N@@H+](C)CCN1C ZINC000261747358 416335700 /nfs/dbraw/zinc/33/57/00/416335700.db2.gz BWOALSQQBKZGBK-AWEZNQCLSA-N 2 1 322.457 0.592 20 30 DCEDMP C#CCNC(NCC1([NH+]2CCCCC2)CCN(C)CC1)=[NH+]C ZINC000262771678 416337056 /nfs/dbraw/zinc/33/70/56/416337056.db2.gz HWBZMYCXTCEWFP-UHFFFAOYSA-N 2 1 305.470 0.735 20 30 DCEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1C#N ZINC000592946709 416545405 /nfs/dbraw/zinc/54/54/05/416545405.db2.gz BDVXOSLXGQYANG-GHMZBOCLSA-N 2 1 304.398 0.712 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000491674411 416614073 /nfs/dbraw/zinc/61/40/73/416614073.db2.gz XGMQNPWIEIYYPC-CVEARBPZSA-N 2 1 322.453 0.479 20 30 DCEDMP C=CC[C@]1(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCC[NH2+]1 ZINC000662717555 417868717 /nfs/dbraw/zinc/86/87/17/417868717.db2.gz PCIWWGPSQZYWSV-YQQAZPJKSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CC[C@@]1(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCC[NH2+]1 ZINC000662728697 417876272 /nfs/dbraw/zinc/87/62/72/417876272.db2.gz VQPPWCSGDFMGLH-KRWDZBQOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000516315637 338009583 /nfs/dbraw/zinc/00/95/83/338009583.db2.gz QHKLHHCYJGXTHL-HOCLYGCPSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000516315637 338009584 /nfs/dbraw/zinc/00/95/84/338009584.db2.gz QHKLHHCYJGXTHL-HOCLYGCPSA-N 2 1 301.390 0.995 20 30 DCEDMP COc1ccccc1CNC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000187855632 534076257 /nfs/dbraw/zinc/07/62/57/534076257.db2.gz UYYGEHOXKUTWKJ-UHFFFAOYSA-N 2 1 306.410 0.822 20 30 DCEDMP COc1ccccc1CNC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000187855632 534076265 /nfs/dbraw/zinc/07/62/65/534076265.db2.gz UYYGEHOXKUTWKJ-UHFFFAOYSA-N 2 1 306.410 0.822 20 30 DCEDMP C[NH+]=C(NCc1cccn1C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262763454 526385549 /nfs/dbraw/zinc/38/55/49/526385549.db2.gz FEACTAKIVATXDQ-HNNXBMFYSA-N 2 1 319.453 0.755 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](CC)CCC)CC1 ZINC000360172426 526417250 /nfs/dbraw/zinc/41/72/50/526417250.db2.gz SOTXUXSZMOYGCJ-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=C(C)CNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264077698 526575643 /nfs/dbraw/zinc/57/56/43/526575643.db2.gz HSULENSAOQKJCG-UHFFFAOYSA-N 2 1 317.441 0.469 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000377370983 526925845 /nfs/dbraw/zinc/92/58/45/526925845.db2.gz BBAJHBZUWMDSLA-CVEARBPZSA-N 2 1 305.422 0.311 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CCN(C(=O)CC)C1 ZINC000261980200 528809437 /nfs/dbraw/zinc/80/94/37/528809437.db2.gz OSKWWNZUOOXIKO-KBPBESRZSA-N 2 1 309.458 0.504 20 30 DCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)CC1 ZINC000271719328 528950899 /nfs/dbraw/zinc/95/08/99/528950899.db2.gz CWBMXSYWRJFDMI-UHFFFAOYSA-N 2 1 323.441 0.774 20 30 DCEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000104174472 660461201 /nfs/dbraw/zinc/46/12/01/660461201.db2.gz UIPGPHDQNMERCI-OAHLLOKOSA-N 3 1 311.474 0.345 20 30 DCEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981209007 661101611 /nfs/dbraw/zinc/10/16/11/661101611.db2.gz DLFLWHMJOJXPCO-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209007 661101614 /nfs/dbraw/zinc/10/16/14/661101614.db2.gz DLFLWHMJOJXPCO-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209007 661101616 /nfs/dbraw/zinc/10/16/16/661101616.db2.gz DLFLWHMJOJXPCO-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645812 661189595 /nfs/dbraw/zinc/18/95/95/661189595.db2.gz FENGBQXLDHDOGB-CKDBGZEDSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645812 661189596 /nfs/dbraw/zinc/18/95/96/661189596.db2.gz FENGBQXLDHDOGB-CKDBGZEDSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645812 661189599 /nfs/dbraw/zinc/18/95/99/661189599.db2.gz FENGBQXLDHDOGB-CKDBGZEDSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645812 661189600 /nfs/dbraw/zinc/18/96/00/661189600.db2.gz FENGBQXLDHDOGB-CKDBGZEDSA-N 2 1 303.406 0.017 20 30 DCEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000981688882 661195496 /nfs/dbraw/zinc/19/54/96/661195496.db2.gz GVVPHNGHDMYRRK-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981688882 661195499 /nfs/dbraw/zinc/19/54/99/661195499.db2.gz GVVPHNGHDMYRRK-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981688882 661195502 /nfs/dbraw/zinc/19/55/02/661195502.db2.gz GVVPHNGHDMYRRK-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981688882 661195505 /nfs/dbraw/zinc/19/55/05/661195505.db2.gz GVVPHNGHDMYRRK-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001022220766 657566017 /nfs/dbraw/zinc/56/60/17/657566017.db2.gz OAPRFSJWNROXOR-BBWFWOEESA-N 2 1 312.417 0.916 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001022220766 657566023 /nfs/dbraw/zinc/56/60/23/657566023.db2.gz OAPRFSJWNROXOR-BBWFWOEESA-N 2 1 312.417 0.916 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001022221171 657567625 /nfs/dbraw/zinc/56/76/25/657567625.db2.gz ZGYLESYMEQOKGQ-BBWFWOEESA-N 2 1 312.417 0.916 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001022221171 657567626 /nfs/dbraw/zinc/56/76/26/657567626.db2.gz ZGYLESYMEQOKGQ-BBWFWOEESA-N 2 1 312.417 0.916 20 30 DCEDMP C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295637 658531511 /nfs/dbraw/zinc/53/15/11/658531511.db2.gz WISJNQHWUKRIQN-WBVHZDCISA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972295637 658531518 /nfs/dbraw/zinc/53/15/18/658531518.db2.gz WISJNQHWUKRIQN-WBVHZDCISA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295637 658531524 /nfs/dbraw/zinc/53/15/24/658531524.db2.gz WISJNQHWUKRIQN-WBVHZDCISA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972295637 658531535 /nfs/dbraw/zinc/53/15/35/658531535.db2.gz WISJNQHWUKRIQN-WBVHZDCISA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007493993 659134618 /nfs/dbraw/zinc/13/46/18/659134618.db2.gz WOPFFGKPFCVMNG-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007493993 659134622 /nfs/dbraw/zinc/13/46/22/659134622.db2.gz WOPFFGKPFCVMNG-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007493993 659134629 /nfs/dbraw/zinc/13/46/29/659134629.db2.gz WOPFFGKPFCVMNG-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007493993 659134632 /nfs/dbraw/zinc/13/46/32/659134632.db2.gz WOPFFGKPFCVMNG-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798623 659564884 /nfs/dbraw/zinc/56/48/84/659564884.db2.gz ATDLJUXFLGAFNF-LJIZCISZSA-N 2 1 305.422 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798623 659564890 /nfs/dbraw/zinc/56/48/90/659564890.db2.gz ATDLJUXFLGAFNF-LJIZCISZSA-N 2 1 305.422 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798623 659564894 /nfs/dbraw/zinc/56/48/94/659564894.db2.gz ATDLJUXFLGAFNF-LJIZCISZSA-N 2 1 305.422 0.472 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001020236187 659680349 /nfs/dbraw/zinc/68/03/49/659680349.db2.gz UBNZKAGKZCKXSJ-DZKIICNBSA-N 2 1 305.422 0.500 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850474 659694644 /nfs/dbraw/zinc/69/46/44/659694644.db2.gz HZIPCVATTRDYJB-QRHJNKNDSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850474 659694647 /nfs/dbraw/zinc/69/46/47/659694647.db2.gz HZIPCVATTRDYJB-QRHJNKNDSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850474 659694650 /nfs/dbraw/zinc/69/46/50/659694650.db2.gz HZIPCVATTRDYJB-QRHJNKNDSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850474 659694653 /nfs/dbraw/zinc/69/46/53/659694653.db2.gz HZIPCVATTRDYJB-QRHJNKNDSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977614343 659786126 /nfs/dbraw/zinc/78/61/26/659786126.db2.gz KCDBWYPBFXURAQ-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977614343 659786128 /nfs/dbraw/zinc/78/61/28/659786128.db2.gz KCDBWYPBFXURAQ-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614343 659786134 /nfs/dbraw/zinc/78/61/34/659786134.db2.gz KCDBWYPBFXURAQ-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614343 659786137 /nfs/dbraw/zinc/78/61/37/659786137.db2.gz KCDBWYPBFXURAQ-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699333 661766723 /nfs/dbraw/zinc/76/67/23/661766723.db2.gz XTHJCCFCBMQZGP-GJEMEMOUSA-N 2 1 305.422 0.474 20 30 DCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028699333 661766725 /nfs/dbraw/zinc/76/67/25/661766725.db2.gz XTHJCCFCBMQZGP-GJEMEMOUSA-N 2 1 305.422 0.474 20 30 DCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028699333 661766729 /nfs/dbraw/zinc/76/67/29/661766729.db2.gz XTHJCCFCBMQZGP-GJEMEMOUSA-N 2 1 305.422 0.474 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001028804512 661832677 /nfs/dbraw/zinc/83/26/77/661832677.db2.gz AGRQRWMXLCPDTN-CQSZACIVSA-N 2 1 316.405 0.955 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001028804512 661832680 /nfs/dbraw/zinc/83/26/80/661832680.db2.gz AGRQRWMXLCPDTN-CQSZACIVSA-N 2 1 316.405 0.955 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001029002875 661929992 /nfs/dbraw/zinc/92/99/92/661929992.db2.gz CWKIAJWPCGSPMF-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000303268246 662445855 /nfs/dbraw/zinc/44/58/55/662445855.db2.gz YOGFYEPEAOGCCC-OAHLLOKOSA-N 2 1 311.474 0.487 20 30 DCEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262782824 662579709 /nfs/dbraw/zinc/57/97/09/662579709.db2.gz LNPKXCQCCQSNSL-CYBMUJFWSA-N 2 1 304.442 0.939 20 30 DCEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262782824 662579711 /nfs/dbraw/zinc/57/97/11/662579711.db2.gz LNPKXCQCCQSNSL-CYBMUJFWSA-N 2 1 304.442 0.939 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000900696470 663269691 /nfs/dbraw/zinc/26/96/91/663269691.db2.gz SVFYQJTXTOYQJB-OAHLLOKOSA-N 2 1 310.486 0.884 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001672004039 1157406056 /nfs/dbraw/zinc/40/60/56/1157406056.db2.gz RLHFBZKMDNYWOH-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001672004039 1157406059 /nfs/dbraw/zinc/40/60/59/1157406059.db2.gz RLHFBZKMDNYWOH-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCN(C(=O)N[C@H]1CC[N@H+](CCOC)C1)C1CC[NH+](C)CC1 ZINC000919633684 665224679 /nfs/dbraw/zinc/22/46/79/665224679.db2.gz CHBIHOLIHXHGRP-HNNXBMFYSA-N 2 1 322.453 0.446 20 30 DCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679338 665285213 /nfs/dbraw/zinc/28/52/13/665285213.db2.gz SUXUJSQECJHAAL-SJORKVTESA-N 2 1 319.449 0.415 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000941438069 665998678 /nfs/dbraw/zinc/99/86/78/665998678.db2.gz IWTKQSCAAAPYLW-UHFFFAOYSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000941438069 665998679 /nfs/dbraw/zinc/99/86/79/665998679.db2.gz IWTKQSCAAAPYLW-UHFFFAOYSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567023 666023585 /nfs/dbraw/zinc/02/35/85/666023585.db2.gz OSRCJRDMQPHGLY-MRXNPFEDSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567023 666023586 /nfs/dbraw/zinc/02/35/86/666023586.db2.gz OSRCJRDMQPHGLY-MRXNPFEDSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)COC)CC1 ZINC001001492533 666060841 /nfs/dbraw/zinc/06/08/41/666060841.db2.gz SBGXBSSFLHUVDA-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)COC)CC1 ZINC001001492533 666060843 /nfs/dbraw/zinc/06/08/43/666060843.db2.gz SBGXBSSFLHUVDA-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647178 666082107 /nfs/dbraw/zinc/08/21/07/666082107.db2.gz TZWAXXVZBQOUTI-UPTPFMHGSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)C[C@@H]2C)CC1 ZINC000945185364 666578413 /nfs/dbraw/zinc/57/84/13/666578413.db2.gz ZXAYZSDQFWSAOG-RDJZCZTQSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001034537996 667064005 /nfs/dbraw/zinc/06/40/05/667064005.db2.gz GWLBSTHZEOFZTP-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CN1CCOCC1 ZINC001032475645 667298713 /nfs/dbraw/zinc/29/87/13/667298713.db2.gz BOCCHNWPKLLBSH-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035477587 667353380 /nfs/dbraw/zinc/35/33/80/667353380.db2.gz IIBDCYGUNYMRLY-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001035477587 667353383 /nfs/dbraw/zinc/35/33/83/667353383.db2.gz IIBDCYGUNYMRLY-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035477587 667353386 /nfs/dbraw/zinc/35/33/86/667353386.db2.gz IIBDCYGUNYMRLY-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035477587 667353389 /nfs/dbraw/zinc/35/33/89/667353389.db2.gz IIBDCYGUNYMRLY-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC001035713222 667403096 /nfs/dbraw/zinc/40/30/96/667403096.db2.gz OYUADGOAHHMBJN-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884198817 667496613 /nfs/dbraw/zinc/49/66/13/667496613.db2.gz HUHSFUCDWUKQEV-UJEKJILKSA-N 2 1 304.438 0.972 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CC#C)C2)CC1 ZINC000924037192 668187257 /nfs/dbraw/zinc/18/72/57/668187257.db2.gz RCUSJIMXZNPXEE-MRXNPFEDSA-N 2 1 302.422 0.481 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)CC1 ZINC000924037192 668187261 /nfs/dbraw/zinc/18/72/61/668187261.db2.gz RCUSJIMXZNPXEE-MRXNPFEDSA-N 2 1 302.422 0.481 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000763073415 668396320 /nfs/dbraw/zinc/39/63/20/668396320.db2.gz YBPVGVPITKDPDF-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000763073415 668396322 /nfs/dbraw/zinc/39/63/22/668396322.db2.gz YBPVGVPITKDPDF-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC[C@@H]1CO ZINC000763073415 668396325 /nfs/dbraw/zinc/39/63/25/668396325.db2.gz YBPVGVPITKDPDF-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC[C@@H]1CO ZINC000763073415 668396326 /nfs/dbraw/zinc/39/63/26/668396326.db2.gz YBPVGVPITKDPDF-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000876709547 668492042 /nfs/dbraw/zinc/49/20/42/668492042.db2.gz USIXBWPSIMFTPG-QWHCGFSZSA-N 2 1 301.818 0.780 20 30 DCEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482478 669210154 /nfs/dbraw/zinc/21/01/54/669210154.db2.gz VCOGADICFOGOHK-ZDUSSCGKSA-N 2 1 308.426 0.326 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842494 670214612 /nfs/dbraw/zinc/21/46/12/670214612.db2.gz QBZUPBODKWADKL-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842494 670214614 /nfs/dbraw/zinc/21/46/14/670214614.db2.gz QBZUPBODKWADKL-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380579 670328130 /nfs/dbraw/zinc/32/81/30/670328130.db2.gz JFEWEPSKCGLWGA-CKDBGZEDSA-N 2 1 305.422 0.570 20 30 DCEDMP CC(C)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000852857000 671175525 /nfs/dbraw/zinc/17/55/25/671175525.db2.gz IKLZDHIPRWHCSI-MRXNPFEDSA-N 2 1 307.438 0.462 20 30 DCEDMP COCC(C)(C)[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852892518 671188486 /nfs/dbraw/zinc/18/84/86/671188486.db2.gz HMYBPFZTECEWOH-UHFFFAOYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000827114347 671515276 /nfs/dbraw/zinc/51/52/76/671515276.db2.gz JPUXOOGZUIXZFS-IYBDPMFKSA-N 2 1 324.469 0.692 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000827114347 671515278 /nfs/dbraw/zinc/51/52/78/671515278.db2.gz JPUXOOGZUIXZFS-IYBDPMFKSA-N 2 1 324.469 0.692 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000827114347 671515279 /nfs/dbraw/zinc/51/52/79/671515279.db2.gz JPUXOOGZUIXZFS-IYBDPMFKSA-N 2 1 324.469 0.692 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@H]1CCCO1 ZINC000303769878 685206126 /nfs/dbraw/zinc/20/61/26/685206126.db2.gz BHLKPNFACCEYFW-LSDHHAIUSA-N 2 1 312.458 0.961 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1Cc2ccccc2O1 ZINC000303902339 685208544 /nfs/dbraw/zinc/20/85/44/685208544.db2.gz TVWVLKKQVIOHAP-HNNXBMFYSA-N 2 1 318.421 0.617 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NC1CCCCC1 ZINC000303986933 685209116 /nfs/dbraw/zinc/20/91/16/685209116.db2.gz UZENTTKOEQSTMJ-AWEZNQCLSA-N 2 1 309.458 0.824 20 30 DCEDMP C[C@H]1CCCN(C(=[NH2+])NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000303979173 685209571 /nfs/dbraw/zinc/20/95/71/685209571.db2.gz MUEYEPMZAXIRLA-GJZGRUSLSA-N 2 1 323.485 0.976 20 30 DCEDMP [NH2+]=C(NCCC[C@H]1CCCCO1)NCCC[NH+]1CCOCC1 ZINC000305835941 685217295 /nfs/dbraw/zinc/21/72/95/685217295.db2.gz WTJMTXWPZIJOQT-OAHLLOKOSA-N 2 1 312.458 0.962 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000957527612 687076504 /nfs/dbraw/zinc/07/65/04/687076504.db2.gz RCGBIIJNNSACQV-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000957527612 687076509 /nfs/dbraw/zinc/07/65/09/687076509.db2.gz RCGBIIJNNSACQV-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958176443 687407775 /nfs/dbraw/zinc/40/77/75/687407775.db2.gz SYZJUAXLZBEQDW-HOTGVXAUSA-N 2 1 321.465 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)O)C2 ZINC000963960531 689113219 /nfs/dbraw/zinc/11/32/19/689113219.db2.gz DVSOGYAVWYCUEE-UICTUYQUSA-N 2 1 319.449 0.482 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)O)C2 ZINC000963960531 689113222 /nfs/dbraw/zinc/11/32/22/689113222.db2.gz DVSOGYAVWYCUEE-UICTUYQUSA-N 2 1 319.449 0.482 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)COC)CC1 ZINC001039042256 694283796 /nfs/dbraw/zinc/28/37/96/694283796.db2.gz OKAAQDPVPFOPSZ-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCO ZINC000968894032 690416332 /nfs/dbraw/zinc/41/63/32/690416332.db2.gz YLGYORVBDQPQEE-IRXDYDNUSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015324180 692264537 /nfs/dbraw/zinc/26/45/37/692264537.db2.gz MQDVYNYCWACMQN-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015324180 692264540 /nfs/dbraw/zinc/26/45/40/692264540.db2.gz MQDVYNYCWACMQN-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015324180 692264542 /nfs/dbraw/zinc/26/45/42/692264542.db2.gz MQDVYNYCWACMQN-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016687089 692747417 /nfs/dbraw/zinc/74/74/17/692747417.db2.gz CNQDOWCGMRMMBR-BZUAXINKSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016687089 692747419 /nfs/dbraw/zinc/74/74/19/692747419.db2.gz CNQDOWCGMRMMBR-BZUAXINKSA-N 2 1 319.449 0.700 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020179177 693724455 /nfs/dbraw/zinc/72/44/55/693724455.db2.gz RAIVTHTYOWBEEX-XDQVBPFNSA-N 2 1 313.829 0.839 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001073627095 694755088 /nfs/dbraw/zinc/75/50/88/694755088.db2.gz CFFUQOASVXVXQW-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627095 694755089 /nfs/dbraw/zinc/75/50/89/694755089.db2.gz CFFUQOASVXVXQW-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627095 694755090 /nfs/dbraw/zinc/75/50/90/694755090.db2.gz CFFUQOASVXVXQW-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627095 694755092 /nfs/dbraw/zinc/75/50/92/694755092.db2.gz CFFUQOASVXVXQW-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073896741 694797846 /nfs/dbraw/zinc/79/78/46/694797846.db2.gz ZVARRDMYXQWJEQ-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896741 694797848 /nfs/dbraw/zinc/79/78/48/694797848.db2.gz ZVARRDMYXQWJEQ-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896741 694797850 /nfs/dbraw/zinc/79/78/50/694797850.db2.gz ZVARRDMYXQWJEQ-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896741 694797851 /nfs/dbraw/zinc/79/78/51/694797851.db2.gz ZVARRDMYXQWJEQ-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073896739 694797949 /nfs/dbraw/zinc/79/79/49/694797949.db2.gz ZVARRDMYXQWJEQ-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896739 694797951 /nfs/dbraw/zinc/79/79/51/694797951.db2.gz ZVARRDMYXQWJEQ-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896739 694797954 /nfs/dbraw/zinc/79/79/54/694797954.db2.gz ZVARRDMYXQWJEQ-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896739 694797955 /nfs/dbraw/zinc/79/79/55/694797955.db2.gz ZVARRDMYXQWJEQ-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCCOC)C1 ZINC001570843157 1162631601 /nfs/dbraw/zinc/63/16/01/1162631601.db2.gz CRQJWLCLSUYAIP-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCCOC)C1 ZINC001570843157 1162631605 /nfs/dbraw/zinc/63/16/05/1162631605.db2.gz CRQJWLCLSUYAIP-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001571001485 1162665660 /nfs/dbraw/zinc/66/56/60/1162665660.db2.gz JSBXKVLOCFTUPZ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001571117620 1162674959 /nfs/dbraw/zinc/67/49/59/1162674959.db2.gz GNWVQWKWHCYNKT-ULQDDVLXSA-N 2 1 321.465 0.993 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001672004039 1157406052 /nfs/dbraw/zinc/40/60/52/1157406052.db2.gz RLHFBZKMDNYWOH-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001266619399 1157487812 /nfs/dbraw/zinc/48/78/12/1157487812.db2.gz LJOWGLNKKLQENB-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001481279088 1157946666 /nfs/dbraw/zinc/94/66/66/1157946666.db2.gz FGRSFMFNYOCOPT-HNNXBMFYSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001691655087 1158668835 /nfs/dbraw/zinc/66/88/35/1158668835.db2.gz KEZBWCGPMWXYBP-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001691655087 1158668837 /nfs/dbraw/zinc/66/88/37/1158668837.db2.gz KEZBWCGPMWXYBP-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#CCOC)[C@@H]1CC)[NH+](C)C ZINC001566025059 1159943996 /nfs/dbraw/zinc/94/39/96/1159943996.db2.gz DCKGLNIJKIJWRN-ARFHVFGLSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001566604087 1160091362 /nfs/dbraw/zinc/09/13/62/1160091362.db2.gz NYEMWTXVOGCFHP-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001566604087 1160091373 /nfs/dbraw/zinc/09/13/73/1160091373.db2.gz NYEMWTXVOGCFHP-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CC1 ZINC001566604087 1160091380 /nfs/dbraw/zinc/09/13/80/1160091380.db2.gz NYEMWTXVOGCFHP-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CC1 ZINC001566604087 1160091389 /nfs/dbraw/zinc/09/13/89/1160091389.db2.gz NYEMWTXVOGCFHP-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001566640395 1160107392 /nfs/dbraw/zinc/10/73/92/1160107392.db2.gz CQCRPUQKQKGRPA-OAHLLOKOSA-N 2 1 307.442 0.118 20 30 DCEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001566640395 1160107396 /nfs/dbraw/zinc/10/73/96/1160107396.db2.gz CQCRPUQKQKGRPA-OAHLLOKOSA-N 2 1 307.442 0.118 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001566653703 1160114496 /nfs/dbraw/zinc/11/44/96/1160114496.db2.gz WIYONBYFVDEQJY-UHFFFAOYSA-N 2 1 308.470 0.475 20 30 DCEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001567200212 1160271973 /nfs/dbraw/zinc/27/19/73/1160271973.db2.gz SNWFFNOGYSGBLQ-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001567200212 1160271979 /nfs/dbraw/zinc/27/19/79/1160271979.db2.gz SNWFFNOGYSGBLQ-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567409418 1160354296 /nfs/dbraw/zinc/35/42/96/1160354296.db2.gz HIGOMNWISPUGQB-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567409418 1160354302 /nfs/dbraw/zinc/35/43/02/1160354302.db2.gz HIGOMNWISPUGQB-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567409418 1160354309 /nfs/dbraw/zinc/35/43/09/1160354309.db2.gz HIGOMNWISPUGQB-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001567739525 1160469151 /nfs/dbraw/zinc/46/91/51/1160469151.db2.gz ZZSBPMYTNOATEE-HOTGVXAUSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001569567564 1161150597 /nfs/dbraw/zinc/15/05/97/1161150597.db2.gz YVFSMZUJJHVSDA-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCO)C1CCCC1 ZINC001569603816 1161163160 /nfs/dbraw/zinc/16/31/60/1161163160.db2.gz GCLNGLLPOGIRTM-HOTGVXAUSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCO)C1CCCC1 ZINC001569603816 1161163165 /nfs/dbraw/zinc/16/31/65/1161163165.db2.gz GCLNGLLPOGIRTM-HOTGVXAUSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCOCC1 ZINC001569729713 1161209857 /nfs/dbraw/zinc/20/98/57/1161209857.db2.gz DBCYRTYHIXQCOH-JKSUJKDBSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569774248 1161241750 /nfs/dbraw/zinc/24/17/50/1161241750.db2.gz GORWGWIYOJDQTC-HNNXBMFYSA-N 2 1 307.438 0.457 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001569820921 1161275576 /nfs/dbraw/zinc/27/55/76/1161275576.db2.gz MJMNOEXFXUPESL-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001570154925 1161451303 /nfs/dbraw/zinc/45/13/03/1161451303.db2.gz AGKJYJSNBFPOPY-INIZCTEOSA-N 2 1 318.421 0.812 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)Nc1nccc([C@H]2CC[NH2+]C2)n1 ZINC001574604326 1163734991 /nfs/dbraw/zinc/73/49/91/1163734991.db2.gz LWFMETKSPJUESU-ZDUSSCGKSA-N 2 1 316.409 0.630 20 30 DCEDMP N#Cc1ccc(N2CC[C@H]([NH+]3CCC(O)(C[NH3+])CC3)C2=O)cc1 ZINC001580067511 1165490873 /nfs/dbraw/zinc/49/08/73/1165490873.db2.gz VTKHRJSZUGQWHE-HNNXBMFYSA-N 2 1 314.389 0.449 20 30 DCEDMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C2 ZINC001646009542 1172214193 /nfs/dbraw/zinc/21/41/93/1172214193.db2.gz CJAFHTSNLBFCAO-UONOGXRCSA-N 2 1 320.437 0.932 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001660924943 1174069912 /nfs/dbraw/zinc/06/99/12/1174069912.db2.gz AJGBVOZLWVSEIP-DLBZAZTESA-N 2 1 320.481 0.474 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001661482358 1174129984 /nfs/dbraw/zinc/12/99/84/1174129984.db2.gz JRXBHTNIAUUZGN-QAETUUGQSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001661895397 1174168817 /nfs/dbraw/zinc/16/88/17/1174168817.db2.gz DZMWDXAOUMQZRN-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[C@H]1CCOC1 ZINC001663201071 1174273960 /nfs/dbraw/zinc/27/39/60/1174273960.db2.gz KKOVFUQMGSXAHE-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC[C@H]1CCOC1 ZINC001663201071 1174273955 /nfs/dbraw/zinc/27/39/55/1174273955.db2.gz KKOVFUQMGSXAHE-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC[C@H]1CCOC1 ZINC001663201071 1174273957 /nfs/dbraw/zinc/27/39/57/1174273957.db2.gz KKOVFUQMGSXAHE-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[C@H]1CCOC1 ZINC001663201071 1174273964 /nfs/dbraw/zinc/27/39/64/1174273964.db2.gz KKOVFUQMGSXAHE-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001663753944 1174347940 /nfs/dbraw/zinc/34/79/40/1174347940.db2.gz QZDQDWXYQZNSCF-UHFFFAOYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001664786278 1174459697 /nfs/dbraw/zinc/45/96/97/1174459697.db2.gz WUVKBGWPSRHBLZ-QGZVFWFLSA-N 2 1 322.497 0.980 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001670204547 1174992015 /nfs/dbraw/zinc/99/20/15/1174992015.db2.gz KKKNGSBJHRAPQA-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC#C)CC1 ZINC001671492387 1175016447 /nfs/dbraw/zinc/01/64/47/1175016447.db2.gz YBDKYTUALKYEIL-INIZCTEOSA-N 2 1 301.434 0.888 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001673704950 1175227014 /nfs/dbraw/zinc/22/70/14/1175227014.db2.gz SLILDPYXCFLNEW-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001674339978 1175270680 /nfs/dbraw/zinc/27/06/80/1175270680.db2.gz ZQCASIPYGNHLKQ-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001674339978 1175270682 /nfs/dbraw/zinc/27/06/82/1175270682.db2.gz ZQCASIPYGNHLKQ-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001674339978 1175270685 /nfs/dbraw/zinc/27/06/85/1175270685.db2.gz ZQCASIPYGNHLKQ-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001674339978 1175270689 /nfs/dbraw/zinc/27/06/89/1175270689.db2.gz ZQCASIPYGNHLKQ-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCn1cccn1 ZINC001674942660 1175309321 /nfs/dbraw/zinc/30/93/21/1175309321.db2.gz DPEFLOSLVWHRNP-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCn1cccn1 ZINC001674942660 1175309329 /nfs/dbraw/zinc/30/93/29/1175309329.db2.gz DPEFLOSLVWHRNP-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCn1cccn1 ZINC001674942660 1175309337 /nfs/dbraw/zinc/30/93/37/1175309337.db2.gz DPEFLOSLVWHRNP-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCn1cccn1 ZINC001674942660 1175309343 /nfs/dbraw/zinc/30/93/43/1175309343.db2.gz DPEFLOSLVWHRNP-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C=CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001674925892 1175309622 /nfs/dbraw/zinc/30/96/22/1175309622.db2.gz REKGTSQHZJUBOA-GOEBONIOSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCN1CC(CCO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001675115413 1175330848 /nfs/dbraw/zinc/33/08/48/1175330848.db2.gz PRZDLXCYLDWTDD-GASCZTMLSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001675543878 1175371150 /nfs/dbraw/zinc/37/11/50/1175371150.db2.gz DKYOWGLRUKBVPP-LUKYLMHMSA-N 2 1 319.449 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001675543878 1175371153 /nfs/dbraw/zinc/37/11/53/1175371153.db2.gz DKYOWGLRUKBVPP-LUKYLMHMSA-N 2 1 319.449 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001675543878 1175371157 /nfs/dbraw/zinc/37/11/57/1175371157.db2.gz DKYOWGLRUKBVPP-LUKYLMHMSA-N 2 1 319.449 0.272 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC#CC)C1CC1 ZINC001676222774 1175430528 /nfs/dbraw/zinc/43/05/28/1175430528.db2.gz ZBXHQVMSQZJOEU-IRXDYDNUSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC#CC)C1CC1 ZINC001676222774 1175430530 /nfs/dbraw/zinc/43/05/30/1175430530.db2.gz ZBXHQVMSQZJOEU-IRXDYDNUSA-N 2 1 301.434 0.934 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001677004321 1175512920 /nfs/dbraw/zinc/51/29/20/1175512920.db2.gz SMBNQOTYNHPMRA-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001677178706 1175543684 /nfs/dbraw/zinc/54/36/84/1175543684.db2.gz JTUXLHZNNZWNCU-CYBMUJFWSA-N 2 1 306.410 0.462 20 30 DCEDMP CC#CCN(C)C[C@@H](O)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001677178706 1175543686 /nfs/dbraw/zinc/54/36/86/1175543686.db2.gz JTUXLHZNNZWNCU-CYBMUJFWSA-N 2 1 306.410 0.462 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001677439205 1175564641 /nfs/dbraw/zinc/56/46/41/1175564641.db2.gz OXAXABJTQJZHSK-WLYUNCDWSA-N 2 1 322.453 0.045 20 30 DCEDMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC#CC[NH+](C)C ZINC001685831832 1176043686 /nfs/dbraw/zinc/04/36/86/1176043686.db2.gz DQZIWQJRIRWULW-HNNXBMFYSA-N 2 1 322.453 0.446 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690091748 1177169599 /nfs/dbraw/zinc/16/95/99/1177169599.db2.gz FVDCKYDLDJOONO-CVEARBPZSA-N 2 1 305.422 0.169 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690091748 1177169601 /nfs/dbraw/zinc/16/96/01/1177169601.db2.gz FVDCKYDLDJOONO-CVEARBPZSA-N 2 1 305.422 0.169 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001690376937 1177227327 /nfs/dbraw/zinc/22/73/27/1177227327.db2.gz RDUDKPVJZJCFRM-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001690376937 1177227329 /nfs/dbraw/zinc/22/73/29/1177227329.db2.gz RDUDKPVJZJCFRM-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001690376937 1177227333 /nfs/dbraw/zinc/22/73/33/1177227333.db2.gz RDUDKPVJZJCFRM-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001690822666 1177333945 /nfs/dbraw/zinc/33/39/45/1177333945.db2.gz KOHYRIKQCUYJJG-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001690822666 1177333949 /nfs/dbraw/zinc/33/39/49/1177333949.db2.gz KOHYRIKQCUYJJG-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001690822666 1177333957 /nfs/dbraw/zinc/33/39/57/1177333957.db2.gz KOHYRIKQCUYJJG-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001691937297 1177387212 /nfs/dbraw/zinc/38/72/12/1177387212.db2.gz LNJFIOKYJUOMJB-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001691937297 1177387216 /nfs/dbraw/zinc/38/72/16/1177387216.db2.gz LNJFIOKYJUOMJB-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692237194 1177455084 /nfs/dbraw/zinc/45/50/84/1177455084.db2.gz CFMSCMSNTBJHRH-INIZCTEOSA-N 2 1 318.421 0.500 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692237194 1177455089 /nfs/dbraw/zinc/45/50/89/1177455089.db2.gz CFMSCMSNTBJHRH-INIZCTEOSA-N 2 1 318.421 0.500 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001698570410 1177564590 /nfs/dbraw/zinc/56/45/90/1177564590.db2.gz UJKNRYDQQMLZBC-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001698570410 1177564594 /nfs/dbraw/zinc/56/45/94/1177564594.db2.gz UJKNRYDQQMLZBC-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001699025558 1177777617 /nfs/dbraw/zinc/77/76/17/1177777617.db2.gz ACCJYKFEOSWRGK-HOTGVXAUSA-N 2 1 318.421 0.716 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001699650747 1178239791 /nfs/dbraw/zinc/23/97/91/1178239791.db2.gz FCRMAPZQMHQRKE-BFHYXJOUSA-N 2 1 322.453 0.256 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001699995149 1178414173 /nfs/dbraw/zinc/41/41/73/1178414173.db2.gz KTJVVNILTDGBFE-MRXNPFEDSA-N 2 1 320.481 0.522 20 30 DCEDMP C=CCOCC[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001700546232 1178653638 /nfs/dbraw/zinc/65/36/38/1178653638.db2.gz OSWVQCFONVQJQG-CABCVRRESA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001700578074 1178665625 /nfs/dbraw/zinc/66/56/25/1178665625.db2.gz KAHYNCUJXSVDDD-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001700578074 1178665627 /nfs/dbraw/zinc/66/56/27/1178665627.db2.gz KAHYNCUJXSVDDD-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001700578074 1178665631 /nfs/dbraw/zinc/66/56/31/1178665631.db2.gz KAHYNCUJXSVDDD-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001700578074 1178665633 /nfs/dbraw/zinc/66/56/33/1178665633.db2.gz KAHYNCUJXSVDDD-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001700577447 1178665814 /nfs/dbraw/zinc/66/58/14/1178665814.db2.gz YASHNOMOLJJBLX-OAHLLOKOSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001700732076 1178724537 /nfs/dbraw/zinc/72/45/37/1178724537.db2.gz CYOFMZVUNFVYLO-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CCOCCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001701038953 1178896546 /nfs/dbraw/zinc/89/65/46/1178896546.db2.gz BVZFWJMNKYFTJD-KRWDZBQOSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)CN1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001713793547 1181067926 /nfs/dbraw/zinc/06/79/26/1181067926.db2.gz NELAAQIVXLYNJZ-CQSZACIVSA-N 2 1 319.409 0.074 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001714014353 1181201992 /nfs/dbraw/zinc/20/19/92/1181201992.db2.gz UZSGPIPKXAVQEA-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001714014353 1181201998 /nfs/dbraw/zinc/20/19/98/1181201998.db2.gz UZSGPIPKXAVQEA-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714043854 1181221863 /nfs/dbraw/zinc/22/18/63/1181221863.db2.gz CPZMRQSDBKJGPT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001714557041 1181414509 /nfs/dbraw/zinc/41/45/09/1181414509.db2.gz DCOLMVIIWBCOEN-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001714557041 1181414514 /nfs/dbraw/zinc/41/45/14/1181414514.db2.gz DCOLMVIIWBCOEN-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001714884379 1181585861 /nfs/dbraw/zinc/58/58/61/1181585861.db2.gz YTJCUACTYVWFTF-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001715121690 1181695070 /nfs/dbraw/zinc/69/50/70/1181695070.db2.gz AXBFZKPDBZHLIQ-NVXWUHKLSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001715121690 1181695075 /nfs/dbraw/zinc/69/50/75/1181695075.db2.gz AXBFZKPDBZHLIQ-NVXWUHKLSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C[C@@H](C)O)CC1 ZINC001715201576 1181714882 /nfs/dbraw/zinc/71/48/82/1181714882.db2.gz HIJUOZQPOHIDCZ-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C[C@@H](C)O)CC1 ZINC001715201576 1181714890 /nfs/dbraw/zinc/71/48/90/1181714890.db2.gz HIJUOZQPOHIDCZ-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCC(C)(C)C ZINC001715586088 1181875997 /nfs/dbraw/zinc/87/59/97/1181875997.db2.gz MWATZDVOFKTAJM-CVEARBPZSA-N 2 1 323.481 0.977 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCC(C)(C)C ZINC001715586088 1181876003 /nfs/dbraw/zinc/87/60/03/1181876003.db2.gz MWATZDVOFKTAJM-CVEARBPZSA-N 2 1 323.481 0.977 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001715600892 1181887930 /nfs/dbraw/zinc/88/79/30/1181887930.db2.gz RYBRWBHHQIEFFW-DZGCQCFKSA-N 2 1 306.410 0.397 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001715645919 1181921395 /nfs/dbraw/zinc/92/13/95/1181921395.db2.gz JZECQXPTPMTVNV-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716217917 1182260920 /nfs/dbraw/zinc/26/09/20/1182260920.db2.gz MEXSIAJXADIZNO-RRFJBIMHSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001716500851 1182415968 /nfs/dbraw/zinc/41/59/68/1182415968.db2.gz LDHSZOQZOFJTFV-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001716500851 1182415973 /nfs/dbraw/zinc/41/59/73/1182415973.db2.gz LDHSZOQZOFJTFV-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716500851 1182415977 /nfs/dbraw/zinc/41/59/77/1182415977.db2.gz LDHSZOQZOFJTFV-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001716500851 1182415979 /nfs/dbraw/zinc/41/59/79/1182415979.db2.gz LDHSZOQZOFJTFV-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001716892499 1182559519 /nfs/dbraw/zinc/55/95/19/1182559519.db2.gz CMRVXNJRVCFXIC-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001716892499 1182559520 /nfs/dbraw/zinc/55/95/20/1182559520.db2.gz CMRVXNJRVCFXIC-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001716892499 1182559523 /nfs/dbraw/zinc/55/95/23/1182559523.db2.gz CMRVXNJRVCFXIC-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001716892499 1182559526 /nfs/dbraw/zinc/55/95/26/1182559526.db2.gz CMRVXNJRVCFXIC-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001716991425 1182613824 /nfs/dbraw/zinc/61/38/24/1182613824.db2.gz ABEDCYSRKYXCGV-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001717318929 1182778703 /nfs/dbraw/zinc/77/87/03/1182778703.db2.gz OTINLTHLYAQSHY-JKSUJKDBSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001717839916 1183025532 /nfs/dbraw/zinc/02/55/32/1183025532.db2.gz DRFLFEITYDCCHY-FUHWJXTLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001717839915 1183025899 /nfs/dbraw/zinc/02/58/99/1183025899.db2.gz DRFLFEITYDCCHY-AEFFLSMTSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001724061697 1184375011 /nfs/dbraw/zinc/37/50/11/1184375011.db2.gz XTHJRTCPHOOELB-AWEZNQCLSA-N 2 1 322.453 0.128 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001724061697 1184375016 /nfs/dbraw/zinc/37/50/16/1184375016.db2.gz XTHJRTCPHOOELB-AWEZNQCLSA-N 2 1 322.453 0.128 20 30 DCEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001724342190 1184410779 /nfs/dbraw/zinc/41/07/79/1184410779.db2.gz FGFAEQYYNKPDTC-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001724342190 1184410784 /nfs/dbraw/zinc/41/07/84/1184410784.db2.gz FGFAEQYYNKPDTC-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001724342190 1184410790 /nfs/dbraw/zinc/41/07/90/1184410790.db2.gz FGFAEQYYNKPDTC-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001724342190 1184410795 /nfs/dbraw/zinc/41/07/95/1184410795.db2.gz FGFAEQYYNKPDTC-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001724342189 1184410910 /nfs/dbraw/zinc/41/09/10/1184410910.db2.gz FGFAEQYYNKPDTC-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001724342189 1184410914 /nfs/dbraw/zinc/41/09/14/1184410914.db2.gz FGFAEQYYNKPDTC-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001724342189 1184410920 /nfs/dbraw/zinc/41/09/20/1184410920.db2.gz FGFAEQYYNKPDTC-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001724342189 1184410926 /nfs/dbraw/zinc/41/09/26/1184410926.db2.gz FGFAEQYYNKPDTC-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001724400794 1184429522 /nfs/dbraw/zinc/42/95/22/1184429522.db2.gz FHILFPRCHYGBFK-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001724400794 1184429525 /nfs/dbraw/zinc/42/95/25/1184429525.db2.gz FHILFPRCHYGBFK-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001724400794 1184429528 /nfs/dbraw/zinc/42/95/28/1184429528.db2.gz FHILFPRCHYGBFK-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001724629800 1184480931 /nfs/dbraw/zinc/48/09/31/1184480931.db2.gz KEKYTFHVTRSJQJ-GDBMZVCRSA-N 2 1 308.470 0.683 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001724736061 1184540471 /nfs/dbraw/zinc/54/04/71/1184540471.db2.gz ABSSZESRRSMAGC-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCOCC1 ZINC001724918261 1184620579 /nfs/dbraw/zinc/62/05/79/1184620579.db2.gz FOLXANRANNEUNO-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCOCC1 ZINC001724921390 1184622095 /nfs/dbraw/zinc/62/20/95/1184622095.db2.gz BVJDUTPLABKELT-INIZCTEOSA-N 2 1 305.422 0.361 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001725051175 1184669459 /nfs/dbraw/zinc/66/94/59/1184669459.db2.gz CGSIPGZMLYAKMC-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001725206969 1184724269 /nfs/dbraw/zinc/72/42/69/1184724269.db2.gz GAMQMWHOBABPJW-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725518859 1184855041 /nfs/dbraw/zinc/85/50/41/1184855041.db2.gz VCLAKNQTKIDREZ-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001725715354 1184965200 /nfs/dbraw/zinc/96/52/00/1184965200.db2.gz FPFQIQDIKQRNHS-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725715354 1184965203 /nfs/dbraw/zinc/96/52/03/1184965203.db2.gz FPFQIQDIKQRNHS-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001725715354 1184965289 /nfs/dbraw/zinc/96/52/89/1184965289.db2.gz FPFQIQDIKQRNHS-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001731367103 1185300040 /nfs/dbraw/zinc/30/00/40/1185300040.db2.gz CBGFDXCGAHGVJS-IRXDYDNUSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001731702084 1185449712 /nfs/dbraw/zinc/44/97/12/1185449712.db2.gz KFAZQUMGPQXIBB-LSDHHAIUSA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001731859700 1185534253 /nfs/dbraw/zinc/53/42/53/1185534253.db2.gz YGUUXLKSRTVUEJ-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001731859700 1185534257 /nfs/dbraw/zinc/53/42/57/1185534257.db2.gz YGUUXLKSRTVUEJ-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001731859700 1185534263 /nfs/dbraw/zinc/53/42/63/1185534263.db2.gz YGUUXLKSRTVUEJ-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CCN1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001732128342 1185687425 /nfs/dbraw/zinc/68/74/25/1185687425.db2.gz FFNZYESGCGFPMG-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001732128342 1185687428 /nfs/dbraw/zinc/68/74/28/1185687428.db2.gz FFNZYESGCGFPMG-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001732128342 1185687433 /nfs/dbraw/zinc/68/74/33/1185687433.db2.gz FFNZYESGCGFPMG-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](C)OC ZINC001732327755 1185767149 /nfs/dbraw/zinc/76/71/49/1185767149.db2.gz WHBHDAPCFGWHKQ-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](C)OC ZINC001732327755 1185767153 /nfs/dbraw/zinc/76/71/53/1185767153.db2.gz WHBHDAPCFGWHKQ-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001733485693 1186293780 /nfs/dbraw/zinc/29/37/80/1186293780.db2.gz UTQWMWFAYYGGDE-SFHVURJKSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001733485693 1186293782 /nfs/dbraw/zinc/29/37/82/1186293782.db2.gz UTQWMWFAYYGGDE-SFHVURJKSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001733485693 1186293786 /nfs/dbraw/zinc/29/37/86/1186293786.db2.gz UTQWMWFAYYGGDE-SFHVURJKSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001733491737 1186300558 /nfs/dbraw/zinc/30/05/58/1186300558.db2.gz VPFCEDYDLKXVEP-KRWDZBQOSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCO1 ZINC001733745232 1186428266 /nfs/dbraw/zinc/42/82/66/1186428266.db2.gz ZTAXUAFCDSMZCZ-GOEBONIOSA-N 2 1 316.405 0.204 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCO1 ZINC001733745231 1186428597 /nfs/dbraw/zinc/42/85/97/1186428597.db2.gz ZTAXUAFCDSMZCZ-GDBMZVCRSA-N 2 1 316.405 0.204 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCOCC1 ZINC001733832375 1186466762 /nfs/dbraw/zinc/46/67/62/1186466762.db2.gz STABITRSXYQDSK-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001733900073 1186492634 /nfs/dbraw/zinc/49/26/34/1186492634.db2.gz JPVWBNDQCGISAD-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC#CCOC)CC1(C)C ZINC001734155952 1186563739 /nfs/dbraw/zinc/56/37/39/1186563739.db2.gz ZUFAYNBVCWWGSX-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[NH+](CC#CCOC)CC1(C)C ZINC001734155952 1186563741 /nfs/dbraw/zinc/56/37/41/1186563741.db2.gz ZUFAYNBVCWWGSX-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1C[N@H+](CC#CCOC)CC1(C)C ZINC001734155952 1186563743 /nfs/dbraw/zinc/56/37/43/1186563743.db2.gz ZUFAYNBVCWWGSX-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1C[N@@H+](CC#CCOC)CC1(C)C ZINC001734155952 1186563746 /nfs/dbraw/zinc/56/37/46/1186563746.db2.gz ZUFAYNBVCWWGSX-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001734271487 1186599955 /nfs/dbraw/zinc/59/99/55/1186599955.db2.gz GBONWPVRNYEQHB-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001750936761 1188360518 /nfs/dbraw/zinc/36/05/18/1188360518.db2.gz JROWNOLSJIBRNQ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001752375579 1188419371 /nfs/dbraw/zinc/41/93/71/1188419371.db2.gz QFCWKPXHFKPTBC-IAGOWNOFSA-N 2 1 320.481 0.474 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001753358792 1188572743 /nfs/dbraw/zinc/57/27/43/1188572743.db2.gz BKAHPTJBROIXQP-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001753515374 1188613323 /nfs/dbraw/zinc/61/33/23/1188613323.db2.gz YYDIWEDSJDKSGQ-WMLDXEAASA-N 2 1 322.453 0.257 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001754283777 1188809142 /nfs/dbraw/zinc/80/91/42/1188809142.db2.gz KWZOACXBQZMZGB-DZGCQCFKSA-N 2 1 318.421 0.498 20 30 DCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001754738262 1188914480 /nfs/dbraw/zinc/91/44/80/1188914480.db2.gz QETXXVZAXGKFHK-AWEZNQCLSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001754738262 1188914483 /nfs/dbraw/zinc/91/44/83/1188914483.db2.gz QETXXVZAXGKFHK-AWEZNQCLSA-N 2 1 311.426 0.148 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC#CC)C1 ZINC001755085543 1189017986 /nfs/dbraw/zinc/01/79/86/1189017986.db2.gz IYSMKBMTMGTZQF-FUHWJXTLSA-N 2 1 317.433 0.050 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC#CC)C1 ZINC001755085543 1189017991 /nfs/dbraw/zinc/01/79/91/1189017991.db2.gz IYSMKBMTMGTZQF-FUHWJXTLSA-N 2 1 317.433 0.050 20 30 DCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755154600 1189038076 /nfs/dbraw/zinc/03/80/76/1189038076.db2.gz BRDAQWRANZGAKZ-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C ZINC001755630827 1189166511 /nfs/dbraw/zinc/16/65/11/1189166511.db2.gz SALOOJDOCGOTIL-CVEARBPZSA-N 2 1 323.481 0.977 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C ZINC001755630827 1189166512 /nfs/dbraw/zinc/16/65/12/1189166512.db2.gz SALOOJDOCGOTIL-CVEARBPZSA-N 2 1 323.481 0.977 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001755637305 1189169839 /nfs/dbraw/zinc/16/98/39/1189169839.db2.gz XEYRVRGTFQBZJA-RDJZCZTQSA-N 2 1 321.465 0.874 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755800371 1189220304 /nfs/dbraw/zinc/22/03/04/1189220304.db2.gz HLBJZKWETYALFZ-HZPDHXFCSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089623235 751491188 /nfs/dbraw/zinc/49/11/88/751491188.db2.gz AKEBVTFDPKKGLA-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089623235 751491189 /nfs/dbraw/zinc/49/11/89/751491189.db2.gz AKEBVTFDPKKGLA-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089623235 751491191 /nfs/dbraw/zinc/49/11/91/751491191.db2.gz AKEBVTFDPKKGLA-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089623235 751491193 /nfs/dbraw/zinc/49/11/93/751491193.db2.gz AKEBVTFDPKKGLA-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001124836239 751720371 /nfs/dbraw/zinc/72/03/71/751720371.db2.gz DRKXPXLYHROGTC-INIZCTEOSA-N 2 1 303.381 0.977 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)[C@@H](O)C1 ZINC001083780517 751735192 /nfs/dbraw/zinc/73/51/92/751735192.db2.gz AYNBEHLPFKNSJS-CFVMTHIKSA-N 2 1 304.394 0.101 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)[C@@H](O)C1 ZINC001083780517 751735197 /nfs/dbraw/zinc/73/51/97/751735197.db2.gz AYNBEHLPFKNSJS-CFVMTHIKSA-N 2 1 304.394 0.101 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077583625 751862045 /nfs/dbraw/zinc/86/20/45/751862045.db2.gz FEGNBNJYXCOQRK-ZIAGYGMSSA-N 2 1 307.394 0.692 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077583625 751862054 /nfs/dbraw/zinc/86/20/54/751862054.db2.gz FEGNBNJYXCOQRK-ZIAGYGMSSA-N 2 1 307.394 0.692 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098532910 747020207 /nfs/dbraw/zinc/02/02/07/747020207.db2.gz KACXHTXHUHFELL-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098532910 747020214 /nfs/dbraw/zinc/02/02/14/747020214.db2.gz KACXHTXHUHFELL-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098532910 747020217 /nfs/dbraw/zinc/02/02/17/747020217.db2.gz KACXHTXHUHFELL-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP COC(=O)[C@H](CS)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001167621203 747431794 /nfs/dbraw/zinc/43/17/94/747431794.db2.gz LMNBEIUSOSVFMQ-NSHDSACASA-N 2 1 306.391 0.904 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)[NH+](C)C)C2)nn1 ZINC001105328420 748137863 /nfs/dbraw/zinc/13/78/63/748137863.db2.gz DKXFOLNUTKVADC-HNNXBMFYSA-N 2 1 320.441 0.667 20 30 DCEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001105365510 748528552 /nfs/dbraw/zinc/52/85/52/748528552.db2.gz XUNKCDUTGHDBAI-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665245 749013761 /nfs/dbraw/zinc/01/37/61/749013761.db2.gz FKYINCPQNLNTOD-HNCZQISISA-N 2 1 317.433 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665245 749013769 /nfs/dbraw/zinc/01/37/69/749013769.db2.gz FKYINCPQNLNTOD-HNCZQISISA-N 2 1 317.433 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665245 749013773 /nfs/dbraw/zinc/01/37/73/749013773.db2.gz FKYINCPQNLNTOD-HNCZQISISA-N 2 1 317.433 0.452 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H]1CC ZINC001087840384 749078105 /nfs/dbraw/zinc/07/81/05/749078105.db2.gz VRCOCOMFRIEYQL-DLBZAZTESA-N 2 1 301.434 0.934 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208320 749289582 /nfs/dbraw/zinc/28/95/82/749289582.db2.gz UZHQHMYWTDXBKO-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208320 749289589 /nfs/dbraw/zinc/28/95/89/749289589.db2.gz UZHQHMYWTDXBKO-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208320 749289594 /nfs/dbraw/zinc/28/95/94/749289594.db2.gz UZHQHMYWTDXBKO-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208320 749289596 /nfs/dbraw/zinc/28/95/96/749289596.db2.gz UZHQHMYWTDXBKO-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518517 750085098 /nfs/dbraw/zinc/08/50/98/750085098.db2.gz CIINHSJDRXUKSU-XHSDSOJGSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518517 750085102 /nfs/dbraw/zinc/08/51/02/750085102.db2.gz CIINHSJDRXUKSU-XHSDSOJGSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518517 750085104 /nfs/dbraw/zinc/08/51/04/750085104.db2.gz CIINHSJDRXUKSU-XHSDSOJGSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518517 750085107 /nfs/dbraw/zinc/08/51/07/750085107.db2.gz CIINHSJDRXUKSU-XHSDSOJGSA-N 2 1 307.438 0.149 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077131292 750216663 /nfs/dbraw/zinc/21/66/63/750216663.db2.gz UTWKNAJSMYVDPV-QLFBSQMISA-N 2 1 318.421 0.888 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077131292 750216667 /nfs/dbraw/zinc/21/66/67/750216667.db2.gz UTWKNAJSMYVDPV-QLFBSQMISA-N 2 1 318.421 0.888 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719394 751031531 /nfs/dbraw/zinc/03/15/31/751031531.db2.gz BUCXWJJIQULMFA-XHSDSOJGSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106246340 751063154 /nfs/dbraw/zinc/06/31/54/751063154.db2.gz LDXZRFYQHJSWDF-BZUAXINKSA-N 2 1 317.437 0.131 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOC)[C@H](C)C1 ZINC001106266288 751072742 /nfs/dbraw/zinc/07/27/42/751072742.db2.gz AHAMOBDBCHFAIN-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOC)[C@H](C)C1 ZINC001106266288 751072748 /nfs/dbraw/zinc/07/27/48/751072748.db2.gz AHAMOBDBCHFAIN-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310578 751105456 /nfs/dbraw/zinc/10/54/56/751105456.db2.gz SXLPVFFATUNGOD-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310578 751105459 /nfs/dbraw/zinc/10/54/59/751105459.db2.gz SXLPVFFATUNGOD-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577851 751194703 /nfs/dbraw/zinc/19/47/03/751194703.db2.gz UDQFREPWENDUDN-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577851 751194704 /nfs/dbraw/zinc/19/47/04/751194704.db2.gz UDQFREPWENDUDN-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001077979992 752940701 /nfs/dbraw/zinc/94/07/01/752940701.db2.gz JAKHOQLYVAEOEI-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077979992 752940705 /nfs/dbraw/zinc/94/07/05/752940705.db2.gz JAKHOQLYVAEOEI-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001077979992 752940710 /nfs/dbraw/zinc/94/07/10/752940710.db2.gz JAKHOQLYVAEOEI-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001077979992 752940713 /nfs/dbraw/zinc/94/07/13/752940713.db2.gz JAKHOQLYVAEOEI-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046041258 753443967 /nfs/dbraw/zinc/44/39/67/753443967.db2.gz PKHQEWQIRSPLAX-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041258 753443971 /nfs/dbraw/zinc/44/39/71/753443971.db2.gz PKHQEWQIRSPLAX-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041258 753443979 /nfs/dbraw/zinc/44/39/79/753443979.db2.gz PKHQEWQIRSPLAX-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064133 753457057 /nfs/dbraw/zinc/45/70/57/753457057.db2.gz GFDQAQDAEVALKR-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064133 753457060 /nfs/dbraw/zinc/45/70/60/753457060.db2.gz GFDQAQDAEVALKR-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064133 753457065 /nfs/dbraw/zinc/45/70/65/753457065.db2.gz GFDQAQDAEVALKR-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128782780 754282622 /nfs/dbraw/zinc/28/26/22/754282622.db2.gz BRGOJRJFNAYGAL-UONOGXRCSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001047553706 754387395 /nfs/dbraw/zinc/38/73/95/754387395.db2.gz SPWWXQIICWKRJZ-IKGGRYGDSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCO)C2)CC1 ZINC001072095600 762351643 /nfs/dbraw/zinc/35/16/43/762351643.db2.gz LGPHEGWCHZHLCU-NVXWUHKLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959761 755041083 /nfs/dbraw/zinc/04/10/83/755041083.db2.gz MUUYBJLSKHCTEM-IXDOHACOSA-N 2 1 301.434 0.884 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005562 755069400 /nfs/dbraw/zinc/06/94/00/755069400.db2.gz BGNCNOBCCVTEAZ-BBWFWOEESA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005562 755069406 /nfs/dbraw/zinc/06/94/06/755069406.db2.gz BGNCNOBCCVTEAZ-BBWFWOEESA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005562 755069410 /nfs/dbraw/zinc/06/94/10/755069410.db2.gz BGNCNOBCCVTEAZ-BBWFWOEESA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005562 755069417 /nfs/dbraw/zinc/06/94/17/755069417.db2.gz BGNCNOBCCVTEAZ-BBWFWOEESA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC#CC)C[C@@H]3C2)CC1 ZINC001049235773 755197308 /nfs/dbraw/zinc/19/73/08/755197308.db2.gz VFPZGTFWYUPXHA-HDICACEKSA-N 2 1 313.445 0.745 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549830 755311196 /nfs/dbraw/zinc/31/11/96/755311196.db2.gz RXYYVNAHGUGWDP-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549830 755311199 /nfs/dbraw/zinc/31/11/99/755311199.db2.gz RXYYVNAHGUGWDP-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549830 755311204 /nfs/dbraw/zinc/31/12/04/755311204.db2.gz RXYYVNAHGUGWDP-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549830 755311205 /nfs/dbraw/zinc/31/12/05/755311205.db2.gz RXYYVNAHGUGWDP-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)CC1 ZINC001096605312 755457446 /nfs/dbraw/zinc/45/74/46/755457446.db2.gz ITKRSMYFZJLQKG-PMPSAXMXSA-N 2 1 305.422 0.045 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717704 755977714 /nfs/dbraw/zinc/97/77/14/755977714.db2.gz WYPWKXCBSXFMFK-UKRRQHHQSA-N 2 1 305.426 0.681 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C13CC[NH+](CC1)C3)O2 ZINC001053690610 756148349 /nfs/dbraw/zinc/14/83/49/756148349.db2.gz LONKYYYJOMOZGS-OAHLLOKOSA-N 2 1 317.433 0.455 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393955 757391031 /nfs/dbraw/zinc/39/10/31/757391031.db2.gz RXUOVUFXLIQTNU-HUUCEWRRSA-N 2 1 305.422 0.190 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091940 757670300 /nfs/dbraw/zinc/67/03/00/757670300.db2.gz XVUGTAASPNWPGR-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091940 757670305 /nfs/dbraw/zinc/67/03/05/757670305.db2.gz XVUGTAASPNWPGR-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091940 757670312 /nfs/dbraw/zinc/67/03/12/757670312.db2.gz XVUGTAASPNWPGR-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911426 758119687 /nfs/dbraw/zinc/11/96/87/758119687.db2.gz AXIBTNKXOSLPIN-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911426 758119693 /nfs/dbraw/zinc/11/96/93/758119693.db2.gz AXIBTNKXOSLPIN-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911426 758119701 /nfs/dbraw/zinc/11/97/01/758119701.db2.gz AXIBTNKXOSLPIN-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911426 758119708 /nfs/dbraw/zinc/11/97/08/758119708.db2.gz AXIBTNKXOSLPIN-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911426 758119717 /nfs/dbraw/zinc/11/97/17/758119717.db2.gz AXIBTNKXOSLPIN-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995964 759098310 /nfs/dbraw/zinc/09/83/10/759098310.db2.gz HRBIEZHPFDZPTQ-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995371 759098579 /nfs/dbraw/zinc/09/85/79/759098579.db2.gz CJYMNXWJADLLBX-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098392220 759230401 /nfs/dbraw/zinc/23/04/01/759230401.db2.gz MZAGGTZCKFBBBV-UHFFFAOYSA-N 2 1 307.438 0.389 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074274 760124499 /nfs/dbraw/zinc/12/44/99/760124499.db2.gz KUCMSFXJBIXGFW-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001086389586 760126918 /nfs/dbraw/zinc/12/69/18/760126918.db2.gz RUDCJXYYRPOVDF-QAETUUGQSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001086389586 760126920 /nfs/dbraw/zinc/12/69/20/760126920.db2.gz RUDCJXYYRPOVDF-QAETUUGQSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086460433 760217948 /nfs/dbraw/zinc/21/79/48/760217948.db2.gz WNNBASYUKFSIPE-RBSFLKMASA-N 2 1 300.406 0.872 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[N@H+](C)CCC)C1=O ZINC001148573176 768019635 /nfs/dbraw/zinc/01/96/35/768019635.db2.gz QAPCNJIRCKXKCV-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001112583379 761702934 /nfs/dbraw/zinc/70/29/34/761702934.db2.gz QGINBJJYFCZHKW-BQFCYCMXSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583379 761702937 /nfs/dbraw/zinc/70/29/37/761702937.db2.gz QGINBJJYFCZHKW-BQFCYCMXSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071228431 761725763 /nfs/dbraw/zinc/72/57/63/761725763.db2.gz UPOOMACJGUQZHJ-MAUKXSAKSA-N 2 1 317.433 0.407 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400679 762936527 /nfs/dbraw/zinc/93/65/27/762936527.db2.gz XAPGRGWSZZZZPN-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400679 762936537 /nfs/dbraw/zinc/93/65/37/762936537.db2.gz XAPGRGWSZZZZPN-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400679 762936546 /nfs/dbraw/zinc/93/65/46/762936546.db2.gz XAPGRGWSZZZZPN-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400679 762936557 /nfs/dbraw/zinc/93/65/57/762936557.db2.gz XAPGRGWSZZZZPN-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1nc(C)cc1C ZINC001129771030 763008172 /nfs/dbraw/zinc/00/81/72/763008172.db2.gz OBCZPRVWZJXISF-INIZCTEOSA-N 2 1 317.437 0.303 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1nc(C)cc1C ZINC001129771030 763008174 /nfs/dbraw/zinc/00/81/74/763008174.db2.gz OBCZPRVWZJXISF-INIZCTEOSA-N 2 1 317.437 0.303 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001099897031 763107123 /nfs/dbraw/zinc/10/71/23/763107123.db2.gz PTDFEERZRWIYRR-HOTGVXAUSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001099897031 763107131 /nfs/dbraw/zinc/10/71/31/763107131.db2.gz PTDFEERZRWIYRR-HOTGVXAUSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001099897031 763107136 /nfs/dbraw/zinc/10/71/36/763107136.db2.gz PTDFEERZRWIYRR-HOTGVXAUSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001099897031 763107141 /nfs/dbraw/zinc/10/71/41/763107141.db2.gz PTDFEERZRWIYRR-HOTGVXAUSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@H+](C)CCC)C1 ZINC001130446771 763312727 /nfs/dbraw/zinc/31/27/27/763312727.db2.gz QZWASPDCOMENAA-AWEZNQCLSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130446771 763312734 /nfs/dbraw/zinc/31/27/34/763312734.db2.gz QZWASPDCOMENAA-AWEZNQCLSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130446771 763312740 /nfs/dbraw/zinc/31/27/40/763312740.db2.gz QZWASPDCOMENAA-AWEZNQCLSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100114191 763324071 /nfs/dbraw/zinc/32/40/71/763324071.db2.gz KAEDBBUICRMPJG-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100114191 763324086 /nfs/dbraw/zinc/32/40/86/763324086.db2.gz KAEDBBUICRMPJG-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100383225 763535827 /nfs/dbraw/zinc/53/58/27/763535827.db2.gz QRERSSIHNHGMLZ-OFLPRAFFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952314 768171049 /nfs/dbraw/zinc/17/10/49/768171049.db2.gz HWSYVRHRKMWSCB-NUJGCVRESA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952314 768171051 /nfs/dbraw/zinc/17/10/51/768171051.db2.gz HWSYVRHRKMWSCB-NUJGCVRESA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952314 768171053 /nfs/dbraw/zinc/17/10/53/768171053.db2.gz HWSYVRHRKMWSCB-NUJGCVRESA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952314 768171056 /nfs/dbraw/zinc/17/10/56/768171056.db2.gz HWSYVRHRKMWSCB-NUJGCVRESA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@@H](C)O2 ZINC001131677842 763945288 /nfs/dbraw/zinc/94/52/88/763945288.db2.gz PTELQDDYHHQION-CRAIPNDOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1C ZINC001132128817 764263320 /nfs/dbraw/zinc/26/33/20/764263320.db2.gz OTAHWTIRJXSWIZ-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1C ZINC001132128817 764263323 /nfs/dbraw/zinc/26/33/23/764263323.db2.gz OTAHWTIRJXSWIZ-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132265492 764343848 /nfs/dbraw/zinc/34/38/48/764343848.db2.gz NUTWQQBTBUCNEO-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132265492 764343856 /nfs/dbraw/zinc/34/38/56/764343856.db2.gz NUTWQQBTBUCNEO-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132359784 764415961 /nfs/dbraw/zinc/41/59/61/764415961.db2.gz OKCFHVYLDPUISV-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132359784 764415969 /nfs/dbraw/zinc/41/59/69/764415969.db2.gz OKCFHVYLDPUISV-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642975 765100439 /nfs/dbraw/zinc/10/04/39/765100439.db2.gz CGQOYMYWQWFUTN-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133873310 765203973 /nfs/dbraw/zinc/20/39/73/765203973.db2.gz UPSKLJAOJWFSKO-CQSZACIVSA-N 2 1 306.410 0.662 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033764 765243874 /nfs/dbraw/zinc/24/38/74/765243874.db2.gz GPUWLBLZOSTXLB-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033764 765243879 /nfs/dbraw/zinc/24/38/79/765243879.db2.gz GPUWLBLZOSTXLB-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612590 765590557 /nfs/dbraw/zinc/59/05/57/765590557.db2.gz OSQHVRKHMYCRRR-KBPBESRZSA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115119170 765596032 /nfs/dbraw/zinc/59/60/32/765596032.db2.gz SHHRETKRPHRNFF-AIANPOQGSA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001115119170 765596034 /nfs/dbraw/zinc/59/60/34/765596034.db2.gz SHHRETKRPHRNFF-AIANPOQGSA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001115119170 765596036 /nfs/dbraw/zinc/59/60/36/765596036.db2.gz SHHRETKRPHRNFF-AIANPOQGSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC001090832009 766649587 /nfs/dbraw/zinc/64/95/87/766649587.db2.gz XSDXRKYAUMIYRF-IRXDYDNUSA-N 2 1 319.449 0.459 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cnon2)C1 ZINC001091075837 766892820 /nfs/dbraw/zinc/89/28/20/766892820.db2.gz CDIUYNWYOUJPOT-PIMMBPRGSA-N 2 1 317.393 0.152 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001122247426 767751051 /nfs/dbraw/zinc/75/10/51/767751051.db2.gz FWHSDDGHDYINBL-GJZGRUSLSA-N 2 1 307.463 0.685 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC001093224482 768501562 /nfs/dbraw/zinc/50/15/62/768501562.db2.gz YPEDZHWBLXAZCE-HLLBOEOZSA-N 2 1 321.465 0.397 20 30 DCEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073223 769252252 /nfs/dbraw/zinc/25/22/52/769252252.db2.gz GRLHSFWSJNLBLF-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001151748001 769411894 /nfs/dbraw/zinc/41/18/94/769411894.db2.gz BRFIAMJJAQMBFH-INIZCTEOSA-N 2 1 316.405 0.485 20 30 DCEDMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001151748001 769411897 /nfs/dbraw/zinc/41/18/97/769411897.db2.gz BRFIAMJJAQMBFH-INIZCTEOSA-N 2 1 316.405 0.485 20 30 DCEDMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC#CC[NH+](C)C)CCCO1 ZINC001234145244 769563843 /nfs/dbraw/zinc/56/38/43/769563843.db2.gz CNCNPLOVEOZMPY-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150333877 769738020 /nfs/dbraw/zinc/73/80/20/769738020.db2.gz QOFVSHZRPFOIKJ-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150333877 769738028 /nfs/dbraw/zinc/73/80/28/769738028.db2.gz QOFVSHZRPFOIKJ-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001150333877 769738036 /nfs/dbraw/zinc/73/80/36/769738036.db2.gz QOFVSHZRPFOIKJ-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179178945 770953952 /nfs/dbraw/zinc/95/39/52/770953952.db2.gz DZNHZNLBBPMSIY-SWOOZJHCSA-N 2 1 317.433 0.452 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001182896664 771573390 /nfs/dbraw/zinc/57/33/90/771573390.db2.gz BRJXYSFRNFIBJQ-SJLPKXTDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289382 771632663 /nfs/dbraw/zinc/63/26/63/771632663.db2.gz VNWGJDXLUPDAAE-UONOGXRCSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCOCC)C1 ZINC001183361377 771638973 /nfs/dbraw/zinc/63/89/73/771638973.db2.gz RVXAYMZIZHMJLN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCOCC)C1 ZINC001183361377 771638978 /nfs/dbraw/zinc/63/89/78/771638978.db2.gz RVXAYMZIZHMJLN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185214259 771880463 /nfs/dbraw/zinc/88/04/63/771880463.db2.gz SDJXJXCVUTVOKY-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159925009 771978327 /nfs/dbraw/zinc/97/83/27/771978327.db2.gz MWYWWOLWGVWUST-ZDUSSCGKSA-N 2 1 319.409 0.159 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)n(C)n1 ZINC001160197971 772006849 /nfs/dbraw/zinc/00/68/49/772006849.db2.gz QENJNFUIJALMJE-INIZCTEOSA-N 2 1 317.437 0.422 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)n(C)n1 ZINC001160197971 772006855 /nfs/dbraw/zinc/00/68/55/772006855.db2.gz QENJNFUIJALMJE-INIZCTEOSA-N 2 1 317.437 0.422 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160870525 772130285 /nfs/dbraw/zinc/13/02/85/772130285.db2.gz YQMREYXPVGYBGS-JKSUJKDBSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187276203 772158992 /nfs/dbraw/zinc/15/89/92/772158992.db2.gz BLXUIEQKKCNMDW-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699556 772268222 /nfs/dbraw/zinc/26/82/22/772268222.db2.gz UHBWLGWJZBWISA-UHFFFAOYSA-N 2 1 307.438 0.726 20 30 DCEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515898 772488327 /nfs/dbraw/zinc/48/83/27/772488327.db2.gz CSQYRWVDPIJWRT-CABCVRRESA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515898 772488331 /nfs/dbraw/zinc/48/83/31/772488331.db2.gz CSQYRWVDPIJWRT-CABCVRRESA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515898 772488335 /nfs/dbraw/zinc/48/83/35/772488335.db2.gz CSQYRWVDPIJWRT-CABCVRRESA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189515898 772488337 /nfs/dbraw/zinc/48/83/37/772488337.db2.gz CSQYRWVDPIJWRT-CABCVRRESA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001190948054 772696225 /nfs/dbraw/zinc/69/62/25/772696225.db2.gz TVFBHRNXFDULSI-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191144958 772731893 /nfs/dbraw/zinc/73/18/93/772731893.db2.gz RXPOSXLFKYIZCA-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192189828 772882339 /nfs/dbraw/zinc/88/23/39/772882339.db2.gz IUMJFXBWMCJUEE-GDBMZVCRSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192189828 772882344 /nfs/dbraw/zinc/88/23/44/772882344.db2.gz IUMJFXBWMCJUEE-GDBMZVCRSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203508615 772910295 /nfs/dbraw/zinc/91/02/95/772910295.db2.gz ZREPBLSHMFIZHZ-LSDHHAIUSA-N 2 1 307.438 0.912 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCO)CC1 ZINC001205479303 772995036 /nfs/dbraw/zinc/99/50/36/772995036.db2.gz FXZPKGXQJODFJM-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCO)CC1 ZINC001205479303 772995039 /nfs/dbraw/zinc/99/50/39/772995039.db2.gz FXZPKGXQJODFJM-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193600572 773095816 /nfs/dbraw/zinc/09/58/16/773095816.db2.gz GQPJPVBTFGKVOU-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193600572 773095820 /nfs/dbraw/zinc/09/58/20/773095820.db2.gz GQPJPVBTFGKVOU-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193600572 773095824 /nfs/dbraw/zinc/09/58/24/773095824.db2.gz GQPJPVBTFGKVOU-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193600572 773095827 /nfs/dbraw/zinc/09/58/27/773095827.db2.gz GQPJPVBTFGKVOU-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026701 773140064 /nfs/dbraw/zinc/14/00/64/773140064.db2.gz IYOMOPPHFXPHSG-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194996807 773302884 /nfs/dbraw/zinc/30/28/84/773302884.db2.gz HWVRLJWLLSRGDC-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194996807 773302889 /nfs/dbraw/zinc/30/28/89/773302889.db2.gz HWVRLJWLLSRGDC-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194996807 773302894 /nfs/dbraw/zinc/30/28/94/773302894.db2.gz HWVRLJWLLSRGDC-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001195850957 773485185 /nfs/dbraw/zinc/48/51/85/773485185.db2.gz PYRKCSYDTVVLDR-HZPDHXFCSA-N 2 1 316.405 0.171 20 30 DCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001195850957 773485188 /nfs/dbraw/zinc/48/51/88/773485188.db2.gz PYRKCSYDTVVLDR-HZPDHXFCSA-N 2 1 316.405 0.171 20 30 DCEDMP C=CCNC(=O)CN1CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001196349217 773582285 /nfs/dbraw/zinc/58/22/85/773582285.db2.gz FZWYZFUHTKHZHA-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209488024 773608793 /nfs/dbraw/zinc/60/87/93/773608793.db2.gz GZCKHCLKZQXBOT-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209488024 773608796 /nfs/dbraw/zinc/60/87/96/773608796.db2.gz GZCKHCLKZQXBOT-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478699 773609145 /nfs/dbraw/zinc/60/91/45/773609145.db2.gz YDWZLGUGWNIMSN-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478699 773609148 /nfs/dbraw/zinc/60/91/48/773609148.db2.gz YDWZLGUGWNIMSN-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209632213 773627263 /nfs/dbraw/zinc/62/72/63/773627263.db2.gz LFAFLOITQGYYJF-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962430 773675074 /nfs/dbraw/zinc/67/50/74/773675074.db2.gz GITXSWOCRRMJNA-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962430 773675077 /nfs/dbraw/zinc/67/50/77/773675077.db2.gz GITXSWOCRRMJNA-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211090598 773769532 /nfs/dbraw/zinc/76/95/32/773769532.db2.gz KAQHDSBSQQAEOG-CQSZACIVSA-N 2 1 319.409 0.074 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211090584 773769713 /nfs/dbraw/zinc/76/97/13/773769713.db2.gz KAQHDSBSQQAEOG-AWEZNQCLSA-N 2 1 319.409 0.074 20 30 DCEDMP C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197691631 773784933 /nfs/dbraw/zinc/78/49/33/773784933.db2.gz LMTFQRBQGWJJRP-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197691631 773784936 /nfs/dbraw/zinc/78/49/36/773784936.db2.gz LMTFQRBQGWJJRP-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197691631 773784939 /nfs/dbraw/zinc/78/49/39/773784939.db2.gz LMTFQRBQGWJJRP-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197691631 773784941 /nfs/dbraw/zinc/78/49/41/773784941.db2.gz LMTFQRBQGWJJRP-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197691631 773784944 /nfs/dbraw/zinc/78/49/44/773784944.db2.gz LMTFQRBQGWJJRP-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284262 773789889 /nfs/dbraw/zinc/78/98/89/773789889.db2.gz KGYUPLGFOSOKLY-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC(C)C)C1 ZINC001214880896 774021638 /nfs/dbraw/zinc/02/16/38/774021638.db2.gz YFXWBKZRGBQGSO-ZACQAIPSSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC(C)C)C1 ZINC001214880896 774021647 /nfs/dbraw/zinc/02/16/47/774021647.db2.gz YFXWBKZRGBQGSO-ZACQAIPSSA-N 2 1 321.465 0.946 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199129052 774032686 /nfs/dbraw/zinc/03/26/86/774032686.db2.gz WFSGPBSEEZGIBH-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199129052 774032692 /nfs/dbraw/zinc/03/26/92/774032692.db2.gz WFSGPBSEEZGIBH-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550865 774244318 /nfs/dbraw/zinc/24/43/18/774244318.db2.gz QTGVXHVMDVLPOD-LSDHHAIUSA-N 2 1 307.438 0.816 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200553920 774363231 /nfs/dbraw/zinc/36/32/31/774363231.db2.gz CDWJNKKWAJBTPC-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201631135 774529950 /nfs/dbraw/zinc/52/99/50/774529950.db2.gz AOFQITCVUNGGNJ-UHFFFAOYSA-N 2 1 319.409 0.074 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665651 774574987 /nfs/dbraw/zinc/57/49/87/774574987.db2.gz SIDGNTFGUVZTOE-ZNMIVQPWSA-N 2 1 318.421 0.581 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665651 774574990 /nfs/dbraw/zinc/57/49/90/774574990.db2.gz SIDGNTFGUVZTOE-ZNMIVQPWSA-N 2 1 318.421 0.581 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724511 774591620 /nfs/dbraw/zinc/59/16/20/774591620.db2.gz OMZSDYCRMLOWLA-MJBXVCDLSA-N 2 1 301.406 0.404 20 30 DCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202504546 774770737 /nfs/dbraw/zinc/77/07/37/774770737.db2.gz UPASTQZZHIFXMT-GDBMZVCRSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096629 774995059 /nfs/dbraw/zinc/99/50/59/774995059.db2.gz VNRFWWGCTLFHKM-IXDOHACOSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096629 774995062 /nfs/dbraw/zinc/99/50/62/774995062.db2.gz VNRFWWGCTLFHKM-IXDOHACOSA-N 2 1 321.465 0.682 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158476 775011530 /nfs/dbraw/zinc/01/15/30/775011530.db2.gz HUBPQSAMRSYYFD-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158476 775011539 /nfs/dbraw/zinc/01/15/39/775011539.db2.gz HUBPQSAMRSYYFD-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095429273 775115605 /nfs/dbraw/zinc/11/56/05/775115605.db2.gz OOPMMYUFADISPN-KBMXLJTQSA-N 2 1 317.437 0.966 20 30 DCEDMP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111228261 775608239 /nfs/dbraw/zinc/60/82/39/775608239.db2.gz BRKGFRGKFZTQFQ-KFWWJZLASA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111228261 775608245 /nfs/dbraw/zinc/60/82/45/775608245.db2.gz BRKGFRGKFZTQFQ-KFWWJZLASA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111228261 775608249 /nfs/dbraw/zinc/60/82/49/775608249.db2.gz BRKGFRGKFZTQFQ-KFWWJZLASA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111228261 775608255 /nfs/dbraw/zinc/60/82/55/775608255.db2.gz BRKGFRGKFZTQFQ-KFWWJZLASA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001229185205 776166496 /nfs/dbraw/zinc/16/64/96/776166496.db2.gz IQVCTKMGHQBGNM-GOEBONIOSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229254518 776175098 /nfs/dbraw/zinc/17/50/98/776175098.db2.gz VFKVGNCPPUHXID-ZFWWWQNUSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229692897 776213864 /nfs/dbraw/zinc/21/38/64/776213864.db2.gz MKXNKWRNCUTCJP-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266879730 939264672 /nfs/dbraw/zinc/26/46/72/939264672.db2.gz XFLARRNFHMPRGF-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266883990 939265445 /nfs/dbraw/zinc/26/54/45/939265445.db2.gz JGJUGPQBTDVSRT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266883990 939265449 /nfs/dbraw/zinc/26/54/49/939265449.db2.gz JGJUGPQBTDVSRT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N(CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480965028 939503951 /nfs/dbraw/zinc/50/39/51/939503951.db2.gz JXLAHOLZNRAYHP-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480965028 939503953 /nfs/dbraw/zinc/50/39/53/939503953.db2.gz JXLAHOLZNRAYHP-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480965028 939503956 /nfs/dbraw/zinc/50/39/56/939503956.db2.gz JXLAHOLZNRAYHP-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480965028 939503960 /nfs/dbraw/zinc/50/39/60/939503960.db2.gz JXLAHOLZNRAYHP-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001420176561 939615577 /nfs/dbraw/zinc/61/55/77/939615577.db2.gz UPNHXIXFCPLUIE-LBPRGKRZSA-N 2 1 305.850 0.784 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267668792 939619019 /nfs/dbraw/zinc/61/90/19/939619019.db2.gz CEMNZUYYSNNPKX-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267668792 939619020 /nfs/dbraw/zinc/61/90/20/939619020.db2.gz CEMNZUYYSNNPKX-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267668792 939619021 /nfs/dbraw/zinc/61/90/21/939619021.db2.gz CEMNZUYYSNNPKX-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267682045 939624677 /nfs/dbraw/zinc/62/46/77/939624677.db2.gz TVLWEUCQEHVXQN-INIZCTEOSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267682045 939624678 /nfs/dbraw/zinc/62/46/78/939624678.db2.gz TVLWEUCQEHVXQN-INIZCTEOSA-N 2 1 307.438 0.557 20 30 DCEDMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267789113 939682818 /nfs/dbraw/zinc/68/28/18/939682818.db2.gz FXBXKBSVMRKFLU-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267789113 939682819 /nfs/dbraw/zinc/68/28/19/939682819.db2.gz FXBXKBSVMRKFLU-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001278397718 945275504 /nfs/dbraw/zinc/27/55/04/945275504.db2.gz VSOXZPJGGGLVGA-INMHGKMJSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001278397718 945275510 /nfs/dbraw/zinc/27/55/10/945275510.db2.gz VSOXZPJGGGLVGA-INMHGKMJSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278397718 945275518 /nfs/dbraw/zinc/27/55/18/945275518.db2.gz VSOXZPJGGGLVGA-INMHGKMJSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001481461800 939875621 /nfs/dbraw/zinc/87/56/21/939875621.db2.gz IXOMVWBTCWZCCQ-HOTGVXAUSA-N 2 1 321.465 0.541 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001268220022 939994059 /nfs/dbraw/zinc/99/40/59/939994059.db2.gz REPBFAUFKRADGV-HOTGVXAUSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001268215460 939994307 /nfs/dbraw/zinc/99/43/07/939994307.db2.gz JOZVUUVZSAGILP-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001268215460 939994310 /nfs/dbraw/zinc/99/43/10/939994310.db2.gz JOZVUUVZSAGILP-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001481708452 940064884 /nfs/dbraw/zinc/06/48/84/940064884.db2.gz SDGRYQOSABLFLY-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H](NC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001481708452 940064885 /nfs/dbraw/zinc/06/48/85/940064885.db2.gz SDGRYQOSABLFLY-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+](C)CCC)C2)C1=O ZINC001481708452 940064887 /nfs/dbraw/zinc/06/48/87/940064887.db2.gz SDGRYQOSABLFLY-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C[NH+](C)CCC)C2)C1=O ZINC001481708452 940064888 /nfs/dbraw/zinc/06/48/88/940064888.db2.gz SDGRYQOSABLFLY-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC#CCOC)C2)C1 ZINC001318272950 945307393 /nfs/dbraw/zinc/30/73/93/945307393.db2.gz HVBIWMLWSMWZMD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC#CCOC)C2)C1 ZINC001318272950 945307402 /nfs/dbraw/zinc/30/74/02/945307402.db2.gz HVBIWMLWSMWZMD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC#CCOC)C2)C1 ZINC001318272950 945307412 /nfs/dbraw/zinc/30/74/12/945307412.db2.gz HVBIWMLWSMWZMD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC#CCOC)C2)C1 ZINC001318272950 945307418 /nfs/dbraw/zinc/30/74/18/945307418.db2.gz HVBIWMLWSMWZMD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC[C@H](C)O)C1 ZINC001268837662 940378768 /nfs/dbraw/zinc/37/87/68/940378768.db2.gz BJIHGSISAARAMD-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC[C@H](C)O)C1 ZINC001268837662 940378771 /nfs/dbraw/zinc/37/87/71/940378771.db2.gz BJIHGSISAARAMD-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269287937 940672023 /nfs/dbraw/zinc/67/20/23/940672023.db2.gz OPTWLKJJCPJWMY-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001269287937 940672026 /nfs/dbraw/zinc/67/20/26/940672026.db2.gz OPTWLKJJCPJWMY-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287937 940672028 /nfs/dbraw/zinc/67/20/28/940672028.db2.gz OPTWLKJJCPJWMY-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287937 940672029 /nfs/dbraw/zinc/67/20/29/940672029.db2.gz OPTWLKJJCPJWMY-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001284468844 940674213 /nfs/dbraw/zinc/67/42/13/940674213.db2.gz ORGIJRFGYVCVRG-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001284468844 940674214 /nfs/dbraw/zinc/67/42/14/940674214.db2.gz ORGIJRFGYVCVRG-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001270165809 940847983 /nfs/dbraw/zinc/84/79/83/940847983.db2.gz QNKOGLVCLFCUHT-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001270187554 940852203 /nfs/dbraw/zinc/85/22/03/940852203.db2.gz JDNNTWZCDXGRRE-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CCO)CC1 ZINC001482504289 941433282 /nfs/dbraw/zinc/43/32/82/941433282.db2.gz KUMQLLSABCEWLT-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCO)CC1 ZINC001482504289 941433284 /nfs/dbraw/zinc/43/32/84/941433284.db2.gz KUMQLLSABCEWLT-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCO)CC1 ZINC001482504289 941433286 /nfs/dbraw/zinc/43/32/86/941433286.db2.gz KUMQLLSABCEWLT-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCO)CC1 ZINC001482504289 941433287 /nfs/dbraw/zinc/43/32/87/941433287.db2.gz KUMQLLSABCEWLT-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271883477 941472402 /nfs/dbraw/zinc/47/24/02/941472402.db2.gz BAZTZZWZQQGXBD-CABCVRRESA-N 2 1 324.469 0.503 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001482991481 941761404 /nfs/dbraw/zinc/76/14/04/941761404.db2.gz RTWVPTUSXFLXRC-BEVHLOIGSA-N 2 1 308.426 0.033 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCCO1 ZINC001483236981 942103321 /nfs/dbraw/zinc/10/33/21/942103321.db2.gz XBMUGXRRKGPUMA-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCCO1 ZINC001483236981 942103324 /nfs/dbraw/zinc/10/33/24/942103324.db2.gz XBMUGXRRKGPUMA-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001484025260 943085502 /nfs/dbraw/zinc/08/55/02/943085502.db2.gz IOGFGXZUSXJBJB-INIZCTEOSA-N 2 1 306.454 0.178 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001484025260 943085506 /nfs/dbraw/zinc/08/55/06/943085506.db2.gz IOGFGXZUSXJBJB-INIZCTEOSA-N 2 1 306.454 0.178 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001484025260 943085514 /nfs/dbraw/zinc/08/55/14/943085514.db2.gz IOGFGXZUSXJBJB-INIZCTEOSA-N 2 1 306.454 0.178 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001484025584 943087315 /nfs/dbraw/zinc/08/73/15/943087315.db2.gz MTIHGWSYGTXLND-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001484222101 943216668 /nfs/dbraw/zinc/21/66/68/943216668.db2.gz BCEWXLKQDYHEGG-RHSMWYFYSA-N 2 1 316.405 0.022 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001484728696 943537858 /nfs/dbraw/zinc/53/78/58/943537858.db2.gz UHAZQRBVAIVSTI-OAHLLOKOSA-N 2 1 322.453 0.355 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484839510 943589240 /nfs/dbraw/zinc/58/92/40/943589240.db2.gz LCOVWWYUUMZOER-DOTOQJQBSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCN1CC[NH+](CCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485010176 943652269 /nfs/dbraw/zinc/65/22/69/943652269.db2.gz UWAFGJYTQQWFRZ-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001491264700 943879338 /nfs/dbraw/zinc/87/93/38/943879338.db2.gz BNFSDFCYVSBPRM-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001485580301 944012570 /nfs/dbraw/zinc/01/25/70/944012570.db2.gz FTJGDLNZPJYTQW-HUUCEWRRSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001485580302 944012866 /nfs/dbraw/zinc/01/28/66/944012866.db2.gz FTJGDLNZPJYTQW-LSDHHAIUSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001485620869 944032562 /nfs/dbraw/zinc/03/25/62/944032562.db2.gz ZIIAZIGWNNUVPU-OSYLJGHBSA-N 2 1 321.465 0.967 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCOCC1 ZINC001491487199 944037976 /nfs/dbraw/zinc/03/79/76/944037976.db2.gz WTPZFHHUNJZKIY-ZBFHGGJFSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCOCC1 ZINC001491487199 944037985 /nfs/dbraw/zinc/03/79/85/944037985.db2.gz WTPZFHHUNJZKIY-ZBFHGGJFSA-N 2 1 307.438 0.605 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC#CCOC)CC1(C)C ZINC001276625511 944236407 /nfs/dbraw/zinc/23/64/07/944236407.db2.gz ZUZWVOPINAGCMR-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](CC#CCOC)CC1(C)C ZINC001276625511 944236419 /nfs/dbraw/zinc/23/64/19/944236419.db2.gz ZUZWVOPINAGCMR-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+](CC#CCOC)CC1(C)C ZINC001276625511 944236430 /nfs/dbraw/zinc/23/64/30/944236430.db2.gz ZUZWVOPINAGCMR-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](CC#CCOC)CC1(C)C ZINC001276625511 944236437 /nfs/dbraw/zinc/23/64/37/944236437.db2.gz ZUZWVOPINAGCMR-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272807918 944239869 /nfs/dbraw/zinc/23/98/69/944239869.db2.gz JIAQHWZBNQBJGZ-KRWDZBQOSA-N 2 1 312.373 0.468 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272807918 944239877 /nfs/dbraw/zinc/23/98/77/944239877.db2.gz JIAQHWZBNQBJGZ-KRWDZBQOSA-N 2 1 312.373 0.468 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001486095990 944553136 /nfs/dbraw/zinc/55/31/36/944553136.db2.gz MABNTXNETIACEZ-TZMCWYRMSA-N 2 1 319.409 0.073 20 30 DCEDMP COCC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001316930695 944657192 /nfs/dbraw/zinc/65/71/92/944657192.db2.gz KMJRXXLHMGDHNH-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001277247087 944723405 /nfs/dbraw/zinc/72/34/05/944723405.db2.gz SHJHSZDJHJTBBQ-CQSZACIVSA-N 2 1 306.410 0.716 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317084127 944785669 /nfs/dbraw/zinc/78/56/69/944785669.db2.gz AXZFSIDUVXHTNQ-AJNGGQMLSA-N 2 1 322.453 0.256 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317511511 945011179 /nfs/dbraw/zinc/01/11/79/945011179.db2.gz YKUGVUQAWICWIE-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317511511 945011189 /nfs/dbraw/zinc/01/11/89/945011189.db2.gz YKUGVUQAWICWIE-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317511511 945011201 /nfs/dbraw/zinc/01/12/01/945011201.db2.gz YKUGVUQAWICWIE-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317511511 945011211 /nfs/dbraw/zinc/01/12/11/945011211.db2.gz YKUGVUQAWICWIE-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCn1cccn1 ZINC001318537106 945397600 /nfs/dbraw/zinc/39/76/00/945397600.db2.gz KFUDSYWBHPPGFF-HOTGVXAUSA-N 2 1 317.437 0.465 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCn1cccn1 ZINC001318537106 945397610 /nfs/dbraw/zinc/39/76/10/945397610.db2.gz KFUDSYWBHPPGFF-HOTGVXAUSA-N 2 1 317.437 0.465 20 30 DCEDMP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001318730590 945436083 /nfs/dbraw/zinc/43/60/83/945436083.db2.gz WIFNEVSXLWZRRF-MAUKXSAKSA-N 2 1 321.465 0.853 20 30 DCEDMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@H]1CCN[C@H](C#N)C1)CC[NH2+]CC2 ZINC001246611974 945444799 /nfs/dbraw/zinc/44/47/99/945444799.db2.gz VIEWJHBICXYJAV-KKUMJFAQSA-N 2 1 320.437 0.638 20 30 DCEDMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H]1CCN[C@H](C#N)C1)CC[NH2+]CC2 ZINC001246611974 945444803 /nfs/dbraw/zinc/44/48/03/945444803.db2.gz VIEWJHBICXYJAV-KKUMJFAQSA-N 2 1 320.437 0.638 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001319592105 945625860 /nfs/dbraw/zinc/62/58/60/945625860.db2.gz GYBPHAIXOOIXSN-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001319592101 945626531 /nfs/dbraw/zinc/62/65/31/945626531.db2.gz GYBPHAIXOOIXSN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001278599797 945675177 /nfs/dbraw/zinc/67/51/77/945675177.db2.gz BSKYCJIOAMTPLM-HZPDHXFCSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1conc1C ZINC001321543357 946372821 /nfs/dbraw/zinc/37/28/21/946372821.db2.gz MLNQCQJKCGQTJD-DOMZBBRYSA-N 2 1 304.394 0.675 20 30 DCEDMP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001322156549 946593816 /nfs/dbraw/zinc/59/38/16/946593816.db2.gz LCMKSGWWYVRWFH-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001322156549 946593824 /nfs/dbraw/zinc/59/38/24/946593824.db2.gz LCMKSGWWYVRWFH-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001322156549 946593835 /nfs/dbraw/zinc/59/38/35/946593835.db2.gz LCMKSGWWYVRWFH-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001322156549 946593845 /nfs/dbraw/zinc/59/38/45/946593845.db2.gz LCMKSGWWYVRWFH-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546267 947867891 /nfs/dbraw/zinc/86/78/91/947867891.db2.gz IIUMIQXLQPHLRU-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186816537 947943327 /nfs/dbraw/zinc/94/33/27/947943327.db2.gz ABUZOPIOSIWYPH-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001326507776 948181580 /nfs/dbraw/zinc/18/15/80/948181580.db2.gz JXLXMMYAXASMBL-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)O2 ZINC001327365407 948479861 /nfs/dbraw/zinc/47/98/61/948479861.db2.gz SNDLZGZNZMGIAK-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)O2 ZINC001327365407 948479866 /nfs/dbraw/zinc/47/98/66/948479866.db2.gz SNDLZGZNZMGIAK-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001273864621 948639980 /nfs/dbraw/zinc/63/99/80/948639980.db2.gz ZIGBZAWRVJVNBU-CABCVRRESA-N 2 1 321.465 0.587 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001273883359 948655452 /nfs/dbraw/zinc/65/54/52/948655452.db2.gz AHHOCVURUJDUFM-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001263820616 948765623 /nfs/dbraw/zinc/76/56/23/948765623.db2.gz CQVAVQARWJFJLG-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264077154 948867144 /nfs/dbraw/zinc/86/71/44/948867144.db2.gz UONKEUGGMQJBQD-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264077154 948867154 /nfs/dbraw/zinc/86/71/54/948867154.db2.gz UONKEUGGMQJBQD-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264077154 948867169 /nfs/dbraw/zinc/86/71/69/948867169.db2.gz UONKEUGGMQJBQD-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001264394393 948958591 /nfs/dbraw/zinc/95/85/91/948958591.db2.gz ZNPJFULNAXAOMI-TWMKSMIVSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001264394393 948958602 /nfs/dbraw/zinc/95/86/02/948958602.db2.gz ZNPJFULNAXAOMI-TWMKSMIVSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001264584238 949017517 /nfs/dbraw/zinc/01/75/17/949017517.db2.gz PBLBMQZJBRYOTK-UHFFFAOYSA-N 2 1 319.409 0.252 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001264666113 949062816 /nfs/dbraw/zinc/06/28/16/949062816.db2.gz DXVXVLCAVJLLFV-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001264666113 949062837 /nfs/dbraw/zinc/06/28/37/949062837.db2.gz DXVXVLCAVJLLFV-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001264666113 949062857 /nfs/dbraw/zinc/06/28/57/949062857.db2.gz DXVXVLCAVJLLFV-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001488744079 949186590 /nfs/dbraw/zinc/18/65/90/949186590.db2.gz OITKZYQBOPAVNQ-LXTVHRRPSA-N 2 1 316.405 0.647 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC[C@H](C)O)CC1 ZINC001329621988 949726196 /nfs/dbraw/zinc/72/61/96/949726196.db2.gz ATGKSCHCRCOTAG-CVEARBPZSA-N 2 1 323.481 0.929 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265707923 949887724 /nfs/dbraw/zinc/88/77/24/949887724.db2.gz HDFZBXPTZOKYFM-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265707923 949887744 /nfs/dbraw/zinc/88/77/44/949887744.db2.gz HDFZBXPTZOKYFM-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490280503 950496571 /nfs/dbraw/zinc/49/65/71/950496571.db2.gz ZYQKHSOOZYMXEZ-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001490280503 950496584 /nfs/dbraw/zinc/49/65/84/950496584.db2.gz ZYQKHSOOZYMXEZ-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001490280503 950496601 /nfs/dbraw/zinc/49/66/01/950496601.db2.gz ZYQKHSOOZYMXEZ-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001490420697 950683943 /nfs/dbraw/zinc/68/39/43/950683943.db2.gz CRNRFJJTVSUCTN-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490558531 950872486 /nfs/dbraw/zinc/87/24/86/950872486.db2.gz IAHNXNCONSSYEG-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490558531 950872497 /nfs/dbraw/zinc/87/24/97/950872497.db2.gz IAHNXNCONSSYEG-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001280619069 950991397 /nfs/dbraw/zinc/99/13/97/950991397.db2.gz GNLSVGQPHPIFOT-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCN(C(=O)C1CN(C)CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000886573456 951303418 /nfs/dbraw/zinc/30/34/18/951303418.db2.gz JEPJNXJGFYZWOS-UHFFFAOYSA-N 2 1 306.454 0.036 20 30 DCEDMP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274134191 951440748 /nfs/dbraw/zinc/44/07/48/951440748.db2.gz QELYZWXILRZILG-GEXIGZQTSA-N 2 1 308.426 0.035 20 30 DCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001281618529 951562957 /nfs/dbraw/zinc/56/29/57/951562957.db2.gz MZUAWQSYZKPOFA-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001281675561 951596419 /nfs/dbraw/zinc/59/64/19/951596419.db2.gz MLBARDASHVOFCW-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#CCOC)[C@@H](C)C1 ZINC001281687376 951598124 /nfs/dbraw/zinc/59/81/24/951598124.db2.gz XOWFEDFQCFVJTN-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC#CCOC)[C@@H](C)C1 ZINC001281687376 951598131 /nfs/dbraw/zinc/59/81/31/951598131.db2.gz XOWFEDFQCFVJTN-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)[C@@H](C)C1 ZINC001281687376 951598137 /nfs/dbraw/zinc/59/81/37/951598137.db2.gz XOWFEDFQCFVJTN-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001332517379 951676631 /nfs/dbraw/zinc/67/66/31/951676631.db2.gz PUOZYHCGSNQTCK-OAHLLOKOSA-N 2 1 309.458 0.541 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001275368918 952087283 /nfs/dbraw/zinc/08/72/83/952087283.db2.gz IAJZZUJVTBDUMI-AWEZNQCLSA-N 2 1 306.410 0.716 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001275559265 952262648 /nfs/dbraw/zinc/26/26/48/952262648.db2.gz IVWYNQRVFXDFRQ-DOMZBBRYSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CCN(C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001275559265 952262654 /nfs/dbraw/zinc/26/26/54/952262654.db2.gz IVWYNQRVFXDFRQ-DOMZBBRYSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001275560665 952263256 /nfs/dbraw/zinc/26/32/56/952263256.db2.gz SDRKCBNJIRTTGH-AWEZNQCLSA-N 2 1 305.426 0.518 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001340219923 953155359 /nfs/dbraw/zinc/15/53/59/953155359.db2.gz OUUHZAIMJJDEFW-AWEZNQCLSA-N 2 1 310.442 0.339 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001281968807 953434403 /nfs/dbraw/zinc/43/44/03/953434403.db2.gz PDSRZKDERUWRAZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001281968807 953434409 /nfs/dbraw/zinc/43/44/09/953434409.db2.gz PDSRZKDERUWRAZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001281968807 953434414 /nfs/dbraw/zinc/43/44/14/953434414.db2.gz PDSRZKDERUWRAZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001281968807 953434421 /nfs/dbraw/zinc/43/44/21/953434421.db2.gz PDSRZKDERUWRAZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001316618140 953522623 /nfs/dbraw/zinc/52/26/23/953522623.db2.gz OVUAUJWQYDUKIZ-NXOAAHMSSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001316618140 953522632 /nfs/dbraw/zinc/52/26/32/953522632.db2.gz OVUAUJWQYDUKIZ-NXOAAHMSSA-N 2 1 321.465 0.729 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001282289709 953537961 /nfs/dbraw/zinc/53/79/61/953537961.db2.gz XXLBWJMENUCBHQ-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001282530403 953617382 /nfs/dbraw/zinc/61/73/82/953617382.db2.gz SHOGSYWXXAZKQC-UHFFFAOYSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001282909355 953749628 /nfs/dbraw/zinc/74/96/28/953749628.db2.gz ABLFSFMDVDITFW-GJZGRUSLSA-N 2 1 304.394 0.420 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001283032747 953939106 /nfs/dbraw/zinc/93/91/06/953939106.db2.gz QSBNIAIZHHVHPC-KBUPBQIOSA-N 2 1 322.453 0.256 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001480324460 955685930 /nfs/dbraw/zinc/68/59/30/955685930.db2.gz PHIVDWWGKASQPW-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001480324460 955685942 /nfs/dbraw/zinc/68/59/42/955685942.db2.gz PHIVDWWGKASQPW-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316763680 960316845 /nfs/dbraw/zinc/31/68/45/960316845.db2.gz SIMMZYJUKCBGEY-INIZCTEOSA-N 2 1 309.454 0.921 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](CC)CCO)C2)CC1 ZINC001316746311 960362478 /nfs/dbraw/zinc/36/24/78/960362478.db2.gz AKZRVKCWGZAEPR-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001379460404 962975667 /nfs/dbraw/zinc/97/56/67/962975667.db2.gz GNPYVSTXJKBLHB-BXUZGUMPSA-N 2 1 322.434 0.281 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001394744289 994094607 /nfs/dbraw/zinc/09/46/07/994094607.db2.gz UCACACUTRGFTSS-FRRDWIJNSA-N 2 1 303.834 0.488 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001502670117 1016017115 /nfs/dbraw/zinc/01/71/15/1016017115.db2.gz LTQJTKXEJUSBLO-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001502670117 1016017126 /nfs/dbraw/zinc/01/71/26/1016017126.db2.gz LTQJTKXEJUSBLO-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001502720939 1016040721 /nfs/dbraw/zinc/04/07/21/1016040721.db2.gz KMISCQDHHDWVSS-DZGCQCFKSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001502846467 1016101042 /nfs/dbraw/zinc/10/10/42/1016101042.db2.gz CYGFJXHDVRDHLG-UHFFFAOYSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001502846467 1016101044 /nfs/dbraw/zinc/10/10/44/1016101044.db2.gz CYGFJXHDVRDHLG-UHFFFAOYSA-N 2 1 308.470 0.733 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001503015598 1016147337 /nfs/dbraw/zinc/14/73/37/1016147337.db2.gz VKKMDSUJFQQBIV-GOEBONIOSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001503015598 1016147346 /nfs/dbraw/zinc/14/73/46/1016147346.db2.gz VKKMDSUJFQQBIV-GOEBONIOSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001505443550 1016249570 /nfs/dbraw/zinc/24/95/70/1016249570.db2.gz LZHVDJOHWPGXBL-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001507320267 1016249902 /nfs/dbraw/zinc/24/99/02/1016249902.db2.gz WGAATJFDECIWJY-STQMWFEESA-N 2 1 304.394 0.952 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001442337093 1009193402 /nfs/dbraw/zinc/19/34/02/1009193402.db2.gz LZYQBNKAOZLGOP-CHWSQXEVSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001442337093 1009193403 /nfs/dbraw/zinc/19/34/03/1009193403.db2.gz LZYQBNKAOZLGOP-CHWSQXEVSA-N 2 1 303.834 0.944 20 30 DCEDMP C#CCC[NH+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC001559721828 1012428894 /nfs/dbraw/zinc/42/88/94/1012428894.db2.gz AUSCECPJDPRTOW-UHFFFAOYSA-N 2 1 320.481 0.616 20 30 DCEDMP COCC#CCN1CC([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001506656275 1017441215 /nfs/dbraw/zinc/44/12/15/1017441215.db2.gz RLMSOZUANWPBDA-GJZGRUSLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001506656275 1017441230 /nfs/dbraw/zinc/44/12/30/1017441230.db2.gz RLMSOZUANWPBDA-GJZGRUSLSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCC=C)CC1 ZINC001479932039 1017994466 /nfs/dbraw/zinc/99/44/66/1017994466.db2.gz RTSJSKAZWYFMKS-KRWDZBQOSA-N 2 1 318.465 0.394 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCC=C)CC1 ZINC001479932039 1017994476 /nfs/dbraw/zinc/99/44/76/1017994476.db2.gz RTSJSKAZWYFMKS-KRWDZBQOSA-N 2 1 318.465 0.394 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001479939702 1018010306 /nfs/dbraw/zinc/01/03/06/1018010306.db2.gz DXTGBKAEIAUKRA-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001479939702 1018010315 /nfs/dbraw/zinc/01/03/15/1018010315.db2.gz DXTGBKAEIAUKRA-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001479967859 1018069080 /nfs/dbraw/zinc/06/90/80/1018069080.db2.gz OMGOZCIHAJVDCV-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H](NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001479967859 1018069094 /nfs/dbraw/zinc/06/90/94/1018069094.db2.gz OMGOZCIHAJVDCV-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001479967859 1018069100 /nfs/dbraw/zinc/06/91/00/1018069100.db2.gz OMGOZCIHAJVDCV-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001479967859 1018069111 /nfs/dbraw/zinc/06/91/11/1018069111.db2.gz OMGOZCIHAJVDCV-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500401491 1018440750 /nfs/dbraw/zinc/44/07/50/1018440750.db2.gz FYDCRDCBUAQAGP-WBVHZDCISA-N 2 1 309.454 0.969 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001501140114 1018917303 /nfs/dbraw/zinc/91/73/03/1018917303.db2.gz QVOCORDOLPKCQA-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001501193808 1018939279 /nfs/dbraw/zinc/93/92/79/1018939279.db2.gz QVBFYCQYNSQAEA-KRWDZBQOSA-N 2 1 315.417 0.569 20 30 DCEDMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001501193808 1018939288 /nfs/dbraw/zinc/93/92/88/1018939288.db2.gz QVBFYCQYNSQAEA-KRWDZBQOSA-N 2 1 315.417 0.569 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001501577543 1019302727 /nfs/dbraw/zinc/30/27/27/1019302727.db2.gz ARIPTSVCPRJJNR-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001502064945 1019677218 /nfs/dbraw/zinc/67/72/18/1019677218.db2.gz VEEDTIVYEOCWBX-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001496921683 1019760508 /nfs/dbraw/zinc/76/05/08/1019760508.db2.gz AGOCKMHTXRMXSR-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP Cc1ccc([C@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264106911 238190796 /nfs/dbraw/zinc/19/07/96/238190796.db2.gz PVTGDBQNLANCCE-MRXNPFEDSA-N 2 1 320.437 0.655 20 30 DCEDMP COc1ncccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264067162 533250534 /nfs/dbraw/zinc/25/05/34/533250534.db2.gz BRUYUGCOLVCMKV-UHFFFAOYSA-N 2 1 307.398 0.217 20 30 DCEDMP C#CCN1CCN(C(=O)CN2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000490936612 397499078 /nfs/dbraw/zinc/49/90/78/397499078.db2.gz RBDJZYIVANZWFG-UHFFFAOYSA-N 2 1 318.465 0.324 20 30 DCEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000491120722 397500053 /nfs/dbraw/zinc/50/00/53/397500053.db2.gz NARYLHXTTJFTIS-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C[NH+]=C(NCCn1ccnc1C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261769848 416335454 /nfs/dbraw/zinc/33/54/54/416335454.db2.gz NWWNTBJMRNYLDC-DOMZBBRYSA-N 2 1 304.442 0.839 20 30 DCEDMP C[NH+]=C(NCCCN1CCC[N@@H+](C)CC1)NCc1ccco1 ZINC000264057440 416338938 /nfs/dbraw/zinc/33/89/38/416338938.db2.gz ONFOONCWZINESG-UHFFFAOYSA-N 2 1 307.442 0.972 20 30 DCEDMP C[NH+]=C(NCCC[N@@H+]1CCCN(C)CC1)NCc1ccco1 ZINC000264057440 416338939 /nfs/dbraw/zinc/33/89/39/416338939.db2.gz ONFOONCWZINESG-UHFFFAOYSA-N 2 1 307.442 0.972 20 30 DCEDMP C[NH+]=C(NCCC[N@H+]1CCCN(C)CC1)NCc1ccco1 ZINC000264057440 416338940 /nfs/dbraw/zinc/33/89/40/416338940.db2.gz ONFOONCWZINESG-UHFFFAOYSA-N 2 1 307.442 0.972 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000420314263 416418616 /nfs/dbraw/zinc/41/86/16/416418616.db2.gz QLALPHZFGPPWAN-UONOGXRCSA-N 2 1 308.426 0.093 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000420314263 416418618 /nfs/dbraw/zinc/41/86/18/416418618.db2.gz QLALPHZFGPPWAN-UONOGXRCSA-N 2 1 308.426 0.093 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000491438259 416599828 /nfs/dbraw/zinc/59/98/28/416599828.db2.gz AYHSJXHMVVMCBJ-INIZCTEOSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000491438259 416599833 /nfs/dbraw/zinc/59/98/33/416599833.db2.gz AYHSJXHMVVMCBJ-INIZCTEOSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000491728415 416620643 /nfs/dbraw/zinc/62/06/43/416620643.db2.gz MLBBJRJBNJAFHK-UHFFFAOYSA-N 2 1 324.469 0.742 20 30 DCEDMP C=CC[C@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCC[NH2+]1 ZINC000662756240 417891937 /nfs/dbraw/zinc/89/19/37/417891937.db2.gz ILGVYDXRQHVGNJ-SJLPKXTDSA-N 2 1 320.481 0.923 20 30 DCEDMP C(#CC[N@H+]1CC[C@H]2COC[C@@H]2C1)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037513 418377128 /nfs/dbraw/zinc/37/71/28/418377128.db2.gz UGKWLIMLUIPMJO-MHORFTMASA-N 2 1 304.434 0.926 20 30 DCEDMP C(#CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1)C[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000662037513 418377129 /nfs/dbraw/zinc/37/71/29/418377129.db2.gz UGKWLIMLUIPMJO-MHORFTMASA-N 2 1 304.434 0.926 20 30 DCEDMP C(#CC[N@H+]1CC[C@@H]2COC[C@@H]2C1)C[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000662037513 418377131 /nfs/dbraw/zinc/37/71/31/418377131.db2.gz UGKWLIMLUIPMJO-MHORFTMASA-N 2 1 304.434 0.926 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000352906633 336375941 /nfs/dbraw/zinc/37/59/41/336375941.db2.gz CUHCJKBIFMHXDL-CQSZACIVSA-N 2 1 310.442 0.345 20 30 DCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000564081914 337451290 /nfs/dbraw/zinc/45/12/90/337451290.db2.gz NRGWFCDHNDLAIV-RRFJBIMHSA-N 2 1 308.426 0.767 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000131707209 341109329 /nfs/dbraw/zinc/10/93/29/341109329.db2.gz NELWWOFUZLVKOV-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001567442969 1160369083 /nfs/dbraw/zinc/36/90/83/1160369083.db2.gz QTYBAFUDHZTGOT-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001567442969 1160369090 /nfs/dbraw/zinc/36/90/90/1160369090.db2.gz QTYBAFUDHZTGOT-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001567442969 1160369097 /nfs/dbraw/zinc/36/90/97/1160369097.db2.gz QTYBAFUDHZTGOT-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001567849141 1160499064 /nfs/dbraw/zinc/49/90/64/1160499064.db2.gz SVDKQWURTJTLHR-GASCZTMLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCO)C1 ZINC001569714757 1161204440 /nfs/dbraw/zinc/20/44/40/1161204440.db2.gz FIDWMLZLNVDVLF-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCO)C1 ZINC001569714757 1161204442 /nfs/dbraw/zinc/20/44/42/1161204442.db2.gz FIDWMLZLNVDVLF-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCO)C1 ZINC001569714757 1161204433 /nfs/dbraw/zinc/20/44/33/1161204433.db2.gz FIDWMLZLNVDVLF-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCO)C1 ZINC001569714757 1161204436 /nfs/dbraw/zinc/20/44/36/1161204436.db2.gz FIDWMLZLNVDVLF-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](COC)C1 ZINC000262808062 526378431 /nfs/dbraw/zinc/37/84/31/526378431.db2.gz SVNWTTKPKVYZDT-DZGCQCFKSA-N 2 1 314.499 0.967 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000377370994 526925698 /nfs/dbraw/zinc/92/56/98/526925698.db2.gz BBAJHBZUWMDSLA-JKSUJKDBSA-N 2 1 305.422 0.311 20 30 DCEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(C(C)=O)CC1 ZINC000263266102 528807904 /nfs/dbraw/zinc/80/79/04/528807904.db2.gz VENXKNJYMUICPH-UHFFFAOYSA-N 2 1 306.414 0.321 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)NC[C@]1(C)CCCO1 ZINC000261708128 528810848 /nfs/dbraw/zinc/81/08/48/528810848.db2.gz GZDLOJWNKFPIQF-ZBFHGGJFSA-N 2 1 311.474 0.356 20 30 DCEDMP CC[NH+]=C(NCc1cnn(C)c1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261968322 528818884 /nfs/dbraw/zinc/81/88/84/528818884.db2.gz MBAWRASRTTUGDQ-SWLSCSKDSA-N 2 1 304.442 0.958 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCN(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001664781389 1174458218 /nfs/dbraw/zinc/45/82/18/1174458218.db2.gz LJTAPTACPRHVGJ-UHFFFAOYSA-N 2 1 310.486 0.980 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)C[C@@H](C)O)C2)CC1 ZINC001027693571 660626177 /nfs/dbraw/zinc/62/61/77/660626177.db2.gz GAGXEKWZSJXFSF-WBVHZDCISA-N 2 1 321.465 0.635 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC000980454780 660945478 /nfs/dbraw/zinc/94/54/78/660945478.db2.gz YZURQBBRNUHCEV-HZPDHXFCSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037511 661094349 /nfs/dbraw/zinc/09/43/49/661094349.db2.gz ZITVLYAGHIPDKI-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037511 661094352 /nfs/dbraw/zinc/09/43/52/661094352.db2.gz ZITVLYAGHIPDKI-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037511 661094354 /nfs/dbraw/zinc/09/43/54/661094354.db2.gz ZITVLYAGHIPDKI-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971677403 657551886 /nfs/dbraw/zinc/55/18/86/657551886.db2.gz KFQGSIVYTNNWRD-JKSUJKDBSA-N 2 1 319.453 0.922 20 30 DCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971677403 657551892 /nfs/dbraw/zinc/55/18/92/657551892.db2.gz KFQGSIVYTNNWRD-JKSUJKDBSA-N 2 1 319.453 0.922 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023550904 657978146 /nfs/dbraw/zinc/97/81/46/657978146.db2.gz PPJWYYOOUVPEJT-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550904 657978149 /nfs/dbraw/zinc/97/81/49/657978149.db2.gz PPJWYYOOUVPEJT-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550904 657978152 /nfs/dbraw/zinc/97/81/52/657978152.db2.gz PPJWYYOOUVPEJT-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552283 657981879 /nfs/dbraw/zinc/98/18/79/657981879.db2.gz CMOAXAYIQWTJMN-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552283 657981891 /nfs/dbraw/zinc/98/18/91/657981891.db2.gz CMOAXAYIQWTJMN-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023552283 657981896 /nfs/dbraw/zinc/98/18/96/657981896.db2.gz CMOAXAYIQWTJMN-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673191 658222263 /nfs/dbraw/zinc/22/22/63/658222263.db2.gz DYQOLSUVWILBGZ-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673191 658222270 /nfs/dbraw/zinc/22/22/70/658222270.db2.gz DYQOLSUVWILBGZ-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673191 658222277 /nfs/dbraw/zinc/22/22/77/658222277.db2.gz DYQOLSUVWILBGZ-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972673191 658222283 /nfs/dbraw/zinc/22/22/83/658222283.db2.gz DYQOLSUVWILBGZ-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972673191 658222291 /nfs/dbraw/zinc/22/22/91/658222291.db2.gz DYQOLSUVWILBGZ-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972674784 658226889 /nfs/dbraw/zinc/22/68/89/658226889.db2.gz SRFKTWMIXPTWCL-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972674784 658226899 /nfs/dbraw/zinc/22/68/99/658226899.db2.gz SRFKTWMIXPTWCL-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972674784 658226909 /nfs/dbraw/zinc/22/69/09/658226909.db2.gz SRFKTWMIXPTWCL-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972674784 658226919 /nfs/dbraw/zinc/22/69/19/658226919.db2.gz SRFKTWMIXPTWCL-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000972314340 658555123 /nfs/dbraw/zinc/55/51/23/658555123.db2.gz CNQMLFZKVJOMGI-DOTOQJQBSA-N 2 1 323.437 0.196 20 30 DCEDMP C=CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000972314340 658555132 /nfs/dbraw/zinc/55/51/32/658555132.db2.gz CNQMLFZKVJOMGI-DOTOQJQBSA-N 2 1 323.437 0.196 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007493992 659135240 /nfs/dbraw/zinc/13/52/40/659135240.db2.gz WOPFFGKPFCVMNG-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007493992 659135241 /nfs/dbraw/zinc/13/52/41/659135241.db2.gz WOPFFGKPFCVMNG-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007493992 659135242 /nfs/dbraw/zinc/13/52/42/659135242.db2.gz WOPFFGKPFCVMNG-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007493992 659135243 /nfs/dbraw/zinc/13/52/43/659135243.db2.gz WOPFFGKPFCVMNG-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH2+]C1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001026518997 659378368 /nfs/dbraw/zinc/37/83/68/659378368.db2.gz UPGSKBGXZUEBJH-UHFFFAOYSA-N 2 1 304.394 1.000 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cncc3C)C[C@@]2(C)C1 ZINC000982374777 661382882 /nfs/dbraw/zinc/38/28/82/661382882.db2.gz SWKRMQBOWGXGHQ-CALCHBBNSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374777 661382887 /nfs/dbraw/zinc/38/28/87/661382887.db2.gz SWKRMQBOWGXGHQ-CALCHBBNSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941551650 666019056 /nfs/dbraw/zinc/01/90/56/666019056.db2.gz CGCJPUCBXAAWMG-QGZVFWFLSA-N 2 1 320.481 0.424 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698836 661765240 /nfs/dbraw/zinc/76/52/40/661765240.db2.gz QPXKFRMFTBHTNI-UERKLNTKSA-N 2 1 317.433 0.311 20 30 DCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896176 661876774 /nfs/dbraw/zinc/87/67/74/661876774.db2.gz LJWGDVPANJSXBJ-CQSZACIVSA-N 2 1 309.373 0.952 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896176 661876777 /nfs/dbraw/zinc/87/67/77/661876777.db2.gz LJWGDVPANJSXBJ-CQSZACIVSA-N 2 1 309.373 0.952 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000947319507 662509210 /nfs/dbraw/zinc/50/92/10/662509210.db2.gz SGMISPZHRONAIM-LSDHHAIUSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000714805 665920946 /nfs/dbraw/zinc/92/09/46/665920946.db2.gz NDNSZWCUEYSTSY-SJORKVTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000714805 665920947 /nfs/dbraw/zinc/92/09/47/665920947.db2.gz NDNSZWCUEYSTSY-SJORKVTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000714805 665920949 /nfs/dbraw/zinc/92/09/49/665920949.db2.gz NDNSZWCUEYSTSY-SJORKVTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000714796 665921013 /nfs/dbraw/zinc/92/10/13/665921013.db2.gz NDNSZWCUEYSTSY-IAGOWNOFSA-N 2 1 317.433 0.621 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000714796 665921014 /nfs/dbraw/zinc/92/10/14/665921014.db2.gz NDNSZWCUEYSTSY-IAGOWNOFSA-N 2 1 317.433 0.621 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000714796 665921015 /nfs/dbraw/zinc/92/10/15/665921015.db2.gz NDNSZWCUEYSTSY-IAGOWNOFSA-N 2 1 317.433 0.621 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900605314 663260169 /nfs/dbraw/zinc/26/01/69/663260169.db2.gz IUELRWVWAQTREF-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000913519164 664337642 /nfs/dbraw/zinc/33/76/42/664337642.db2.gz QGUNDSRKDXHVFC-INIZCTEOSA-N 2 1 300.406 0.727 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621613 664914418 /nfs/dbraw/zinc/91/44/18/664914418.db2.gz HMFPTGQTBZLUFI-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621613 664914420 /nfs/dbraw/zinc/91/44/20/664914420.db2.gz HMFPTGQTBZLUFI-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941638918 666033308 /nfs/dbraw/zinc/03/33/08/666033308.db2.gz JIQDXQGZCRGENE-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941638918 666033310 /nfs/dbraw/zinc/03/33/10/666033310.db2.gz JIQDXQGZCRGENE-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691170633 1157604671 /nfs/dbraw/zinc/60/46/71/1157604671.db2.gz DSBXZLXJWPXIDD-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001032837213 666288872 /nfs/dbraw/zinc/28/88/72/666288872.db2.gz LKJNVPFNIBMNKC-ZACQAIPSSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004378466 666527140 /nfs/dbraw/zinc/52/71/40/666527140.db2.gz GDLGSQSYGTXKKD-IRXDYDNUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004378466 666527143 /nfs/dbraw/zinc/52/71/43/666527143.db2.gz GDLGSQSYGTXKKD-IRXDYDNUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004378466 666527145 /nfs/dbraw/zinc/52/71/45/666527145.db2.gz GDLGSQSYGTXKKD-IRXDYDNUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004378466 666527148 /nfs/dbraw/zinc/52/71/48/666527148.db2.gz GDLGSQSYGTXKKD-IRXDYDNUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000945184230 666580410 /nfs/dbraw/zinc/58/04/10/666580410.db2.gz VVZIMNJWMDYYIP-GOEBONIOSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000945184234 666580629 /nfs/dbraw/zinc/58/06/29/666580629.db2.gz VVZIMNJWMDYYIP-ZBFHGGJFSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490382 666730993 /nfs/dbraw/zinc/73/09/93/666730993.db2.gz RIUAEDWCNBERAU-MRXNPFEDSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001034044711 666906119 /nfs/dbraw/zinc/90/61/19/666906119.db2.gz DMWWKTDOASENOX-NVXWUHKLSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032409328 667186881 /nfs/dbraw/zinc/18/68/81/667186881.db2.gz KYASLILXWLUVFH-GJZGRUSLSA-N 2 1 317.437 0.920 20 30 DCEDMP C=CCOC(=O)[C@@H](N)CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000884180250 667491236 /nfs/dbraw/zinc/49/12/36/667491236.db2.gz RBBYVXPAPWSUML-KGLIPLIRSA-N 2 1 311.426 0.814 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)CN2CCOCC2)C1 ZINC000923557373 667563510 /nfs/dbraw/zinc/56/35/10/667563510.db2.gz MCFYUPAWYDBIJH-IRVMHKCDSA-N 2 1 305.422 0.479 20 30 DCEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)c1 ZINC000872257152 667883186 /nfs/dbraw/zinc/88/31/86/667883186.db2.gz LWUKVPDYZPRCND-OWCLPIDISA-N 2 1 312.373 0.925 20 30 DCEDMP C#C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCO1 ZINC000839564247 668117301 /nfs/dbraw/zinc/11/73/01/668117301.db2.gz PCOHVWLCLKFZIK-HZPDHXFCSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000890364090 668120334 /nfs/dbraw/zinc/12/03/34/668120334.db2.gz WEHJLSXDSHOFLC-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000890364090 668120335 /nfs/dbraw/zinc/12/03/35/668120335.db2.gz WEHJLSXDSHOFLC-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000890364090 668120336 /nfs/dbraw/zinc/12/03/36/668120336.db2.gz WEHJLSXDSHOFLC-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000890364090 668120338 /nfs/dbraw/zinc/12/03/38/668120338.db2.gz WEHJLSXDSHOFLC-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926153184 668380214 /nfs/dbraw/zinc/38/02/14/668380214.db2.gz MROBEAYWCTYFLZ-AIANPOQGSA-N 2 1 309.454 0.700 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000876781889 668510257 /nfs/dbraw/zinc/51/02/57/668510257.db2.gz KTPMEEWSEDXMSA-JSGCOSHPSA-N 2 1 316.877 0.846 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000878865124 668942791 /nfs/dbraw/zinc/94/27/91/668942791.db2.gz SOBWRJDEPOWANH-UHFFFAOYSA-N 2 1 318.465 0.182 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)CC1 ZINC000791259292 669600194 /nfs/dbraw/zinc/60/01/94/669600194.db2.gz OMEHFACICVZTBO-JKSUJKDBSA-N 2 1 307.413 0.976 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#C)[C@@H](C)C2)CC1 ZINC000948070189 670053578 /nfs/dbraw/zinc/05/35/78/670053578.db2.gz NNTUHTKZBJWUDA-DOTOQJQBSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000948069314 670053623 /nfs/dbraw/zinc/05/36/23/670053623.db2.gz FTVCLKOVECHDJY-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001755152690 1157961419 /nfs/dbraw/zinc/96/14/19/1157961419.db2.gz LFAWXEFHESRZEO-HNNXBMFYSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842776 670214343 /nfs/dbraw/zinc/21/43/43/670214343.db2.gz UVJJIIQWRTUUMT-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842776 670214346 /nfs/dbraw/zinc/21/43/46/670214346.db2.gz UVJJIIQWRTUUMT-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP C#C[C@@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000854776282 670630916 /nfs/dbraw/zinc/63/09/16/670630916.db2.gz DDAZJFWJDWWAIK-HNNXBMFYSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852360023 671122075 /nfs/dbraw/zinc/12/20/75/671122075.db2.gz SHTYVVSSWRDANB-INIZCTEOSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CCC[N@@H+](CCOC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000852751445 671156273 /nfs/dbraw/zinc/15/62/73/671156273.db2.gz CTUOACHIZGCHFO-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](CCOC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000852751445 671156276 /nfs/dbraw/zinc/15/62/76/671156276.db2.gz CTUOACHIZGCHFO-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000852867883 671180037 /nfs/dbraw/zinc/18/00/37/671180037.db2.gz GDNLRAQYTFKWOJ-DLBZAZTESA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001020251523 693746687 /nfs/dbraw/zinc/74/66/87/693746687.db2.gz RAHXGSUSOISPKE-FPCVCCKLSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001020251523 693746690 /nfs/dbraw/zinc/74/66/90/693746690.db2.gz RAHXGSUSOISPKE-FPCVCCKLSA-N 2 1 305.422 0.357 20 30 DCEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000303789901 685206711 /nfs/dbraw/zinc/20/67/11/685206711.db2.gz VUJBALVQRWELGK-UHFFFAOYSA-N 2 1 307.398 0.217 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCC[NH+](C)CC1 ZINC000303977474 685209675 /nfs/dbraw/zinc/20/96/75/685209675.db2.gz LDQPSKXMTBFCML-MRXNPFEDSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303977474 685209680 /nfs/dbraw/zinc/20/96/80/685209680.db2.gz LDQPSKXMTBFCML-MRXNPFEDSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303977474 685209682 /nfs/dbraw/zinc/20/96/82/685209682.db2.gz LDQPSKXMTBFCML-MRXNPFEDSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCN(C)CC1 ZINC000303977474 685209685 /nfs/dbraw/zinc/20/96/85/685209685.db2.gz LDQPSKXMTBFCML-MRXNPFEDSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCN(C)CC1 ZINC000303977474 685209687 /nfs/dbraw/zinc/20/96/87/685209687.db2.gz LDQPSKXMTBFCML-MRXNPFEDSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303977474 685209689 /nfs/dbraw/zinc/20/96/89/685209689.db2.gz LDQPSKXMTBFCML-MRXNPFEDSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303977474 685209693 /nfs/dbraw/zinc/20/96/93/685209693.db2.gz LDQPSKXMTBFCML-MRXNPFEDSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[S@@](=O)C(C)(C)C ZINC000304752764 685211623 /nfs/dbraw/zinc/21/16/23/685211623.db2.gz KOOFRNBAEAZTQZ-MPBGBICISA-N 2 1 302.488 0.922 20 30 DCEDMP Cc1nc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)sc1C ZINC000304753304 685212296 /nfs/dbraw/zinc/21/22/96/685212296.db2.gz KYEGQHUMGULMBK-UHFFFAOYSA-N 2 1 311.455 0.887 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214154 687445216 /nfs/dbraw/zinc/44/52/16/687445216.db2.gz DUOTZGSFVHTMQR-CABCVRRESA-N 2 1 307.438 0.600 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958224180 687456309 /nfs/dbraw/zinc/45/63/09/687456309.db2.gz TXKKTMNSIHXAKJ-GOEBONIOSA-N 2 1 314.389 0.933 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374032 687597065 /nfs/dbraw/zinc/59/70/65/687597065.db2.gz LGZKCWMCRJEREZ-JKSUJKDBSA-N 2 1 309.454 0.703 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958598071 687785663 /nfs/dbraw/zinc/78/56/63/687785663.db2.gz HOXOZEZNHNLCIY-WFASDCNBSA-N 2 1 304.394 0.356 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC000958724797 687877301 /nfs/dbraw/zinc/87/73/01/687877301.db2.gz STJVNLSQPMSUOF-IRXDYDNUSA-N 2 1 319.449 0.151 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000960345523 688354893 /nfs/dbraw/zinc/35/48/93/688354893.db2.gz JWVDGASPIMINHD-XWTMOSNGSA-N 2 1 324.428 0.726 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC000960345523 688354898 /nfs/dbraw/zinc/35/48/98/688354898.db2.gz JWVDGASPIMINHD-XWTMOSNGSA-N 2 1 324.428 0.726 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962166475 688836605 /nfs/dbraw/zinc/83/66/05/688836605.db2.gz OALVQNXUZFINEE-FVQHAEBGSA-N 2 1 321.384 0.951 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962166475 688836609 /nfs/dbraw/zinc/83/66/09/688836609.db2.gz OALVQNXUZFINEE-FVQHAEBGSA-N 2 1 321.384 0.951 20 30 DCEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968408906 690255061 /nfs/dbraw/zinc/25/50/61/690255061.db2.gz HLTURZDLSIWZME-GOEBONIOSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968408906 690255066 /nfs/dbraw/zinc/25/50/66/690255066.db2.gz HLTURZDLSIWZME-GOEBONIOSA-N 2 1 317.437 0.518 20 30 DCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007991110 690783689 /nfs/dbraw/zinc/78/36/89/690783689.db2.gz RDKFUYNCBBHTBQ-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007991110 690783692 /nfs/dbraw/zinc/78/36/92/690783692.db2.gz RDKFUYNCBBHTBQ-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007991110 690783697 /nfs/dbraw/zinc/78/36/97/690783697.db2.gz RDKFUYNCBBHTBQ-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990595 690784407 /nfs/dbraw/zinc/78/44/07/690784407.db2.gz OTERQRFYVKJACT-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990595 690784410 /nfs/dbraw/zinc/78/44/10/690784410.db2.gz OTERQRFYVKJACT-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007990595 690784414 /nfs/dbraw/zinc/78/44/14/690784414.db2.gz OTERQRFYVKJACT-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007990595 690784418 /nfs/dbraw/zinc/78/44/18/690784418.db2.gz OTERQRFYVKJACT-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008830445 690931878 /nfs/dbraw/zinc/93/18/78/690931878.db2.gz XRJCJGGDZSPUJS-HNNXBMFYSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711633 692078642 /nfs/dbraw/zinc/07/86/42/692078642.db2.gz OZMZTBSMNUYVNM-GOEBONIOSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711633 692078644 /nfs/dbraw/zinc/07/86/44/692078644.db2.gz OZMZTBSMNUYVNM-GOEBONIOSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711633 692078646 /nfs/dbraw/zinc/07/86/46/692078646.db2.gz OZMZTBSMNUYVNM-GOEBONIOSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711633 692078648 /nfs/dbraw/zinc/07/86/48/692078648.db2.gz OZMZTBSMNUYVNM-GOEBONIOSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001016335601 692655386 /nfs/dbraw/zinc/65/53/86/692655386.db2.gz FEDPZPYGXBJKPW-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001017654859 692959562 /nfs/dbraw/zinc/95/95/62/692959562.db2.gz DYIUSHOPCNQXQH-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001017654859 692959566 /nfs/dbraw/zinc/95/95/66/692959566.db2.gz DYIUSHOPCNQXQH-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001017654859 692959570 /nfs/dbraw/zinc/95/95/70/692959570.db2.gz DYIUSHOPCNQXQH-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001017654859 692959572 /nfs/dbraw/zinc/95/95/72/692959572.db2.gz DYIUSHOPCNQXQH-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073443225 694727803 /nfs/dbraw/zinc/72/78/03/694727803.db2.gz GLERGDHOWPHBCP-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073443225 694727806 /nfs/dbraw/zinc/72/78/06/694727806.db2.gz GLERGDHOWPHBCP-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443225 694727807 /nfs/dbraw/zinc/72/78/07/694727807.db2.gz GLERGDHOWPHBCP-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443225 694727808 /nfs/dbraw/zinc/72/78/08/694727808.db2.gz GLERGDHOWPHBCP-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC2CC2)CCCO1 ZINC001073640231 694757760 /nfs/dbraw/zinc/75/77/60/694757760.db2.gz ZYHRPNOIRWETPX-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC2CC2)CCCO1 ZINC001073640231 694757761 /nfs/dbraw/zinc/75/77/61/694757761.db2.gz ZYHRPNOIRWETPX-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC2CC2)CCCO1 ZINC001073640231 694757762 /nfs/dbraw/zinc/75/77/62/694757762.db2.gz ZYHRPNOIRWETPX-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC2CC2)CCCO1 ZINC001073640231 694757763 /nfs/dbraw/zinc/75/77/63/694757763.db2.gz ZYHRPNOIRWETPX-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001077027987 695128385 /nfs/dbraw/zinc/12/83/85/695128385.db2.gz UOQJQZXWWPZBBF-ZJIFWQFVSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077027987 695128387 /nfs/dbraw/zinc/12/83/87/695128387.db2.gz UOQJQZXWWPZBBF-ZJIFWQFVSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077027987 695128389 /nfs/dbraw/zinc/12/83/89/695128389.db2.gz UOQJQZXWWPZBBF-ZJIFWQFVSA-N 2 1 309.454 0.844 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001570846109 1162632838 /nfs/dbraw/zinc/63/28/38/1162632838.db2.gz WHWNPNXXNWOPDY-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001570846109 1162632828 /nfs/dbraw/zinc/63/28/28/1162632828.db2.gz WHWNPNXXNWOPDY-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001571440421 1162756628 /nfs/dbraw/zinc/75/66/28/1162756628.db2.gz BJRDWCYFZMMESA-CABCVRRESA-N 2 1 320.437 0.787 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691196241 1157611096 /nfs/dbraw/zinc/61/10/96/1157611096.db2.gz IJPRMHRQSIRNQL-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691196241 1157611098 /nfs/dbraw/zinc/61/10/98/1157611098.db2.gz IJPRMHRQSIRNQL-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691196241 1157611099 /nfs/dbraw/zinc/61/10/99/1157611099.db2.gz IJPRMHRQSIRNQL-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCCO)C2CC2)CC1 ZINC001691236623 1157617570 /nfs/dbraw/zinc/61/75/70/1157617570.db2.gz IOYOGCDKAKNXSL-UHFFFAOYSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)CNC(=O)CC[NH+](C)C ZINC001746196295 1158303312 /nfs/dbraw/zinc/30/33/12/1158303312.db2.gz CJGPVYLQYWRCQT-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)CNC(=O)CC[NH+](C)C ZINC001746196295 1158303318 /nfs/dbraw/zinc/30/33/18/1158303318.db2.gz CJGPVYLQYWRCQT-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175728929 1158848078 /nfs/dbraw/zinc/84/80/78/1158848078.db2.gz HMDKASPRVDIXGG-MRXNPFEDSA-N 2 1 309.454 0.997 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001691730792 1158965292 /nfs/dbraw/zinc/96/52/92/1158965292.db2.gz MXSAIFYUDLRYTQ-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001566033332 1159949722 /nfs/dbraw/zinc/94/97/22/1159949722.db2.gz SGXAZMICRUDSGT-HNNXBMFYSA-N 2 1 309.454 0.942 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C[C@@H](C)OC)C1CC1 ZINC001567443389 1160368622 /nfs/dbraw/zinc/36/86/22/1160368622.db2.gz YJIAWSQHOHOSHY-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C[C@@H](C)OC)C1CC1 ZINC001567443389 1160368628 /nfs/dbraw/zinc/36/86/28/1160368628.db2.gz YJIAWSQHOHOSHY-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C[C@@H](C)OC)C1CC1 ZINC001567443389 1160368634 /nfs/dbraw/zinc/36/86/34/1160368634.db2.gz YJIAWSQHOHOSHY-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C[C@@H](C)OC)C1CC1 ZINC001567443389 1160368642 /nfs/dbraw/zinc/36/86/42/1160368642.db2.gz YJIAWSQHOHOSHY-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001567849141 1160499062 /nfs/dbraw/zinc/49/90/62/1160499062.db2.gz SVDKQWURTJTLHR-GASCZTMLSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920664 1160536411 /nfs/dbraw/zinc/53/64/11/1160536411.db2.gz JFUKVIJEVHASGZ-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920664 1160536419 /nfs/dbraw/zinc/53/64/19/1160536419.db2.gz JFUKVIJEVHASGZ-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001568646155 1160721694 /nfs/dbraw/zinc/72/16/94/1160721694.db2.gz NNZIAWNTEINGEO-ZIAGYGMSSA-N 2 1 310.442 0.257 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC#CCOC)CCC2)CC[N@H+]1C ZINC001570105345 1161423249 /nfs/dbraw/zinc/42/32/49/1161423249.db2.gz RBNZQCUQPUCLHW-JKSUJKDBSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC001574674249 1163741140 /nfs/dbraw/zinc/74/11/40/1163741140.db2.gz XCSADYFKWZCPSK-OAHLLOKOSA-N 2 1 304.438 0.869 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC001574674249 1163741144 /nfs/dbraw/zinc/74/11/44/1163741144.db2.gz XCSADYFKWZCPSK-OAHLLOKOSA-N 2 1 304.438 0.869 20 30 DCEDMP C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC001579440206 1165310516 /nfs/dbraw/zinc/31/05/16/1165310516.db2.gz PTWWKIDIWJXMJF-ZIAGYGMSSA-N 2 1 311.385 0.813 20 30 DCEDMP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC001580038208 1165480956 /nfs/dbraw/zinc/48/09/56/1165480956.db2.gz HJHVXGYRJAHNOU-GJZGRUSLSA-N 2 1 318.425 0.819 20 30 DCEDMP N#Cc1ccncc1N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001580081154 1165495036 /nfs/dbraw/zinc/49/50/36/1165495036.db2.gz VHUWQPQTUJTTCS-HNNXBMFYSA-N 2 1 313.405 0.596 20 30 DCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC[C@@H]21 ZINC001646151431 1172275482 /nfs/dbraw/zinc/27/54/82/1172275482.db2.gz HILLAIXOYUASMG-QVCPJDEESA-N 2 1 302.422 0.678 20 30 DCEDMP C[N@H+]1C[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C[C@]2(C)C1 ZINC001650413931 1173627961 /nfs/dbraw/zinc/62/79/61/1173627961.db2.gz FAEDFWXLFMZKPV-GMEKZAAPSA-N 2 1 302.422 0.536 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001660930962 1174071600 /nfs/dbraw/zinc/07/16/00/1174071600.db2.gz WTSYGFURHWPNKX-IRXDYDNUSA-N 2 1 320.481 0.923 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001662872421 1174249852 /nfs/dbraw/zinc/24/98/52/1174249852.db2.gz MQDHGGYZBAGHRZ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001662872421 1174249855 /nfs/dbraw/zinc/24/98/55/1174249855.db2.gz MQDHGGYZBAGHRZ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001662872421 1174249860 /nfs/dbraw/zinc/24/98/60/1174249860.db2.gz MQDHGGYZBAGHRZ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001663275987 1174282332 /nfs/dbraw/zinc/28/23/32/1174282332.db2.gz BKAOEGFCFFBVTK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001663275987 1174282337 /nfs/dbraw/zinc/28/23/37/1174282337.db2.gz BKAOEGFCFFBVTK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)C1=O ZINC001663275987 1174282340 /nfs/dbraw/zinc/28/23/40/1174282340.db2.gz BKAOEGFCFFBVTK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)C1=O ZINC001663275987 1174282346 /nfs/dbraw/zinc/28/23/46/1174282346.db2.gz BKAOEGFCFFBVTK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001665730250 1174557398 /nfs/dbraw/zinc/55/73/98/1174557398.db2.gz AZQLWQSBCTVMRY-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001665730250 1174557399 /nfs/dbraw/zinc/55/73/99/1174557399.db2.gz AZQLWQSBCTVMRY-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001671934805 1175046218 /nfs/dbraw/zinc/04/62/18/1175046218.db2.gz JGBBEXHMLGKDHB-UHFFFAOYSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001672663997 1175140239 /nfs/dbraw/zinc/14/02/39/1175140239.db2.gz DNAHNDZRNGFNTK-MRXNPFEDSA-N 2 1 309.454 0.542 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001673288003 1175185381 /nfs/dbraw/zinc/18/53/81/1175185381.db2.gz CSCBNWCXGLLPOV-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001675559973 1175372884 /nfs/dbraw/zinc/37/28/84/1175372884.db2.gz UVPKNCWTHPZCFC-FPCVCCKLSA-N 2 1 307.438 0.435 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001675559973 1175372891 /nfs/dbraw/zinc/37/28/91/1175372891.db2.gz UVPKNCWTHPZCFC-FPCVCCKLSA-N 2 1 307.438 0.435 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001675559973 1175372897 /nfs/dbraw/zinc/37/28/97/1175372897.db2.gz UVPKNCWTHPZCFC-FPCVCCKLSA-N 2 1 307.438 0.435 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001676966415 1175508111 /nfs/dbraw/zinc/50/81/11/1175508111.db2.gz XVSKYZSUMGPNCS-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001677157119 1175539622 /nfs/dbraw/zinc/53/96/22/1175539622.db2.gz RTSIOKQFEAZXBZ-CVEARBPZSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001677157119 1175539627 /nfs/dbraw/zinc/53/96/27/1175539627.db2.gz RTSIOKQFEAZXBZ-CVEARBPZSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001677157119 1175539632 /nfs/dbraw/zinc/53/96/32/1175539632.db2.gz RTSIOKQFEAZXBZ-CVEARBPZSA-N 2 1 309.454 0.634 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001691757266 1175654856 /nfs/dbraw/zinc/65/48/56/1175654856.db2.gz DMCVRXRBSHWUSY-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689820902 1177078144 /nfs/dbraw/zinc/07/81/44/1177078144.db2.gz HVCQVWSLPXAZQG-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001690068506 1177160231 /nfs/dbraw/zinc/16/02/31/1177160231.db2.gz OUKWQRMPAFKJRM-IYBDPMFKSA-N 2 1 321.469 0.507 20 30 DCEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001690068506 1177160233 /nfs/dbraw/zinc/16/02/33/1177160233.db2.gz OUKWQRMPAFKJRM-IYBDPMFKSA-N 2 1 321.469 0.507 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[N@H+](C)CCC)C2)C1=O ZINC001690255498 1177197786 /nfs/dbraw/zinc/19/77/86/1177197786.db2.gz PPNOQBVUHRQMTM-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001690708042 1177308853 /nfs/dbraw/zinc/30/88/53/1177308853.db2.gz IKGLZBKTLNGNFP-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1conc1C ZINC001698753354 1177636529 /nfs/dbraw/zinc/63/65/29/1177636529.db2.gz XPOIGMDAQISBDI-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1conc1C ZINC001698753354 1177636539 /nfs/dbraw/zinc/63/65/39/1177636539.db2.gz XPOIGMDAQISBDI-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1conc1C ZINC001698753355 1177637856 /nfs/dbraw/zinc/63/78/56/1177637856.db2.gz XPOIGMDAQISBDI-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1conc1C ZINC001698753355 1177637872 /nfs/dbraw/zinc/63/78/72/1177637872.db2.gz XPOIGMDAQISBDI-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001699823950 1178307073 /nfs/dbraw/zinc/30/70/73/1178307073.db2.gz BPJGTQUOZAYVAJ-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001699823950 1178307082 /nfs/dbraw/zinc/30/70/82/1178307082.db2.gz BPJGTQUOZAYVAJ-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001699823950 1178307091 /nfs/dbraw/zinc/30/70/91/1178307091.db2.gz BPJGTQUOZAYVAJ-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001699823950 1178307100 /nfs/dbraw/zinc/30/71/00/1178307100.db2.gz BPJGTQUOZAYVAJ-RHSMWYFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001700006992 1178425865 /nfs/dbraw/zinc/42/58/65/1178425865.db2.gz IAKHQWLBHWYHSY-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001700006992 1178425871 /nfs/dbraw/zinc/42/58/71/1178425871.db2.gz IAKHQWLBHWYHSY-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001700006992 1178425875 /nfs/dbraw/zinc/42/58/75/1178425875.db2.gz IAKHQWLBHWYHSY-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001700093034 1178476440 /nfs/dbraw/zinc/47/64/40/1178476440.db2.gz CNOYZLKGOHFNGW-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001700093034 1178476447 /nfs/dbraw/zinc/47/64/47/1178476447.db2.gz CNOYZLKGOHFNGW-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001700321401 1178581399 /nfs/dbraw/zinc/58/13/99/1178581399.db2.gz ZYQAJVDSTWLYCG-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001700321401 1178581400 /nfs/dbraw/zinc/58/14/00/1178581400.db2.gz ZYQAJVDSTWLYCG-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001700321401 1178581403 /nfs/dbraw/zinc/58/14/03/1178581403.db2.gz ZYQAJVDSTWLYCG-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001700321401 1178581406 /nfs/dbraw/zinc/58/14/06/1178581406.db2.gz ZYQAJVDSTWLYCG-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC#C)CC1 ZINC001700364354 1178596260 /nfs/dbraw/zinc/59/62/60/1178596260.db2.gz KDYPPLZUSQCFQY-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001700366287 1178597941 /nfs/dbraw/zinc/59/79/41/1178597941.db2.gz UJEFOLUENCXKIZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001700366287 1178597946 /nfs/dbraw/zinc/59/79/46/1178597946.db2.gz UJEFOLUENCXKIZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001700366287 1178597952 /nfs/dbraw/zinc/59/79/52/1178597952.db2.gz UJEFOLUENCXKIZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001700366287 1178597959 /nfs/dbraw/zinc/59/79/59/1178597959.db2.gz UJEFOLUENCXKIZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001700435801 1178615937 /nfs/dbraw/zinc/61/59/37/1178615937.db2.gz HNTUIAZXCMVHPH-UYSNPLJNSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001700435801 1178615938 /nfs/dbraw/zinc/61/59/38/1178615938.db2.gz HNTUIAZXCMVHPH-UYSNPLJNSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001700462753 1178623066 /nfs/dbraw/zinc/62/30/66/1178623066.db2.gz XXVQZBNIYHUZMM-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001700462753 1178623069 /nfs/dbraw/zinc/62/30/69/1178623069.db2.gz XXVQZBNIYHUZMM-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001700462753 1178623073 /nfs/dbraw/zinc/62/30/73/1178623073.db2.gz XXVQZBNIYHUZMM-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001700462753 1178623077 /nfs/dbraw/zinc/62/30/77/1178623077.db2.gz XXVQZBNIYHUZMM-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001700799683 1178752247 /nfs/dbraw/zinc/75/22/47/1178752247.db2.gz JKFHWMVASZDDHY-GFCCVEGCSA-N 2 1 308.382 0.137 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001700956473 1178832239 /nfs/dbraw/zinc/83/22/39/1178832239.db2.gz CJZVJXUHPIJBMH-OAHLLOKOSA-N 2 1 315.377 0.476 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001700963397 1178841034 /nfs/dbraw/zinc/84/10/34/1178841034.db2.gz CBVWZJVZADZXDD-HOTGVXAUSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001700963397 1178841042 /nfs/dbraw/zinc/84/10/42/1178841042.db2.gz CBVWZJVZADZXDD-HOTGVXAUSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001700963397 1178841053 /nfs/dbraw/zinc/84/10/53/1178841053.db2.gz CBVWZJVZADZXDD-HOTGVXAUSA-N 2 1 309.454 0.491 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001707254275 1180450314 /nfs/dbraw/zinc/45/03/14/1180450314.db2.gz AYBDYPMTXPPBNC-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001707254275 1180450316 /nfs/dbraw/zinc/45/03/16/1180450316.db2.gz AYBDYPMTXPPBNC-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001707254275 1180450318 /nfs/dbraw/zinc/45/03/18/1180450318.db2.gz AYBDYPMTXPPBNC-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](C(C)C)CC1 ZINC001713069018 1180660749 /nfs/dbraw/zinc/66/07/49/1180660749.db2.gz SKQDXXSVNQGWHR-KRWDZBQOSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](C(C)C)CC1 ZINC001713069018 1180660751 /nfs/dbraw/zinc/66/07/51/1180660751.db2.gz SKQDXXSVNQGWHR-KRWDZBQOSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cn(C)nc1C ZINC001713602204 1180958349 /nfs/dbraw/zinc/95/83/49/1180958349.db2.gz UBOUPRUCROGJRS-INIZCTEOSA-N 2 1 317.437 0.374 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001713751497 1181047379 /nfs/dbraw/zinc/04/73/79/1181047379.db2.gz WIFAIQOOXNMPTL-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001713751497 1181047385 /nfs/dbraw/zinc/04/73/85/1181047385.db2.gz WIFAIQOOXNMPTL-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001713751497 1181047391 /nfs/dbraw/zinc/04/73/91/1181047391.db2.gz WIFAIQOOXNMPTL-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001713751497 1181047396 /nfs/dbraw/zinc/04/73/96/1181047396.db2.gz WIFAIQOOXNMPTL-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714157332 1181267346 /nfs/dbraw/zinc/26/73/46/1181267346.db2.gz RUTSIOLGWBUMOE-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001714232642 1181288602 /nfs/dbraw/zinc/28/86/02/1181288602.db2.gz RLVNGJJTAXJRKC-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714278653 1181305253 /nfs/dbraw/zinc/30/52/53/1181305253.db2.gz NEDHIGFESXBDKO-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCCOC)C2)CC1 ZINC001714647062 1181458431 /nfs/dbraw/zinc/45/84/31/1181458431.db2.gz CHUSGUUYWWUAOM-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001715598067 1181886350 /nfs/dbraw/zinc/88/63/50/1181886350.db2.gz JAPNHEUWQDPVEO-IRXDYDNUSA-N 2 1 321.465 0.874 20 30 DCEDMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001715773558 1181988400 /nfs/dbraw/zinc/98/84/00/1181988400.db2.gz HHCSTBOKDJGUAE-ZDUSSCGKSA-N 2 1 303.834 0.898 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001716330249 1182338303 /nfs/dbraw/zinc/33/83/03/1182338303.db2.gz RTWVPTUSXFLXRC-QAMKJQMISA-N 2 1 308.426 0.033 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716492125 1182411597 /nfs/dbraw/zinc/41/15/97/1182411597.db2.gz KHTFZTBHELEVDQ-JYJNAYRXSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716492125 1182411601 /nfs/dbraw/zinc/41/16/01/1182411601.db2.gz KHTFZTBHELEVDQ-JYJNAYRXSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716492125 1182411603 /nfs/dbraw/zinc/41/16/03/1182411603.db2.gz KHTFZTBHELEVDQ-JYJNAYRXSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H]2CCOC2)CC1 ZINC001716685256 1182496119 /nfs/dbraw/zinc/49/61/19/1182496119.db2.gz VNTAAKRZAQGMFR-HOTGVXAUSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H]2CCOC2)CC1 ZINC001716685256 1182496121 /nfs/dbraw/zinc/49/61/21/1182496121.db2.gz VNTAAKRZAQGMFR-HOTGVXAUSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CCCC1 ZINC001716824206 1182535968 /nfs/dbraw/zinc/53/59/68/1182535968.db2.gz XMVWQXUUFROPOW-KRWDZBQOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001717202006 1182728745 /nfs/dbraw/zinc/72/87/45/1182728745.db2.gz MMGCJRHCGZDFSF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001717254457 1182751908 /nfs/dbraw/zinc/75/19/08/1182751908.db2.gz IIRHZGXRKKWNRZ-INIZCTEOSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001717264623 1182757327 /nfs/dbraw/zinc/75/73/27/1182757327.db2.gz KEFUSFQYEPUBIB-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001717337488 1182789856 /nfs/dbraw/zinc/78/98/56/1182789856.db2.gz LCQBPAKUKPRBKN-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001717942079 1183082081 /nfs/dbraw/zinc/08/20/81/1183082081.db2.gz JZHYNMSNSUPVBA-OAHLLOKOSA-N 2 1 308.426 0.909 20 30 DCEDMP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001717942079 1183082084 /nfs/dbraw/zinc/08/20/84/1183082084.db2.gz JZHYNMSNSUPVBA-OAHLLOKOSA-N 2 1 308.426 0.909 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001724669464 1184508715 /nfs/dbraw/zinc/50/87/15/1184508715.db2.gz KSCVCHGNWWUWSY-KRWDZBQOSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001724925033 1184623416 /nfs/dbraw/zinc/62/34/16/1184623416.db2.gz DKYZNUKUKSHKFJ-RRFJBIMHSA-N 2 1 322.453 0.352 20 30 DCEDMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001725234153 1184731096 /nfs/dbraw/zinc/73/10/96/1184731096.db2.gz LSBVLEIDWSJAHP-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001725234153 1184731100 /nfs/dbraw/zinc/73/11/00/1184731100.db2.gz LSBVLEIDWSJAHP-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC=C)CC1 ZINC001725724139 1184975827 /nfs/dbraw/zinc/97/58/27/1184975827.db2.gz NIJIINRIKDYXOS-MRXNPFEDSA-N 2 1 307.438 0.269 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001725754753 1184982876 /nfs/dbraw/zinc/98/28/76/1184982876.db2.gz IEHVFIPVWCNITH-LSDHHAIUSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001731508665 1185367421 /nfs/dbraw/zinc/36/74/21/1185367421.db2.gz OXUPUUJIVCPKNB-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001731829739 1185511796 /nfs/dbraw/zinc/51/17/96/1185511796.db2.gz CEXRGGHPIBCRQN-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001731829739 1185511803 /nfs/dbraw/zinc/51/18/03/1185511803.db2.gz CEXRGGHPIBCRQN-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001732042800 1185644098 /nfs/dbraw/zinc/64/40/98/1185644098.db2.gz ZAMMPWIDTRHFFO-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001732042800 1185644103 /nfs/dbraw/zinc/64/41/03/1185644103.db2.gz ZAMMPWIDTRHFFO-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001732042800 1185644105 /nfs/dbraw/zinc/64/41/05/1185644105.db2.gz ZAMMPWIDTRHFFO-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001732042800 1185644108 /nfs/dbraw/zinc/64/41/08/1185644108.db2.gz ZAMMPWIDTRHFFO-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001732058973 1185651621 /nfs/dbraw/zinc/65/16/21/1185651621.db2.gz DWKQYNBSRUEOCD-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001732175697 1185720389 /nfs/dbraw/zinc/72/03/89/1185720389.db2.gz KXSVUWBXZABZSC-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCNC(=O)CN1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001732186295 1185728377 /nfs/dbraw/zinc/72/83/77/1185728377.db2.gz RYXYNWMAQGACPE-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001732186295 1185728383 /nfs/dbraw/zinc/72/83/83/1185728383.db2.gz RYXYNWMAQGACPE-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001732186295 1185728386 /nfs/dbraw/zinc/72/83/86/1185728386.db2.gz RYXYNWMAQGACPE-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001732186295 1185728392 /nfs/dbraw/zinc/72/83/92/1185728392.db2.gz RYXYNWMAQGACPE-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001732186295 1185728398 /nfs/dbraw/zinc/72/83/98/1185728398.db2.gz RYXYNWMAQGACPE-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001732441575 1185818282 /nfs/dbraw/zinc/81/82/82/1185818282.db2.gz XGTHRITWXDGULD-CYBMUJFWSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001733486233 1186293978 /nfs/dbraw/zinc/29/39/78/1186293978.db2.gz GJIYNONFPITBAV-SFHVURJKSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733487381 1186295490 /nfs/dbraw/zinc/29/54/90/1186295490.db2.gz TZLUMSFSOBLPFS-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CCC=C)C2)CC1 ZINC001733511723 1186318430 /nfs/dbraw/zinc/31/84/30/1186318430.db2.gz SWNHUGHQPBXSFO-UHFFFAOYSA-N 2 1 305.422 0.071 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001733668868 1186395640 /nfs/dbraw/zinc/39/56/40/1186395640.db2.gz QNYJHHVEJVAJRY-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001733773339 1186442129 /nfs/dbraw/zinc/44/21/29/1186442129.db2.gz CZJJVRLDAKHFBB-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733773339 1186442132 /nfs/dbraw/zinc/44/21/32/1186442132.db2.gz CZJJVRLDAKHFBB-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001733773339 1186442135 /nfs/dbraw/zinc/44/21/35/1186442135.db2.gz CZJJVRLDAKHFBB-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001733919193 1186497802 /nfs/dbraw/zinc/49/78/02/1186497802.db2.gz VXFDXWKMUWDHNS-OAHLLOKOSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[N@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001734196599 1186576106 /nfs/dbraw/zinc/57/61/06/1186576106.db2.gz CGOKMFMFGBVCQV-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001734276438 1186601072 /nfs/dbraw/zinc/60/10/72/1186601072.db2.gz AKZFBGZWUCOOTL-UHFFFAOYSA-N 2 1 314.389 0.954 20 30 DCEDMP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001734423525 1186649360 /nfs/dbraw/zinc/64/93/60/1186649360.db2.gz ZBIKKGXGNRWMGU-DZGCQCFKSA-N 2 1 304.394 0.420 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001734521140 1186674894 /nfs/dbraw/zinc/67/48/94/1186674894.db2.gz HRUFLGSWLOFFLD-GFCCVEGCSA-N 2 1 310.398 0.335 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001750935372 1188359693 /nfs/dbraw/zinc/35/96/93/1188359693.db2.gz XMYYNNHOQZLJAY-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001752633446 1188430580 /nfs/dbraw/zinc/43/05/80/1188430580.db2.gz VHSBMHWNRNTASA-AIEDFZFUSA-N 2 1 322.453 0.254 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC#CCOC)C1 ZINC001753222839 1188540089 /nfs/dbraw/zinc/54/00/89/1188540089.db2.gz PHJQFKPZPKFHSD-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCOC)C1 ZINC001753439393 1188596487 /nfs/dbraw/zinc/59/64/87/1188596487.db2.gz MTXORYATKFMJMV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCOC)C1 ZINC001753439393 1188596490 /nfs/dbraw/zinc/59/64/90/1188596490.db2.gz MTXORYATKFMJMV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCOC)C1 ZINC001753439393 1188596494 /nfs/dbraw/zinc/59/64/94/1188596494.db2.gz MTXORYATKFMJMV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCOC)C1 ZINC001753439393 1188596497 /nfs/dbraw/zinc/59/64/97/1188596497.db2.gz MTXORYATKFMJMV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH2+]C[C@@](C)(NC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001753520135 1188613517 /nfs/dbraw/zinc/61/35/17/1188613517.db2.gz SUZSVBIUUJEPMY-MRXNPFEDSA-N 2 1 304.394 0.858 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001753729230 1188648203 /nfs/dbraw/zinc/64/82/03/1188648203.db2.gz IVFYFRFXNUJCMR-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753947021 1188692969 /nfs/dbraw/zinc/69/29/69/1188692969.db2.gz MGFOBFNGSSVCOF-CVEARBPZSA-N 2 1 305.422 0.932 20 30 DCEDMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001754548034 1188877698 /nfs/dbraw/zinc/87/76/98/1188877698.db2.gz AXSUXEPEKMELOW-QGZVFWFLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001754548034 1188877702 /nfs/dbraw/zinc/87/77/02/1188877702.db2.gz AXSUXEPEKMELOW-QGZVFWFLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001754548034 1188877704 /nfs/dbraw/zinc/87/77/04/1188877704.db2.gz AXSUXEPEKMELOW-QGZVFWFLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001754548034 1188877707 /nfs/dbraw/zinc/87/77/07/1188877707.db2.gz AXSUXEPEKMELOW-QGZVFWFLSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001754709984 1188909845 /nfs/dbraw/zinc/90/98/45/1188909845.db2.gz VKIMOJMZJRNYBN-QGZVFWFLSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001754850558 1188948375 /nfs/dbraw/zinc/94/83/75/1188948375.db2.gz MQTNFZJZXKPLRN-HNNXBMFYSA-N 2 1 306.454 0.132 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001754909619 1188971627 /nfs/dbraw/zinc/97/16/27/1188971627.db2.gz ZIIVDVWZHVAXLN-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001755090579 1189019675 /nfs/dbraw/zinc/01/96/75/1189019675.db2.gz BPSQMEKSGLRGNW-DLBZAZTESA-N 2 1 307.438 0.601 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001755448292 1189115296 /nfs/dbraw/zinc/11/52/96/1189115296.db2.gz QOBYPGZODKNCGQ-UKRRQHHQSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107012347 751752268 /nfs/dbraw/zinc/75/22/68/751752268.db2.gz OTMVWEMFAHXPSV-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107012347 751752274 /nfs/dbraw/zinc/75/22/74/751752274.db2.gz OTMVWEMFAHXPSV-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167626697 747436479 /nfs/dbraw/zinc/43/64/79/747436479.db2.gz FTOOLBKIJMAIQH-HNNXBMFYSA-N 2 1 322.453 0.095 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572449 747446836 /nfs/dbraw/zinc/44/68/36/747446836.db2.gz IHWIKZLEHSWNPQ-UHFFFAOYSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001098572449 747446841 /nfs/dbraw/zinc/44/68/41/747446841.db2.gz IHWIKZLEHSWNPQ-UHFFFAOYSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001098572449 747446847 /nfs/dbraw/zinc/44/68/47/747446847.db2.gz IHWIKZLEHSWNPQ-UHFFFAOYSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836847 749076453 /nfs/dbraw/zinc/07/64/53/749076453.db2.gz KIZGQARDIGZYJI-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836847 749076457 /nfs/dbraw/zinc/07/64/57/749076457.db2.gz KIZGQARDIGZYJI-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836847 749076459 /nfs/dbraw/zinc/07/64/59/749076459.db2.gz KIZGQARDIGZYJI-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836847 749076462 /nfs/dbraw/zinc/07/64/62/749076462.db2.gz KIZGQARDIGZYJI-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001088399219 749418812 /nfs/dbraw/zinc/41/88/12/749418812.db2.gz FIRWKNOFWQKBMU-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462197 761961101 /nfs/dbraw/zinc/96/11/01/761961101.db2.gz HFHIAZSOSXQDBR-UHFFFAOYSA-N 2 1 309.454 0.800 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168345555 749926389 /nfs/dbraw/zinc/92/63/89/749926389.db2.gz QFURBCSIXKIEEF-UHFFFAOYSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525074 750098134 /nfs/dbraw/zinc/09/81/34/750098134.db2.gz YANSMKSUPQNZNP-PMPSAXMXSA-N 2 1 305.422 0.188 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127630 750214510 /nfs/dbraw/zinc/21/45/10/750214510.db2.gz CIINHSJDRXUKSU-BZUAXINKSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127630 750214516 /nfs/dbraw/zinc/21/45/16/750214516.db2.gz CIINHSJDRXUKSU-BZUAXINKSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127630 750214522 /nfs/dbraw/zinc/21/45/22/750214522.db2.gz CIINHSJDRXUKSU-BZUAXINKSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127630 750214525 /nfs/dbraw/zinc/21/45/25/750214525.db2.gz CIINHSJDRXUKSU-BZUAXINKSA-N 2 1 307.438 0.149 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276287 750312146 /nfs/dbraw/zinc/31/21/46/750312146.db2.gz WCBNFTGDKKXCQM-HZPDHXFCSA-N 2 1 314.389 0.994 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077776284 752518849 /nfs/dbraw/zinc/51/88/49/752518849.db2.gz KNVRMAXWKIKTOD-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077776284 752518853 /nfs/dbraw/zinc/51/88/53/752518853.db2.gz KNVRMAXWKIKTOD-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776284 752518856 /nfs/dbraw/zinc/51/88/56/752518856.db2.gz KNVRMAXWKIKTOD-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776284 752518861 /nfs/dbraw/zinc/51/88/61/752518861.db2.gz KNVRMAXWKIKTOD-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001044654589 752823102 /nfs/dbraw/zinc/82/31/02/752823102.db2.gz PCFAHPDKVQQPAB-QWHCGFSZSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CCCN1CCO[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997116 752851891 /nfs/dbraw/zinc/85/18/91/752851891.db2.gz QKSGMOGCQVEYHZ-KRWDZBQOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107997116 752851896 /nfs/dbraw/zinc/85/18/96/752851896.db2.gz QKSGMOGCQVEYHZ-KRWDZBQOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997116 752851898 /nfs/dbraw/zinc/85/18/98/752851898.db2.gz QKSGMOGCQVEYHZ-KRWDZBQOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997116 752851904 /nfs/dbraw/zinc/85/19/04/752851904.db2.gz QKSGMOGCQVEYHZ-KRWDZBQOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997116 752851910 /nfs/dbraw/zinc/85/19/10/752851910.db2.gz QKSGMOGCQVEYHZ-KRWDZBQOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045663976 753285213 /nfs/dbraw/zinc/28/52/13/753285213.db2.gz UDBBKXKBQMVJPH-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001046035069 753437556 /nfs/dbraw/zinc/43/75/56/753437556.db2.gz CTDVKZQQMPWAJI-MRXNPFEDSA-N 2 1 317.437 0.747 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](C[C@H](C)OC)C2)CC1 ZINC001044335774 753806229 /nfs/dbraw/zinc/80/62/29/753806229.db2.gz OGTJRRLNOSASRA-AWEZNQCLSA-N 2 1 307.438 0.509 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001083826307 753920461 /nfs/dbraw/zinc/92/04/61/753920461.db2.gz LOOYFAKLCLUUGV-KGLIPLIRSA-N 2 1 306.410 0.744 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001083826307 753920465 /nfs/dbraw/zinc/92/04/65/753920465.db2.gz LOOYFAKLCLUUGV-KGLIPLIRSA-N 2 1 306.410 0.744 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047386014 754234540 /nfs/dbraw/zinc/23/45/40/754234540.db2.gz JGAMKYDZTVKCGF-WCVJEAGWSA-N 2 1 309.454 0.796 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047386014 754234542 /nfs/dbraw/zinc/23/45/42/754234542.db2.gz JGAMKYDZTVKCGF-WCVJEAGWSA-N 2 1 309.454 0.796 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047386014 754234545 /nfs/dbraw/zinc/23/45/45/754234545.db2.gz JGAMKYDZTVKCGF-WCVJEAGWSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001047638128 754452636 /nfs/dbraw/zinc/45/26/36/754452636.db2.gz CNYOOQHKTOPUFQ-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638128 754452639 /nfs/dbraw/zinc/45/26/39/754452639.db2.gz CNYOOQHKTOPUFQ-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638128 754452641 /nfs/dbraw/zinc/45/26/41/754452641.db2.gz CNYOOQHKTOPUFQ-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048831706 754966991 /nfs/dbraw/zinc/96/69/91/754966991.db2.gz AEIYRXXNVKQNIX-VVLHAWIVSA-N 2 1 317.433 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048831706 754966992 /nfs/dbraw/zinc/96/69/92/754966992.db2.gz AEIYRXXNVKQNIX-VVLHAWIVSA-N 2 1 317.433 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048831706 754966994 /nfs/dbraw/zinc/96/69/94/754966994.db2.gz AEIYRXXNVKQNIX-VVLHAWIVSA-N 2 1 317.433 0.263 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)OC)C[C@@H]2C1 ZINC001048870058 754988419 /nfs/dbraw/zinc/98/84/19/754988419.db2.gz MVWMLTQAJLWNLK-NXOAAHMSSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@@H]2C1 ZINC001048870058 754988421 /nfs/dbraw/zinc/98/84/21/754988421.db2.gz MVWMLTQAJLWNLK-NXOAAHMSSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)OC)C[C@@H]2C1 ZINC001048870058 754988425 /nfs/dbraw/zinc/98/84/25/754988425.db2.gz MVWMLTQAJLWNLK-NXOAAHMSSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)OC)C[C@@H]2C1 ZINC001048870058 754988428 /nfs/dbraw/zinc/98/84/28/754988428.db2.gz MVWMLTQAJLWNLK-NXOAAHMSSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)COC)C[C@@H]2C1 ZINC001048870059 754988436 /nfs/dbraw/zinc/98/84/36/754988436.db2.gz MVYIBMQAZNMDBA-NCOADZHNSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)COC)C[C@@H]2C1 ZINC001048870059 754988438 /nfs/dbraw/zinc/98/84/38/754988438.db2.gz MVYIBMQAZNMDBA-NCOADZHNSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H](C)COC)C[C@@H]2C1 ZINC001048870059 754988439 /nfs/dbraw/zinc/98/84/39/754988439.db2.gz MVYIBMQAZNMDBA-NCOADZHNSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H](C)COC)C[C@@H]2C1 ZINC001048870059 754988443 /nfs/dbraw/zinc/98/84/43/754988443.db2.gz MVYIBMQAZNMDBA-NCOADZHNSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001049672756 755356113 /nfs/dbraw/zinc/35/61/13/755356113.db2.gz NTQSRETXJZNPOP-BBWFWOEESA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001049672756 755356116 /nfs/dbraw/zinc/35/61/16/755356116.db2.gz NTQSRETXJZNPOP-BBWFWOEESA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049672756 755356121 /nfs/dbraw/zinc/35/61/21/755356121.db2.gz NTQSRETXJZNPOP-BBWFWOEESA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049672756 755356123 /nfs/dbraw/zinc/35/61/23/755356123.db2.gz NTQSRETXJZNPOP-BBWFWOEESA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001096584862 755433940 /nfs/dbraw/zinc/43/39/40/755433940.db2.gz YTAGYZODNSFWSR-UGUYLWEFSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001096584862 755433941 /nfs/dbraw/zinc/43/39/41/755433941.db2.gz YTAGYZODNSFWSR-UGUYLWEFSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001096584862 755433942 /nfs/dbraw/zinc/43/39/42/755433942.db2.gz YTAGYZODNSFWSR-UGUYLWEFSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001096584862 755433943 /nfs/dbraw/zinc/43/39/43/755433943.db2.gz YTAGYZODNSFWSR-UGUYLWEFSA-N 2 1 305.422 0.452 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049902709 755440473 /nfs/dbraw/zinc/44/04/73/755440473.db2.gz CMFFJQGSVIBHEG-OAGGEKHMSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049902709 755440474 /nfs/dbraw/zinc/44/04/74/755440474.db2.gz CMFFJQGSVIBHEG-OAGGEKHMSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902709 755440475 /nfs/dbraw/zinc/44/04/75/755440475.db2.gz CMFFJQGSVIBHEG-OAGGEKHMSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902709 755440476 /nfs/dbraw/zinc/44/04/76/755440476.db2.gz CMFFJQGSVIBHEG-OAGGEKHMSA-N 2 1 307.438 0.958 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947534 755880905 /nfs/dbraw/zinc/88/09/05/755880905.db2.gz SBQBSSNBKRXDCJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947534 755880909 /nfs/dbraw/zinc/88/09/09/755880909.db2.gz SBQBSSNBKRXDCJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947534 755880915 /nfs/dbraw/zinc/88/09/15/755880915.db2.gz SBQBSSNBKRXDCJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947534 755880923 /nfs/dbraw/zinc/88/09/23/755880923.db2.gz SBQBSSNBKRXDCJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053984282 756315571 /nfs/dbraw/zinc/31/55/71/756315571.db2.gz UGQUSSLEHSPMDG-AWEZNQCLSA-N 2 1 305.422 0.618 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](CCC)C3)C2)CC1 ZINC001054016199 756335171 /nfs/dbraw/zinc/33/51/71/756335171.db2.gz XBFWAHVWRAIFNF-INIZCTEOSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001081948198 756875473 /nfs/dbraw/zinc/87/54/73/756875473.db2.gz NSDDXWKYRRHYJV-HZPDHXFCSA-N 2 1 312.373 0.787 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082137985 756935403 /nfs/dbraw/zinc/93/54/03/756935403.db2.gz KIAPJLADZRFYME-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082137985 756935404 /nfs/dbraw/zinc/93/54/04/756935404.db2.gz KIAPJLADZRFYME-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082137985 756935406 /nfs/dbraw/zinc/93/54/06/756935406.db2.gz KIAPJLADZRFYME-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001082525479 757177565 /nfs/dbraw/zinc/17/75/65/757177565.db2.gz SJSBFBAHOYOYMM-WQVCFCJDSA-N 2 1 315.421 0.860 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001082525479 757177569 /nfs/dbraw/zinc/17/75/69/757177569.db2.gz SJSBFBAHOYOYMM-WQVCFCJDSA-N 2 1 315.421 0.860 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590504 757195537 /nfs/dbraw/zinc/19/55/37/757195537.db2.gz ZPCDNCWKQQVYKZ-FMKGYKFTSA-N 2 1 315.845 0.895 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590504 757195540 /nfs/dbraw/zinc/19/55/40/757195540.db2.gz ZPCDNCWKQQVYKZ-FMKGYKFTSA-N 2 1 315.845 0.895 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050074285 757333063 /nfs/dbraw/zinc/33/30/63/757333063.db2.gz JCVDESHXUFUFRY-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050074285 757333073 /nfs/dbraw/zinc/33/30/73/757333073.db2.gz JCVDESHXUFUFRY-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050074285 757333081 /nfs/dbraw/zinc/33/30/81/757333081.db2.gz JCVDESHXUFUFRY-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050074285 757333094 /nfs/dbraw/zinc/33/30/94/757333094.db2.gz JCVDESHXUFUFRY-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995963 759098508 /nfs/dbraw/zinc/09/85/08/759098508.db2.gz HRBIEZHPFDZPTQ-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085732056 759244831 /nfs/dbraw/zinc/24/48/31/759244831.db2.gz QGHVZEVAYTYTPP-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732056 759244837 /nfs/dbraw/zinc/24/48/37/759244837.db2.gz QGHVZEVAYTYTPP-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732056 759244843 /nfs/dbraw/zinc/24/48/43/759244843.db2.gz QGHVZEVAYTYTPP-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731936 759245725 /nfs/dbraw/zinc/24/57/25/759245725.db2.gz NXVWXKXWBYPALI-GWUWNPHMSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731936 759245730 /nfs/dbraw/zinc/24/57/30/759245730.db2.gz NXVWXKXWBYPALI-GWUWNPHMSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731936 759245733 /nfs/dbraw/zinc/24/57/33/759245733.db2.gz NXVWXKXWBYPALI-GWUWNPHMSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731936 759245739 /nfs/dbraw/zinc/24/57/39/759245739.db2.gz NXVWXKXWBYPALI-GWUWNPHMSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085732057 759245750 /nfs/dbraw/zinc/24/57/50/759245750.db2.gz QGHVZEVAYTYTPP-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732057 759245753 /nfs/dbraw/zinc/24/57/53/759245753.db2.gz QGHVZEVAYTYTPP-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732057 759245758 /nfs/dbraw/zinc/24/57/58/759245758.db2.gz QGHVZEVAYTYTPP-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098429248 760113245 /nfs/dbraw/zinc/11/32/45/760113245.db2.gz SNGUEMVSWVPNBS-UHFFFAOYSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098429248 760113248 /nfs/dbraw/zinc/11/32/48/760113248.db2.gz SNGUEMVSWVPNBS-UHFFFAOYSA-N 2 1 304.394 0.110 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169799644 760848398 /nfs/dbraw/zinc/84/83/98/760848398.db2.gz WPNQRUGLUOTVKH-GJZGRUSLSA-N 2 1 324.469 0.647 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC2=O)C1 ZINC001108577495 760910060 /nfs/dbraw/zinc/91/00/60/760910060.db2.gz LMFYZOLQHVUYEG-HIFRSBDPSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC2=O)C1 ZINC001108591980 760944749 /nfs/dbraw/zinc/94/47/49/760944749.db2.gz JWOMOAXQXGKSHE-AWEZNQCLSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC2=O)C1 ZINC001108591980 760944754 /nfs/dbraw/zinc/94/47/54/760944754.db2.gz JWOMOAXQXGKSHE-AWEZNQCLSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070274214 761160206 /nfs/dbraw/zinc/16/02/06/761160206.db2.gz XHZUMFLACDHJDG-ZNMIVQPWSA-N 2 1 318.425 0.290 20 30 DCEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070400524 761213101 /nfs/dbraw/zinc/21/31/01/761213101.db2.gz ZZECDKVDFHPQQN-DZGCQCFKSA-N 2 1 315.421 0.543 20 30 DCEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400524 761213110 /nfs/dbraw/zinc/21/31/10/761213110.db2.gz ZZECDKVDFHPQQN-DZGCQCFKSA-N 2 1 315.421 0.543 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400524 761213118 /nfs/dbraw/zinc/21/31/18/761213118.db2.gz ZZECDKVDFHPQQN-DZGCQCFKSA-N 2 1 315.421 0.543 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131769 761517884 /nfs/dbraw/zinc/51/78/84/761517884.db2.gz ILDRZEKDAKSOGL-HUUCEWRRSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131769 761517892 /nfs/dbraw/zinc/51/78/92/761517892.db2.gz ILDRZEKDAKSOGL-HUUCEWRRSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131769 761517898 /nfs/dbraw/zinc/51/78/98/761517898.db2.gz ILDRZEKDAKSOGL-HUUCEWRRSA-N 2 1 313.442 0.081 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123694272 768044964 /nfs/dbraw/zinc/04/49/64/768044964.db2.gz JCBPQDGGQBUXDC-GOEBONIOSA-N 2 1 321.469 0.018 20 30 DCEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC)[NH+](C)C ZINC001109733428 761525861 /nfs/dbraw/zinc/52/58/61/761525861.db2.gz NPYXSOMJVQKLKK-UGUYLWEFSA-N 2 1 307.438 0.698 20 30 DCEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC)[NH+](C)C ZINC001109733428 761525866 /nfs/dbraw/zinc/52/58/66/761525866.db2.gz NPYXSOMJVQKLKK-UGUYLWEFSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001099276759 762852142 /nfs/dbraw/zinc/85/21/42/762852142.db2.gz WWDBVRBQPJRSIT-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001099276759 762852146 /nfs/dbraw/zinc/85/21/46/762852146.db2.gz WWDBVRBQPJRSIT-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114290119 762922318 /nfs/dbraw/zinc/92/23/18/762922318.db2.gz BHSDIFYKXCNUEK-NCOADZHNSA-N 2 1 319.449 0.577 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129421663 762933323 /nfs/dbraw/zinc/93/33/23/762933323.db2.gz BKWWVCHIGAABIM-HUUCEWRRSA-N 2 1 324.469 0.646 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001129790652 763004540 /nfs/dbraw/zinc/00/45/40/763004540.db2.gz FTBREYABMXDAMX-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001129790652 763004547 /nfs/dbraw/zinc/00/45/47/763004547.db2.gz FTBREYABMXDAMX-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](O)C1 ZINC001099899599 763108450 /nfs/dbraw/zinc/10/84/50/763108450.db2.gz VQWQFMLGFYZISQ-HZPDHXFCSA-N 2 1 318.421 0.645 20 30 DCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107384 763127654 /nfs/dbraw/zinc/12/76/54/763127654.db2.gz NRMVUTZMBJIYAT-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130186891 763165742 /nfs/dbraw/zinc/16/57/42/763165742.db2.gz LVMFYCYUXVEXSH-GHMZBOCLSA-N 2 1 320.231 0.320 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130186891 763165743 /nfs/dbraw/zinc/16/57/43/763165743.db2.gz LVMFYCYUXVEXSH-GHMZBOCLSA-N 2 1 320.231 0.320 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087009615 768117745 /nfs/dbraw/zinc/11/77/45/768117745.db2.gz POVQGCHRKGXJTO-CWRNSKLLSA-N 2 1 317.437 0.442 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343366 763507262 /nfs/dbraw/zinc/50/72/62/763507262.db2.gz CISSJILSDMHRNV-XSCHDIRWSA-N 2 1 322.453 0.113 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857844 768151176 /nfs/dbraw/zinc/15/11/76/768151176.db2.gz ZWTYRJCUUMLSFG-WBVHZDCISA-N 2 1 300.406 0.995 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857844 768151179 /nfs/dbraw/zinc/15/11/79/768151179.db2.gz ZWTYRJCUUMLSFG-WBVHZDCISA-N 2 1 300.406 0.995 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819668 764349622 /nfs/dbraw/zinc/34/96/22/764349622.db2.gz PSQASEYKCFMECI-KFWWJZLASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819668 764349627 /nfs/dbraw/zinc/34/96/27/764349627.db2.gz PSQASEYKCFMECI-KFWWJZLASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819668 764349635 /nfs/dbraw/zinc/34/96/35/764349635.db2.gz PSQASEYKCFMECI-KFWWJZLASA-N 2 1 322.453 0.067 20 30 DCEDMP COCC#CCN1C[C@H](NC(=O)Cc2cncn2C)CC[C@@H]1C ZINC001132425947 764452836 /nfs/dbraw/zinc/45/28/36/764452836.db2.gz PIOZPUOAHOUVCD-LSDHHAIUSA-N 2 1 318.421 0.582 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819208 764828689 /nfs/dbraw/zinc/82/86/89/764828689.db2.gz PQUASGYFCRNLJF-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819208 764828697 /nfs/dbraw/zinc/82/86/97/764828697.db2.gz PQUASGYFCRNLJF-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819208 764828703 /nfs/dbraw/zinc/82/87/03/764828703.db2.gz PQUASGYFCRNLJF-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819208 764828712 /nfs/dbraw/zinc/82/87/12/764828712.db2.gz PQUASGYFCRNLJF-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@]2(C)C1 ZINC001092300553 768260751 /nfs/dbraw/zinc/26/07/51/768260751.db2.gz ZCYNEEAYAKKHFU-MJGOQNOKSA-N 2 1 313.445 0.745 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133870599 765185506 /nfs/dbraw/zinc/18/55/06/765185506.db2.gz UUDVVBDASLFBNI-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039631 765560062 /nfs/dbraw/zinc/56/00/62/765560062.db2.gz YEMMXEAHJQJSMA-QLPKVWCKSA-N 2 1 305.422 0.167 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245007 765660188 /nfs/dbraw/zinc/66/01/88/765660188.db2.gz JSIZRZLETNTYQL-MWDXBVQZSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245008 765660300 /nfs/dbraw/zinc/66/03/00/765660300.db2.gz JSIZRZLETNTYQL-NCOADZHNSA-N 2 1 321.465 0.967 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001090617764 766380802 /nfs/dbraw/zinc/38/08/02/766380802.db2.gz XHGWFPHBJZTKCK-GJZGRUSLSA-N 2 1 318.421 0.581 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090617764 766380820 /nfs/dbraw/zinc/38/08/20/766380820.db2.gz XHGWFPHBJZTKCK-GJZGRUSLSA-N 2 1 318.421 0.581 20 30 DCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001091232333 767047420 /nfs/dbraw/zinc/04/74/20/767047420.db2.gz KPZNGWAQZKCIOA-SLTAFYQDSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC ZINC001171308827 767767740 /nfs/dbraw/zinc/76/77/40/767767740.db2.gz XDOMCXDUUOILFH-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC ZINC001171308827 767767745 /nfs/dbraw/zinc/76/77/45/767767745.db2.gz XDOMCXDUUOILFH-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147774143 767836982 /nfs/dbraw/zinc/83/69/82/767836982.db2.gz RBSUWZKIECJOPN-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147774143 767836990 /nfs/dbraw/zinc/83/69/90/767836990.db2.gz RBSUWZKIECJOPN-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001151307639 769308201 /nfs/dbraw/zinc/30/82/01/769308201.db2.gz BPDCYKZLZQIQEU-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001095016265 769535077 /nfs/dbraw/zinc/53/50/77/769535077.db2.gz FGMXEWUPVJOSJC-XHSDSOJGSA-N 2 1 305.422 0.311 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153387713 769804218 /nfs/dbraw/zinc/80/42/18/769804218.db2.gz KRBSTBZAJGLYCW-WBVHZDCISA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565504 770127627 /nfs/dbraw/zinc/12/76/27/770127627.db2.gz VYEXSOHNNBCDDW-LSDHHAIUSA-N 2 1 324.469 0.505 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822543 770631738 /nfs/dbraw/zinc/63/17/38/770631738.db2.gz UFHBVXVEXQJPSL-HNNXBMFYSA-N 2 1 322.453 0.377 20 30 DCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178536253 770783758 /nfs/dbraw/zinc/78/37/58/770783758.db2.gz SKSKWPOKLUDUPQ-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180260044 771087294 /nfs/dbraw/zinc/08/72/94/771087294.db2.gz RFFQRQBYNJJSFZ-OAHLLOKOSA-N 2 1 324.469 0.507 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183867639 771717024 /nfs/dbraw/zinc/71/70/24/771717024.db2.gz HIYYWOHXETWBDL-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184423888 771787341 /nfs/dbraw/zinc/78/73/41/771787341.db2.gz FRFKFPBPNFZMQU-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605133 771794121 /nfs/dbraw/zinc/79/41/21/771794121.db2.gz NFXXKMOAQSWSBE-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605133 771794126 /nfs/dbraw/zinc/79/41/26/771794126.db2.gz NFXXKMOAQSWSBE-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC12CCOCC2 ZINC001186553961 772053709 /nfs/dbraw/zinc/05/37/09/772053709.db2.gz YUTPAHRRRUBNIN-HZPDHXFCSA-N 2 1 319.449 0.416 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001161042080 772157557 /nfs/dbraw/zinc/15/75/57/772157557.db2.gz NTUPPWLMPRRVCC-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C[N@H+](C)CCC)C2)C1=O ZINC001187322638 772165690 /nfs/dbraw/zinc/16/56/90/772165690.db2.gz PPNOQBVUHRQMTM-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)(COC)CC1 ZINC001162481798 772379019 /nfs/dbraw/zinc/37/90/19/772379019.db2.gz FTWCOMRKJVZNHD-JKSUJKDBSA-N 2 1 321.465 0.662 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001189659496 772515080 /nfs/dbraw/zinc/51/50/80/772515080.db2.gz BJAVKJWHKBRPKP-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001189659496 772515086 /nfs/dbraw/zinc/51/50/86/772515086.db2.gz BJAVKJWHKBRPKP-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC(C)C[C@H](Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1)C(=O)NO ZINC001163420100 772523447 /nfs/dbraw/zinc/52/34/47/772523447.db2.gz AMGCXARQBWZMDA-LBPRGKRZSA-N 2 1 322.413 0.736 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190167797 772600816 /nfs/dbraw/zinc/60/08/16/772600816.db2.gz KOUIWKRKQWZUOB-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164597180 772686689 /nfs/dbraw/zinc/68/66/89/772686689.db2.gz XWEAFEORRFGCNY-GJZGRUSLSA-N 2 1 305.422 0.359 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164596809 772686883 /nfs/dbraw/zinc/68/68/83/772686883.db2.gz SHJPGVRUEXFBNR-JKSUJKDBSA-N 2 1 319.449 0.749 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165271737 772714407 /nfs/dbraw/zinc/71/44/07/772714407.db2.gz NHTNJYKXDHWEPK-OAHLLOKOSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)COC)CC1 ZINC001165545223 772746488 /nfs/dbraw/zinc/74/64/88/772746488.db2.gz GRPIKDZRYKMBED-CVEARBPZSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)COC)CC1 ZINC001165545223 772746490 /nfs/dbraw/zinc/74/64/90/772746490.db2.gz GRPIKDZRYKMBED-CVEARBPZSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353092 772909465 /nfs/dbraw/zinc/90/94/65/772909465.db2.gz ADGYYJAUCOVMNQ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192353092 772909468 /nfs/dbraw/zinc/90/94/68/772909468.db2.gz ADGYYJAUCOVMNQ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192353092 772909469 /nfs/dbraw/zinc/90/94/69/772909469.db2.gz ADGYYJAUCOVMNQ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378703 772911571 /nfs/dbraw/zinc/91/15/71/772911571.db2.gz XESZDAGYFBZXFW-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192378703 772911573 /nfs/dbraw/zinc/91/15/73/772911573.db2.gz XESZDAGYFBZXFW-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192378703 772911574 /nfs/dbraw/zinc/91/15/74/772911574.db2.gz XESZDAGYFBZXFW-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001205457753 772993657 /nfs/dbraw/zinc/99/36/57/772993657.db2.gz OEMUKWDOHFRPGH-MRXNPFEDSA-N 2 1 319.453 0.828 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193641973 773093837 /nfs/dbraw/zinc/09/38/37/773093837.db2.gz JZAGVIUHQWXJOB-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193641973 773093842 /nfs/dbraw/zinc/09/38/42/773093842.db2.gz JZAGVIUHQWXJOB-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193641973 773093846 /nfs/dbraw/zinc/09/38/46/773093846.db2.gz JZAGVIUHQWXJOB-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206928885 773137588 /nfs/dbraw/zinc/13/75/88/773137588.db2.gz MHXVLTIKMWKWKX-INIZCTEOSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206953307 773147292 /nfs/dbraw/zinc/14/72/92/773147292.db2.gz ASZHEHDANJYBMM-UHFFFAOYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289773 773177912 /nfs/dbraw/zinc/17/79/12/773177912.db2.gz ORXCXFBPQXUQHO-HZPDHXFCSA-N 2 1 318.421 0.645 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195828118 773489439 /nfs/dbraw/zinc/48/94/39/773489439.db2.gz FLYLLBIHKSEDHR-FVQBIDKESA-N 2 1 309.454 0.844 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208639388 773508999 /nfs/dbraw/zinc/50/89/99/773508999.db2.gz QHUWJSBFSJFFHI-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209251331 773574768 /nfs/dbraw/zinc/57/47/68/773574768.db2.gz NVYRBUSTZCDNNO-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962795 773675447 /nfs/dbraw/zinc/67/54/47/773675447.db2.gz JJKGPHJPNFOCLI-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962795 773675450 /nfs/dbraw/zinc/67/54/50/773675450.db2.gz JJKGPHJPNFOCLI-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210277585 773694024 /nfs/dbraw/zinc/69/40/24/773694024.db2.gz VKWLKGHOVCOICQ-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210277585 773694029 /nfs/dbraw/zinc/69/40/29/773694029.db2.gz VKWLKGHOVCOICQ-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210277585 773694033 /nfs/dbraw/zinc/69/40/33/773694033.db2.gz VKWLKGHOVCOICQ-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861197 774019191 /nfs/dbraw/zinc/01/91/91/774019191.db2.gz KMISCQDHHDWVSS-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200553921 774363379 /nfs/dbraw/zinc/36/33/79/774363379.db2.gz CDWJNKKWAJBTPC-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCCO1 ZINC001201226472 774467131 /nfs/dbraw/zinc/46/71/31/774467131.db2.gz YMSDMELSVBMGEC-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001201702128 774541930 /nfs/dbraw/zinc/54/19/30/774541930.db2.gz WIPFSHODAXNWFR-HQVVEAJESA-N 2 1 317.433 0.454 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060217 774596469 /nfs/dbraw/zinc/59/64/69/774596469.db2.gz VLZMOBXXMKPFEW-KGLIPLIRSA-N 2 1 315.845 0.898 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219801994 774614075 /nfs/dbraw/zinc/61/40/75/774614075.db2.gz BZXFTZDIXIJVRZ-ZNMIVQPWSA-N 2 1 309.454 0.987 20 30 DCEDMP COC(=O)c1ccc(C(=N)NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001220577154 774851509 /nfs/dbraw/zinc/85/15/09/774851509.db2.gz GHBKAJRQULQGIE-UHFFFAOYSA-N 2 1 318.377 0.047 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001095611449 775261232 /nfs/dbraw/zinc/26/12/32/775261232.db2.gz QQSKTDNDJCHDGZ-RBGFHDKUSA-N 2 1 305.422 0.450 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001095611449 775261241 /nfs/dbraw/zinc/26/12/41/775261241.db2.gz QQSKTDNDJCHDGZ-RBGFHDKUSA-N 2 1 305.422 0.450 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611449 775261249 /nfs/dbraw/zinc/26/12/49/775261249.db2.gz QQSKTDNDJCHDGZ-RBGFHDKUSA-N 2 1 305.422 0.450 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611449 775261256 /nfs/dbraw/zinc/26/12/56/775261256.db2.gz QQSKTDNDJCHDGZ-RBGFHDKUSA-N 2 1 305.422 0.450 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001224558095 775582785 /nfs/dbraw/zinc/58/27/85/775582785.db2.gz ACZBPBGXQVAZAE-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225379034 775673331 /nfs/dbraw/zinc/67/33/31/775673331.db2.gz WCDQZFUVQLNZKM-RBSFLKMASA-N 2 1 322.453 0.400 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC#CCOC)CC1 ZINC001228053315 776041181 /nfs/dbraw/zinc/04/11/81/776041181.db2.gz DCHITPXVBIOOQE-UHFFFAOYSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001229184983 776166022 /nfs/dbraw/zinc/16/60/22/776166022.db2.gz FPCANWSXNNMMSX-GDBMZVCRSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114852216 776254922 /nfs/dbraw/zinc/25/49/22/776254922.db2.gz OLZQJDIEGPWSNP-AIANPOQGSA-N 2 1 307.438 0.720 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041401532 777256420 /nfs/dbraw/zinc/25/64/20/777256420.db2.gz BRHSKYMGLGQYCL-BFYDXBDKSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041401532 777256426 /nfs/dbraw/zinc/25/64/26/777256426.db2.gz BRHSKYMGLGQYCL-BFYDXBDKSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041401532 777256431 /nfs/dbraw/zinc/25/64/31/777256431.db2.gz BRHSKYMGLGQYCL-BFYDXBDKSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041401532 777256439 /nfs/dbraw/zinc/25/64/39/777256439.db2.gz BRHSKYMGLGQYCL-BFYDXBDKSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001273039827 945213697 /nfs/dbraw/zinc/21/36/97/945213697.db2.gz WLSJNMHBIPNQDN-SFHVURJKSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nc1C ZINC001266951774 939287891 /nfs/dbraw/zinc/28/78/91/939287891.db2.gz XTPUBGQAYTXQME-CJNGLKHVSA-N 2 1 317.437 0.420 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nc1C ZINC001266951774 939287894 /nfs/dbraw/zinc/28/78/94/939287894.db2.gz XTPUBGQAYTXQME-CJNGLKHVSA-N 2 1 317.437 0.420 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267071868 939331554 /nfs/dbraw/zinc/33/15/54/939331554.db2.gz YAROONVYSPQNBL-CQSZACIVSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001267222850 939393803 /nfs/dbraw/zinc/39/38/03/939393803.db2.gz UEEQJTKAHUMYBD-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001267222850 939393805 /nfs/dbraw/zinc/39/38/05/939393805.db2.gz UEEQJTKAHUMYBD-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCOC)CC1 ZINC001267281067 939413556 /nfs/dbraw/zinc/41/35/56/939413556.db2.gz FTUADNWVCGHYNC-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001273101101 945251974 /nfs/dbraw/zinc/25/19/74/945251974.db2.gz NTHXYIDMMXCLKN-UHFFFAOYSA-N 2 1 305.422 0.265 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267562002 939500663 /nfs/dbraw/zinc/50/06/63/939500663.db2.gz IINZHPPPOHSBDX-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480992490 939513894 /nfs/dbraw/zinc/51/38/94/939513894.db2.gz RDVYINKGLPUACX-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480992490 939513896 /nfs/dbraw/zinc/51/38/96/939513896.db2.gz RDVYINKGLPUACX-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267615566 939576051 /nfs/dbraw/zinc/57/60/51/939576051.db2.gz RFPHMXFOBJICNR-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267615566 939576053 /nfs/dbraw/zinc/57/60/53/939576053.db2.gz RFPHMXFOBJICNR-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001267634204 939604382 /nfs/dbraw/zinc/60/43/82/939604382.db2.gz KXWLLYNYOKKCNV-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001267634204 939604384 /nfs/dbraw/zinc/60/43/84/939604384.db2.gz KXWLLYNYOKKCNV-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001267634204 939604385 /nfs/dbraw/zinc/60/43/85/939604385.db2.gz KXWLLYNYOKKCNV-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001267634204 939604387 /nfs/dbraw/zinc/60/43/87/939604387.db2.gz KXWLLYNYOKKCNV-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268085976 939931686 /nfs/dbraw/zinc/93/16/86/939931686.db2.gz LABFDXVCAOHQQF-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268116715 939950695 /nfs/dbraw/zinc/95/06/95/939950695.db2.gz TWUVEKCKAQJIQI-JKSUJKDBSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001268118568 939951098 /nfs/dbraw/zinc/95/10/98/939951098.db2.gz OAIBGWPQSNRYNY-HZPDHXFCSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001268118568 939951101 /nfs/dbraw/zinc/95/11/01/939951101.db2.gz OAIBGWPQSNRYNY-HZPDHXFCSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001481692414 940044161 /nfs/dbraw/zinc/04/41/61/940044161.db2.gz MPQOXZPFUYSQIT-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001481692414 940044164 /nfs/dbraw/zinc/04/41/64/940044164.db2.gz MPQOXZPFUYSQIT-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001481781906 940134681 /nfs/dbraw/zinc/13/46/81/940134681.db2.gz JGKBQSJLGVKIPD-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001481781906 940134683 /nfs/dbraw/zinc/13/46/83/940134683.db2.gz JGKBQSJLGVKIPD-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001481781906 940134684 /nfs/dbraw/zinc/13/46/84/940134684.db2.gz JGKBQSJLGVKIPD-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001268896599 940400298 /nfs/dbraw/zinc/40/02/98/940400298.db2.gz VBADTFHKFXIMAV-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001269278042 940670780 /nfs/dbraw/zinc/67/07/80/940670780.db2.gz BHLQSOIHHUPZHY-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001269330670 940685267 /nfs/dbraw/zinc/68/52/67/940685267.db2.gz JVBZGFVDHPUKSO-HZPDHXFCSA-N 2 1 309.454 0.899 20 30 DCEDMP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001269330670 940685268 /nfs/dbraw/zinc/68/52/68/940685268.db2.gz JVBZGFVDHPUKSO-HZPDHXFCSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cncn1C ZINC001269418249 940702523 /nfs/dbraw/zinc/70/25/23/940702523.db2.gz YYDSBWVGRQXVNA-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cncn1C ZINC001269418249 940702524 /nfs/dbraw/zinc/70/25/24/940702524.db2.gz YYDSBWVGRQXVNA-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001270165806 940847801 /nfs/dbraw/zinc/84/78/01/940847801.db2.gz QNKOGLVCLFCUHT-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)on1 ZINC001270427003 940899226 /nfs/dbraw/zinc/89/92/26/940899226.db2.gz GRIQICNVPZSJID-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)on1 ZINC001270427003 940899232 /nfs/dbraw/zinc/89/92/32/940899232.db2.gz GRIQICNVPZSJID-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001271229847 941329432 /nfs/dbraw/zinc/32/94/32/941329432.db2.gz XZPITIGJTUDQLX-GOSISDBHSA-N 2 1 315.417 0.548 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCOC(C)C)C1 ZINC001493209668 942168906 /nfs/dbraw/zinc/16/89/06/942168906.db2.gz ABVQUZQMTCTLQY-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCOC(C)C)C1 ZINC001493209668 942168910 /nfs/dbraw/zinc/16/89/10/942168910.db2.gz ABVQUZQMTCTLQY-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCOC(C)C)C1 ZINC001493209668 942168916 /nfs/dbraw/zinc/16/89/16/942168916.db2.gz ABVQUZQMTCTLQY-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCOC(C)C)C1 ZINC001493209668 942168919 /nfs/dbraw/zinc/16/89/19/942168919.db2.gz ABVQUZQMTCTLQY-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001484025261 943088020 /nfs/dbraw/zinc/08/80/20/943088020.db2.gz IOGFGXZUSXJBJB-MRXNPFEDSA-N 2 1 306.454 0.178 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001484025261 943088027 /nfs/dbraw/zinc/08/80/27/943088027.db2.gz IOGFGXZUSXJBJB-MRXNPFEDSA-N 2 1 306.454 0.178 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001484025261 943088033 /nfs/dbraw/zinc/08/80/33/943088033.db2.gz IOGFGXZUSXJBJB-MRXNPFEDSA-N 2 1 306.454 0.178 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001484246928 943255404 /nfs/dbraw/zinc/25/54/04/943255404.db2.gz ANWBBWFDCRDMLL-ROUUACIJSA-N 2 1 321.465 0.992 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001484246928 943255407 /nfs/dbraw/zinc/25/54/07/943255407.db2.gz ANWBBWFDCRDMLL-ROUUACIJSA-N 2 1 321.465 0.992 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001484246928 943255410 /nfs/dbraw/zinc/25/54/10/943255410.db2.gz ANWBBWFDCRDMLL-ROUUACIJSA-N 2 1 321.465 0.992 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001484754384 943560134 /nfs/dbraw/zinc/56/01/34/943560134.db2.gz CZJJVRLDAKHFBB-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484754384 943560137 /nfs/dbraw/zinc/56/01/37/943560137.db2.gz CZJJVRLDAKHFBB-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001484754384 943560143 /nfs/dbraw/zinc/56/01/43/943560143.db2.gz CZJJVRLDAKHFBB-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490912394 943614362 /nfs/dbraw/zinc/61/43/62/943614362.db2.gz YWFQPZQBAUSVJV-IHRRRGAJSA-N 2 1 319.409 0.119 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068269 943676129 /nfs/dbraw/zinc/67/61/29/943676129.db2.gz BZNFVKCYCSUUII-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068269 943676132 /nfs/dbraw/zinc/67/61/32/943676132.db2.gz BZNFVKCYCSUUII-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCOCC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001485088948 943688436 /nfs/dbraw/zinc/68/84/36/943688436.db2.gz RIROWOLPACLKPR-NRXISQOPSA-N 2 1 311.426 0.004 20 30 DCEDMP C=CCOCC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001485088948 943688437 /nfs/dbraw/zinc/68/84/37/943688437.db2.gz RIROWOLPACLKPR-NRXISQOPSA-N 2 1 311.426 0.004 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001485533440 943991176 /nfs/dbraw/zinc/99/11/76/943991176.db2.gz QHJRQYGYNJJAOO-CQSZACIVSA-N 2 1 305.422 0.169 20 30 DCEDMP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001276812708 944310901 /nfs/dbraw/zinc/31/09/01/944310901.db2.gz LSYODQZADFYEJY-HIFRSBDPSA-N 2 1 306.410 0.973 20 30 DCEDMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001276812712 944310956 /nfs/dbraw/zinc/31/09/56/944310956.db2.gz LSYODQZADFYEJY-ZFWWWQNUSA-N 2 1 306.410 0.973 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC#Cc2ccccc2)C1 ZINC001486060875 944521184 /nfs/dbraw/zinc/52/11/84/944521184.db2.gz CLHPKRJOWIHVGT-IRXDYDNUSA-N 2 1 315.417 0.057 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001316946049 944668815 /nfs/dbraw/zinc/66/88/15/944668815.db2.gz WVNOMVTVTYNTOE-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001316946049 944668824 /nfs/dbraw/zinc/66/88/24/944668824.db2.gz WVNOMVTVTYNTOE-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316946049 944668829 /nfs/dbraw/zinc/66/88/29/944668829.db2.gz WVNOMVTVTYNTOE-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001316946049 944668835 /nfs/dbraw/zinc/66/88/35/944668835.db2.gz WVNOMVTVTYNTOE-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001316961488 944687099 /nfs/dbraw/zinc/68/70/99/944687099.db2.gz LPMYGTMMMXEYSV-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001277247085 944723982 /nfs/dbraw/zinc/72/39/82/944723982.db2.gz SHJHSZDJHJTBBQ-AWEZNQCLSA-N 2 1 306.410 0.716 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001281459097 944814419 /nfs/dbraw/zinc/81/44/19/944814419.db2.gz SYZGEWNGVHSJOH-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001317380863 944947008 /nfs/dbraw/zinc/94/70/08/944947008.db2.gz IGFWVFCCAYWVPE-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001317380863 944947012 /nfs/dbraw/zinc/94/70/12/944947012.db2.gz IGFWVFCCAYWVPE-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001317380863 944947014 /nfs/dbraw/zinc/94/70/14/944947014.db2.gz IGFWVFCCAYWVPE-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001317380863 944947019 /nfs/dbraw/zinc/94/70/19/944947019.db2.gz IGFWVFCCAYWVPE-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317381549 944947639 /nfs/dbraw/zinc/94/76/39/944947639.db2.gz MDOKITYRAPYJGJ-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001277819715 944992500 /nfs/dbraw/zinc/99/25/00/944992500.db2.gz QAPWMTLLLKIJOV-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CCN1CC[N@@H+](C)C2(CCN([C@H]3CC[C@H](C)[NH2+]C3)CC2)C1=O ZINC001246737012 945479118 /nfs/dbraw/zinc/47/91/18/945479118.db2.gz CPUVWEUFDSJZMN-HOTGVXAUSA-N 2 1 320.481 0.922 20 30 DCEDMP C=CCN1CC[N@H+](C)C2(CCN([C@H]3CC[C@H](C)[NH2+]C3)CC2)C1=O ZINC001246737012 945479121 /nfs/dbraw/zinc/47/91/21/945479121.db2.gz CPUVWEUFDSJZMN-HOTGVXAUSA-N 2 1 320.481 0.922 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001278512260 945616124 /nfs/dbraw/zinc/61/61/24/945616124.db2.gz PFYXQDQXGGZSDY-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001319707587 945650367 /nfs/dbraw/zinc/65/03/67/945650367.db2.gz FTRVMVUYIYAHKI-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001278608357 945683308 /nfs/dbraw/zinc/68/33/08/945683308.db2.gz LADMAEUCAHNAFP-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001251890715 945808709 /nfs/dbraw/zinc/80/87/09/945808709.db2.gz GLQPKQSWQPNEHD-BDXSIMOUSA-N 2 1 300.402 0.717 20 30 DCEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001251890715 945808716 /nfs/dbraw/zinc/80/87/16/945808716.db2.gz GLQPKQSWQPNEHD-BDXSIMOUSA-N 2 1 300.402 0.717 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCn1cccn1 ZINC001321097908 946166440 /nfs/dbraw/zinc/16/64/40/946166440.db2.gz REXNJNFRYPLXRL-QGZUEGPWSA-N 2 1 315.421 0.243 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCn1cccn1 ZINC001321097908 946166447 /nfs/dbraw/zinc/16/64/47/946166447.db2.gz REXNJNFRYPLXRL-QGZUEGPWSA-N 2 1 315.421 0.243 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)CC(=O)NCCC ZINC001322178161 946602563 /nfs/dbraw/zinc/60/25/63/946602563.db2.gz WDFPEZVLHNQRNW-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)CC(=O)NCCC ZINC001322178161 946602565 /nfs/dbraw/zinc/60/25/65/946602565.db2.gz WDFPEZVLHNQRNW-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238354 946622655 /nfs/dbraw/zinc/62/26/55/946622655.db2.gz UFGXIYHILYEJOA-KBPBESRZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238354 946622664 /nfs/dbraw/zinc/62/26/64/946622664.db2.gz UFGXIYHILYEJOA-KBPBESRZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001325097585 947647876 /nfs/dbraw/zinc/64/78/76/947647876.db2.gz MKSGZZBRWMRJQO-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001325097585 947647882 /nfs/dbraw/zinc/64/78/82/947647882.db2.gz MKSGZZBRWMRJQO-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001325138649 947675158 /nfs/dbraw/zinc/67/51/58/947675158.db2.gz VBQDXWYWWQWWJY-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001493111232 947698110 /nfs/dbraw/zinc/69/81/10/947698110.db2.gz PBNWFCUOOBIGCY-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001493111232 947698113 /nfs/dbraw/zinc/69/81/13/947698113.db2.gz PBNWFCUOOBIGCY-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001493111232 947698114 /nfs/dbraw/zinc/69/81/14/947698114.db2.gz PBNWFCUOOBIGCY-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001493111232 947698115 /nfs/dbraw/zinc/69/81/15/947698115.db2.gz PBNWFCUOOBIGCY-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001327602884 948566405 /nfs/dbraw/zinc/56/64/05/948566405.db2.gz IPAOMGUYTKQSGU-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1OCC ZINC001263967821 948818803 /nfs/dbraw/zinc/81/88/03/948818803.db2.gz CPVZEQCJLLVNRQ-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264080048 948875753 /nfs/dbraw/zinc/87/57/53/948875753.db2.gz FJBOSPHCWKMUHG-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001264435830 948978310 /nfs/dbraw/zinc/97/83/10/948978310.db2.gz YEGJPECAVJIRAJ-QAQDUYKDSA-N 2 1 321.465 0.997 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001488743215 949186241 /nfs/dbraw/zinc/18/62/41/949186241.db2.gz DRHRNTVPRYQIDB-IXDOHACOSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1OCC ZINC001489022841 949439169 /nfs/dbraw/zinc/43/91/69/949439169.db2.gz QRFXMGYYWJWBMR-HZPDHXFCSA-N 2 1 318.421 0.668 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001489297482 949677392 /nfs/dbraw/zinc/67/73/92/949677392.db2.gz MEDKYBNBVXEFKE-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001489297482 949677406 /nfs/dbraw/zinc/67/74/06/949677406.db2.gz MEDKYBNBVXEFKE-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265446416 949692029 /nfs/dbraw/zinc/69/20/29/949692029.db2.gz FXCWKOVUUARZKB-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001265543776 949754714 /nfs/dbraw/zinc/75/47/14/949754714.db2.gz QLXQCFKTYXIPLC-OWCLPIDISA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001490368306 950605100 /nfs/dbraw/zinc/60/51/00/950605100.db2.gz ZZVLTFTYPLQYCI-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001490368306 950605118 /nfs/dbraw/zinc/60/51/18/950605118.db2.gz ZZVLTFTYPLQYCI-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001490368306 950605131 /nfs/dbraw/zinc/60/51/31/950605131.db2.gz ZZVLTFTYPLQYCI-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001490473772 950715874 /nfs/dbraw/zinc/71/58/74/950715874.db2.gz USDVBRUGTOQDHO-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001490579429 950899883 /nfs/dbraw/zinc/89/98/83/950899883.db2.gz PWRQRWCWBHPGSE-HNNXBMFYSA-N 2 1 322.453 0.355 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001490579429 950899898 /nfs/dbraw/zinc/89/98/98/950899898.db2.gz PWRQRWCWBHPGSE-HNNXBMFYSA-N 2 1 322.453 0.355 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001281675565 951595208 /nfs/dbraw/zinc/59/52/08/951595208.db2.gz MLBARDASHVOFCW-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001281676985 951595321 /nfs/dbraw/zinc/59/53/21/951595321.db2.gz SDKMGSPVSDRYRX-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC001281722158 951608967 /nfs/dbraw/zinc/60/89/67/951608967.db2.gz PAKLDBXYECXZNQ-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC001281722158 951608971 /nfs/dbraw/zinc/60/89/71/951608971.db2.gz PAKLDBXYECXZNQ-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001274617243 951743578 /nfs/dbraw/zinc/74/35/78/951743578.db2.gz WGXNXPVPKUMHML-SJORKVTESA-N 2 1 318.421 0.782 20 30 DCEDMP COCC#CCN(C)CCN(C(=O)Cn1ccnc1)C(C)C ZINC001332740484 951781177 /nfs/dbraw/zinc/78/11/77/951781177.db2.gz MYDDSBMSBRGNAM-UHFFFAOYSA-N 2 1 306.410 0.702 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001274792269 951842588 /nfs/dbraw/zinc/84/25/88/951842588.db2.gz XBMUGXRRKGPUMA-PMPSAXMXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001274792269 951842599 /nfs/dbraw/zinc/84/25/99/951842599.db2.gz XBMUGXRRKGPUMA-PMPSAXMXSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001275135208 951968303 /nfs/dbraw/zinc/96/83/03/951968303.db2.gz GVSCQHFRBGNUBK-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275593110 952294398 /nfs/dbraw/zinc/29/43/98/952294398.db2.gz YIODATMTQOUUQR-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C[NH+](C)CC#CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335968481 952627283 /nfs/dbraw/zinc/62/72/83/952627283.db2.gz GTEMJVQKCADCNH-SFHVURJKSA-N 2 1 301.434 0.778 20 30 DCEDMP C[NH+](C)CC#CC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001335968481 952627287 /nfs/dbraw/zinc/62/72/87/952627287.db2.gz GTEMJVQKCADCNH-SFHVURJKSA-N 2 1 301.434 0.778 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001366481762 954260550 /nfs/dbraw/zinc/26/05/50/954260550.db2.gz CVKOTECPMFHENX-CYBMUJFWSA-N 2 1 303.834 0.946 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001283617891 954487494 /nfs/dbraw/zinc/48/74/94/954487494.db2.gz MYFUBPUSVBWGAF-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001349848844 954908572 /nfs/dbraw/zinc/90/85/72/954908572.db2.gz CVZIICZRTCUHSE-JYJNAYRXSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001349848844 954908582 /nfs/dbraw/zinc/90/85/82/954908582.db2.gz CVZIICZRTCUHSE-JYJNAYRXSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001349848844 954908598 /nfs/dbraw/zinc/90/85/98/954908598.db2.gz CVZIICZRTCUHSE-JYJNAYRXSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001349848844 954908605 /nfs/dbraw/zinc/90/86/05/954908605.db2.gz CVZIICZRTCUHSE-JYJNAYRXSA-N 2 1 304.438 0.820 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001284448717 955103294 /nfs/dbraw/zinc/10/32/94/955103294.db2.gz RVLRRBPKFRIHBG-CYBMUJFWSA-N 2 1 322.409 0.479 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001284815944 955265572 /nfs/dbraw/zinc/26/55/72/955265572.db2.gz PMWDUBXFSKSEBZ-NFOMZHRRSA-N 2 1 322.453 0.209 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367582244 958110167 /nfs/dbraw/zinc/11/01/67/958110167.db2.gz NSMWODHQSKFXCK-QWHCGFSZSA-N 2 1 303.834 0.678 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367582238 958110276 /nfs/dbraw/zinc/11/02/76/958110276.db2.gz NSMWODHQSKFXCK-OLZOCXBDSA-N 2 1 303.834 0.678 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001368825010 960322068 /nfs/dbraw/zinc/32/20/68/960322068.db2.gz JPIHIKAKKTZTJS-JXQTWKCFSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001368825010 960322077 /nfs/dbraw/zinc/32/20/77/960322077.db2.gz JPIHIKAKKTZTJS-JXQTWKCFSA-N 2 1 315.845 0.944 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001316964717 960328673 /nfs/dbraw/zinc/32/86/73/960328673.db2.gz HOHMTNGUAGJUMW-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001316964717 960328679 /nfs/dbraw/zinc/32/86/79/960328679.db2.gz HOHMTNGUAGJUMW-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001316958746 960328942 /nfs/dbraw/zinc/32/89/42/960328942.db2.gz IHUDSQHDVLGMAD-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001316750652 960366425 /nfs/dbraw/zinc/36/64/25/960366425.db2.gz UEKVAZPDGFMMFR-RRFJBIMHSA-N 2 1 318.421 0.985 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001379281597 962533934 /nfs/dbraw/zinc/53/39/34/962533934.db2.gz FEDFWGGWYPMJEV-NEPJUHHUSA-N 2 1 322.434 0.138 20 30 DCEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369354252 964809693 /nfs/dbraw/zinc/80/96/93/964809693.db2.gz NYIOIDDGJVENNU-GHMZBOCLSA-N 2 1 320.231 0.056 20 30 DCEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369354252 964809703 /nfs/dbraw/zinc/80/97/03/964809703.db2.gz NYIOIDDGJVENNU-GHMZBOCLSA-N 2 1 320.231 0.056 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392390034 991861494 /nfs/dbraw/zinc/86/14/94/991861494.db2.gz GGWLRZUVPDQWLB-RWMBFGLXSA-N 2 1 303.834 0.536 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001492816583 992545535 /nfs/dbraw/zinc/54/55/35/992545535.db2.gz IPPHDQRKFKXQHM-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001492816583 992545543 /nfs/dbraw/zinc/54/55/43/992545543.db2.gz IPPHDQRKFKXQHM-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001492816583 992545552 /nfs/dbraw/zinc/54/55/52/992545552.db2.gz IPPHDQRKFKXQHM-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001492816583 992545563 /nfs/dbraw/zinc/54/55/63/992545563.db2.gz IPPHDQRKFKXQHM-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001507163229 1016046518 /nfs/dbraw/zinc/04/65/18/1016046518.db2.gz TWLMONQCFVPHJB-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001502870897 1016110808 /nfs/dbraw/zinc/11/08/08/1016110808.db2.gz VWMWZKAOLPHNLP-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503874193 1016182618 /nfs/dbraw/zinc/18/26/18/1016182618.db2.gz JQRCJSWUHADIOO-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507717120 1016545280 /nfs/dbraw/zinc/54/52/80/1016545280.db2.gz FMGXRZHJBGBVKZ-CYBMUJFWSA-N 2 1 315.845 0.586 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507717120 1016545289 /nfs/dbraw/zinc/54/52/89/1016545289.db2.gz FMGXRZHJBGBVKZ-CYBMUJFWSA-N 2 1 315.845 0.586 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001506065425 1016969540 /nfs/dbraw/zinc/96/95/40/1016969540.db2.gz OVFGEXQIFDCDBJ-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(Cl)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001436462434 1006197128 /nfs/dbraw/zinc/19/71/28/1006197128.db2.gz GYIILQWGBHXOSX-CQSZACIVSA-N 2 1 317.861 0.976 20 30 DCEDMP C=C(Cl)C[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001436462434 1006197136 /nfs/dbraw/zinc/19/71/36/1006197136.db2.gz GYIILQWGBHXOSX-CQSZACIVSA-N 2 1 317.861 0.976 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001438993344 1006335406 /nfs/dbraw/zinc/33/54/06/1006335406.db2.gz JOPBZQIRHQSGBZ-QWHCGFSZSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CC[NH+]1CCOCC1 ZINC001444008895 1010800084 /nfs/dbraw/zinc/80/00/84/1010800084.db2.gz CWDMYWGZCRVWKV-ZDUSSCGKSA-N 2 1 303.834 0.946 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001423289084 1011049601 /nfs/dbraw/zinc/04/96/01/1011049601.db2.gz YNFPLWJHRZPOCG-CQSZACIVSA-N 2 1 317.861 0.926 20 30 DCEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC#CC[NH+](C)C)C2)CC1 ZINC001564077745 1012519230 /nfs/dbraw/zinc/51/92/30/1012519230.db2.gz ULKJVNQCSGYGHT-OAHLLOKOSA-N 2 1 321.469 0.019 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001564077745 1012519245 /nfs/dbraw/zinc/51/92/45/1012519245.db2.gz ULKJVNQCSGYGHT-OAHLLOKOSA-N 2 1 321.469 0.019 20 30 DCEDMP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001424530847 1012622079 /nfs/dbraw/zinc/62/20/79/1012622079.db2.gz PQAKZVLSRQMZFY-CYBMUJFWSA-N 2 1 315.845 0.634 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001506973946 1017726240 /nfs/dbraw/zinc/72/62/40/1017726240.db2.gz AZFNJSWSAUGEOC-UHFFFAOYSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001506973946 1017726248 /nfs/dbraw/zinc/72/62/48/1017726248.db2.gz AZFNJSWSAUGEOC-UHFFFAOYSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001506973946 1017726254 /nfs/dbraw/zinc/72/62/54/1017726254.db2.gz AZFNJSWSAUGEOC-UHFFFAOYSA-N 2 1 309.454 0.899 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001479931469 1017992817 /nfs/dbraw/zinc/99/28/17/1017992817.db2.gz XZHONOPBBMCRGY-HZPDHXFCSA-N 2 1 308.470 0.637 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497256389 1017998981 /nfs/dbraw/zinc/99/89/81/1017998981.db2.gz QOWVAPDWHZVCRQ-ILXRZTDVSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001499857819 1018106580 /nfs/dbraw/zinc/10/65/80/1018106580.db2.gz NYZVZRTXHCKXNJ-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494861666 1018109521 /nfs/dbraw/zinc/10/95/21/1018109521.db2.gz AFKFLKFDVLQIGG-HOTGVXAUSA-N 2 1 309.454 0.755 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494861666 1018109528 /nfs/dbraw/zinc/10/95/28/1018109528.db2.gz AFKFLKFDVLQIGG-HOTGVXAUSA-N 2 1 309.454 0.755 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001500003590 1018165823 /nfs/dbraw/zinc/16/58/23/1018165823.db2.gz SCZIMKPWEFZESP-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500279984 1018374558 /nfs/dbraw/zinc/37/45/58/1018374558.db2.gz JOZFSGUMBDOBQE-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001500279984 1018374570 /nfs/dbraw/zinc/37/45/70/1018374570.db2.gz JOZFSGUMBDOBQE-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500279984 1018374583 /nfs/dbraw/zinc/37/45/83/1018374583.db2.gz JOZFSGUMBDOBQE-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500279982 1018378039 /nfs/dbraw/zinc/37/80/39/1018378039.db2.gz JOZFSGUMBDOBQE-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001500279982 1018378052 /nfs/dbraw/zinc/37/80/52/1018378052.db2.gz JOZFSGUMBDOBQE-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500279982 1018378068 /nfs/dbraw/zinc/37/80/68/1018378068.db2.gz JOZFSGUMBDOBQE-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480277738 1018397139 /nfs/dbraw/zinc/39/71/39/1018397139.db2.gz CGHKLXPFCOFWHH-KBPBESRZSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480277738 1018397149 /nfs/dbraw/zinc/39/71/49/1018397149.db2.gz CGHKLXPFCOFWHH-KBPBESRZSA-N 2 1 315.845 0.898 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500743199 1018624771 /nfs/dbraw/zinc/62/47/71/1018624771.db2.gz IQBJVMDPAVHEJM-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CN(C)CC#CCOC ZINC001498456925 1019136344 /nfs/dbraw/zinc/13/63/44/1019136344.db2.gz QOPMGJDFVBEBNT-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC#CCOC ZINC001498456925 1019136350 /nfs/dbraw/zinc/13/63/50/1019136350.db2.gz QOPMGJDFVBEBNT-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC#CCOC ZINC001498456925 1019136356 /nfs/dbraw/zinc/13/63/56/1019136356.db2.gz QOPMGJDFVBEBNT-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#CCOC ZINC001498456925 1019136369 /nfs/dbraw/zinc/13/63/69/1019136369.db2.gz QOPMGJDFVBEBNT-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001498559215 1019227464 /nfs/dbraw/zinc/22/74/64/1019227464.db2.gz AXBDKPDSPCMICQ-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CN(C)c1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000104162089 529787410 /nfs/dbraw/zinc/78/74/10/529787410.db2.gz KTPUWOHMJJAGII-UHFFFAOYSA-N 2 1 319.453 0.879 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC1CC1 ZINC000264059906 238187738 /nfs/dbraw/zinc/18/77/38/238187738.db2.gz CMBKQWNQDFMMNE-UHFFFAOYSA-N 2 1 303.414 0.055 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nccn1C(F)F ZINC000264081399 238188683 /nfs/dbraw/zinc/18/86/83/238188683.db2.gz HJXCWMAMURHQHX-UHFFFAOYSA-N 2 1 316.356 0.405 20 30 DCEDMP COCc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264071877 238188857 /nfs/dbraw/zinc/18/88/57/238188857.db2.gz DMJQLWZQLNDEFM-UHFFFAOYSA-N 2 1 320.437 0.960 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)c1ccc(F)cc1 ZINC000264127151 238190841 /nfs/dbraw/zinc/19/08/41/238190841.db2.gz WSXKEQNWGNGIEL-HNNXBMFYSA-N 2 1 324.400 0.486 20 30 DCEDMP Cc1nn(C)c(C)c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267477650 238226231 /nfs/dbraw/zinc/22/62/31/238226231.db2.gz ZUMKFPLUEYBBJM-UHFFFAOYSA-N 2 1 308.430 0.164 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+]CCS(=O)(=O)Oc1ccccc1 ZINC000491621412 241126852 /nfs/dbraw/zinc/12/68/52/241126852.db2.gz HBDWIEZSXCQROS-UHFFFAOYSA-N 2 1 310.419 0.940 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+]CCS(=O)(=O)Oc1ccccc1 ZINC000491621412 241126857 /nfs/dbraw/zinc/12/68/57/241126857.db2.gz HBDWIEZSXCQROS-UHFFFAOYSA-N 2 1 310.419 0.940 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000057137491 395939748 /nfs/dbraw/zinc/93/97/48/395939748.db2.gz FBVHLWNOYVDEFF-KRWDZBQOSA-N 2 1 321.465 0.805 20 30 DCEDMP CCc1cnc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000081220238 396295332 /nfs/dbraw/zinc/29/53/32/396295332.db2.gz JMCFYIHGROOVOT-UHFFFAOYSA-N 2 1 311.455 0.832 20 30 DCEDMP C[C@@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000267379729 396355904 /nfs/dbraw/zinc/35/59/04/396355904.db2.gz ATPKAQDWFINPSV-QGZVFWFLSA-N 2 1 320.437 0.521 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343735048 415701282 /nfs/dbraw/zinc/70/12/82/415701282.db2.gz DXPSYLFGVIOXNR-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000172584874 416047973 /nfs/dbraw/zinc/04/79/73/416047973.db2.gz RFSIBVLHFKEYQH-OAHLLOKOSA-N 2 1 324.469 0.904 20 30 DCEDMP C[C@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)N1CC[NH+](C)CC1 ZINC000329290851 416162390 /nfs/dbraw/zinc/16/23/90/416162390.db2.gz APYJOUYERZUITC-CABCVRRESA-N 2 1 312.458 0.426 20 30 DCEDMP C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C1=CC[N@@H+](C)CC1 ZINC000330789220 416238612 /nfs/dbraw/zinc/23/86/12/416238612.db2.gz RTWYRIOUGJXJRV-ZDUSSCGKSA-N 2 1 320.441 1.421 20 30 DCEDMP C[C@@H]1C[C@H](CO)C[NH+](CC#CC[N@H+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420953873 416419841 /nfs/dbraw/zinc/41/98/41/416419841.db2.gz YYCXJPSAWJJUEV-BDXSIMOUSA-N 2 1 308.466 0.890 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000491266132 416592508 /nfs/dbraw/zinc/59/25/08/416592508.db2.gz NUZPIMITMTVWFQ-MRXNPFEDSA-N 2 1 324.469 0.334 20 30 DCEDMP C[NH+]1C[C@H]2CCN(CC#CCN3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000644733059 417650836 /nfs/dbraw/zinc/65/08/36/417650836.db2.gz LGGCLXGYBHYWTC-MHORFTMASA-N 2 1 302.466 0.262 20 30 DCEDMP C[NH+]1C[C@H]2[C@@H](CCN2CC#CCN2CC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000644733059 417650841 /nfs/dbraw/zinc/65/08/41/417650841.db2.gz LGGCLXGYBHYWTC-MHORFTMASA-N 2 1 302.466 0.262 20 30 DCEDMP C[NH+]1C[C@H]2[C@@H](CCN2CC#CCN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000644733059 417650845 /nfs/dbraw/zinc/65/08/45/417650845.db2.gz LGGCLXGYBHYWTC-MHORFTMASA-N 2 1 302.466 0.262 20 30 DCEDMP C=CC[C@@]1(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCC[NH2+]1 ZINC000662746506 417882313 /nfs/dbraw/zinc/88/23/13/417882313.db2.gz MBTMSFAHQJIZHI-KRWDZBQOSA-N 2 1 322.453 0.307 20 30 DCEDMP CC[NH+]=C(NCC(F)F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261681757 276095261 /nfs/dbraw/zinc/09/52/61/276095261.db2.gz HROZZPWPVBBTSO-LBPRGKRZSA-N 2 1 304.385 0.871 20 30 DCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000329819536 336085635 /nfs/dbraw/zinc/08/56/35/336085635.db2.gz XVDXJXFLYFIHKG-YUELXQCFSA-N 2 1 309.458 0.219 20 30 DCEDMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329819536 336085637 /nfs/dbraw/zinc/08/56/37/336085637.db2.gz XVDXJXFLYFIHKG-YUELXQCFSA-N 2 1 309.458 0.219 20 30 DCEDMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329819536 336085638 /nfs/dbraw/zinc/08/56/38/336085638.db2.gz XVDXJXFLYFIHKG-YUELXQCFSA-N 2 1 309.458 0.219 20 30 DCEDMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000329919441 336095408 /nfs/dbraw/zinc/09/54/08/336095408.db2.gz DGPJTRVGMWQTMC-AWEZNQCLSA-N 2 1 311.474 0.610 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568991838 1160910852 /nfs/dbraw/zinc/91/08/52/1160910852.db2.gz LXGRHCNCNMYCTA-ZIAGYGMSSA-N 2 1 310.442 0.256 20 30 DCEDMP C[NH+]=C(NCCn1ccnc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261812871 526367320 /nfs/dbraw/zinc/36/73/20/526367320.db2.gz SVNPGEZNFPYWCV-HNNXBMFYSA-N 2 1 320.441 0.113 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264144854 529058210 /nfs/dbraw/zinc/05/82/10/529058210.db2.gz XRQYNMUQTBGKJQ-CQSZACIVSA-N 2 1 317.441 0.398 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264308408 529100156 /nfs/dbraw/zinc/10/01/56/529100156.db2.gz UMRGRRUJMLMYBG-JKSUJKDBSA-N 2 1 304.438 0.979 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000264094667 529100465 /nfs/dbraw/zinc/10/04/65/529100465.db2.gz LPIQHZLDCHNFMA-HNNXBMFYSA-N 2 1 317.437 0.805 20 30 DCEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC#CCOC)CC2)CC1 ZINC000677817460 547906522 /nfs/dbraw/zinc/90/65/22/547906522.db2.gz MFXPKCORZPYDJE-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001671999377 1175058701 /nfs/dbraw/zinc/05/87/01/1175058701.db2.gz XBDKXINAFJNXHH-NVXWUHKLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001671999377 1175058711 /nfs/dbraw/zinc/05/87/11/1175058711.db2.gz XBDKXINAFJNXHH-NVXWUHKLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)CC1 ZINC001027693551 660626081 /nfs/dbraw/zinc/62/60/81/660626081.db2.gz FICVJRZWTOVMNE-MRXNPFEDSA-N 2 1 307.438 0.247 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000083129002 660823394 /nfs/dbraw/zinc/82/33/94/660823394.db2.gz FBCOJKCJPNZWOK-UONOGXRCSA-N 2 1 305.470 0.872 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083129002 660823395 /nfs/dbraw/zinc/82/33/95/660823395.db2.gz FBCOJKCJPNZWOK-UONOGXRCSA-N 3 1 305.470 0.872 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083129002 660823399 /nfs/dbraw/zinc/82/33/99/660823399.db2.gz FBCOJKCJPNZWOK-UONOGXRCSA-N 3 1 305.470 0.872 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083129002 660823401 /nfs/dbraw/zinc/82/34/01/660823401.db2.gz FBCOJKCJPNZWOK-UONOGXRCSA-N 3 1 305.470 0.872 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083129002 660823403 /nfs/dbraw/zinc/82/34/03/660823403.db2.gz FBCOJKCJPNZWOK-UONOGXRCSA-N 3 1 305.470 0.872 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980220433 660893474 /nfs/dbraw/zinc/89/34/74/660893474.db2.gz ZRWVBZJGGXGKLD-HRCADAONSA-N 2 1 301.434 0.932 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001021285329 657546933 /nfs/dbraw/zinc/54/69/33/657546933.db2.gz IANSDWCQVLVPPN-HMQMGEFJSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001021285329 657546939 /nfs/dbraw/zinc/54/69/39/657546939.db2.gz IANSDWCQVLVPPN-HMQMGEFJSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCO ZINC001021285329 657546949 /nfs/dbraw/zinc/54/69/49/657546949.db2.gz IANSDWCQVLVPPN-HMQMGEFJSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCO ZINC001021285329 657546960 /nfs/dbraw/zinc/54/69/60/657546960.db2.gz IANSDWCQVLVPPN-HMQMGEFJSA-N 2 1 319.449 0.578 20 30 DCEDMP C[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933643659 657712695 /nfs/dbraw/zinc/71/26/95/657712695.db2.gz BZFJBPWIEJNFNW-UHFFFAOYSA-N 2 1 321.421 0.535 20 30 DCEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262363174 657896068 /nfs/dbraw/zinc/89/60/68/657896068.db2.gz HFASLNJCOMKQEE-YWPYICTPSA-N 2 1 312.483 0.645 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 ZINC001007961492 659143480 /nfs/dbraw/zinc/14/34/80/659143480.db2.gz KGODEJSTOHXRQD-AWEZNQCLSA-N 2 1 300.406 0.976 20 30 DCEDMP C=CC[N@@H+]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982156214 661299629 /nfs/dbraw/zinc/29/96/29/661299629.db2.gz NPSYGVJHCQAYSB-UHFFFAOYSA-N 2 1 305.426 0.779 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001028643496 661716049 /nfs/dbraw/zinc/71/60/49/661716049.db2.gz OVLPZKFGUPNOQW-HUUCEWRRSA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001029003005 661929984 /nfs/dbraw/zinc/92/99/84/661929984.db2.gz GMFXIHMFXIFZLO-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784582 665821716 /nfs/dbraw/zinc/82/17/16/665821716.db2.gz DBMSHEINCOIURV-JYJNAYRXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784582 665821719 /nfs/dbraw/zinc/82/17/19/665821719.db2.gz DBMSHEINCOIURV-JYJNAYRXSA-N 2 1 307.438 0.816 20 30 DCEDMP CCOCCCNC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000303886343 662458950 /nfs/dbraw/zinc/45/89/50/662458950.db2.gz NQSHLTFTVRQWHV-HNNXBMFYSA-N 2 1 313.490 0.591 20 30 DCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000985543348 662476121 /nfs/dbraw/zinc/47/61/21/662476121.db2.gz MFGLONPUCBZCTO-HQVVEAJESA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000985695466 662501131 /nfs/dbraw/zinc/50/11/31/662501131.db2.gz VUDQJPPLNHAJDU-UHFFFAOYSA-N 2 1 317.437 0.614 20 30 DCEDMP C=CC[NH+]1CCC(NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905337023 663550109 /nfs/dbraw/zinc/55/01/09/663550109.db2.gz WOBGUKFCWWLQSQ-UHFFFAOYSA-N 2 1 301.456 0.556 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](C)OC)CC1 ZINC001032800759 665977156 /nfs/dbraw/zinc/97/71/56/665977156.db2.gz YKRVVTPTDQZJAA-PVAVHDDUSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993361021 664947153 /nfs/dbraw/zinc/94/71/53/664947153.db2.gz GNILLYQOCSDXGE-GJZGRUSLSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993361021 664947154 /nfs/dbraw/zinc/94/71/54/664947154.db2.gz GNILLYQOCSDXGE-GJZGRUSLSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCO)[C@@H]2C)CC1 ZINC000994498673 665116878 /nfs/dbraw/zinc/11/68/78/665116878.db2.gz NTMVIQAFAYWBFG-GDBMZVCRSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCN(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000918882809 665187695 /nfs/dbraw/zinc/18/76/95/665187695.db2.gz NWFNBOBBRCUNJS-AWEZNQCLSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C(C)C)C2)CC1 ZINC000941440504 665999194 /nfs/dbraw/zinc/99/91/94/665999194.db2.gz KVZSPBPMSIUPRE-KRWDZBQOSA-N 2 1 318.465 0.321 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C(C)C)C2)CC1 ZINC000941440504 665999197 /nfs/dbraw/zinc/99/91/97/665999197.db2.gz KVZSPBPMSIUPRE-KRWDZBQOSA-N 2 1 318.465 0.321 20 30 DCEDMP C#CCC[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032080201 666279257 /nfs/dbraw/zinc/27/92/57/666279257.db2.gz LEZMYBZQOOOMIP-UHFFFAOYSA-N 2 1 309.373 0.952 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639995 666574315 /nfs/dbraw/zinc/57/43/15/666574315.db2.gz MNSCYLIGHJWLKS-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639995 666574317 /nfs/dbraw/zinc/57/43/17/666574317.db2.gz MNSCYLIGHJWLKS-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639995 666574318 /nfs/dbraw/zinc/57/43/18/666574318.db2.gz MNSCYLIGHJWLKS-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639995 666574320 /nfs/dbraw/zinc/57/43/20/666574320.db2.gz MNSCYLIGHJWLKS-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639995 666574322 /nfs/dbraw/zinc/57/43/22/666574322.db2.gz MNSCYLIGHJWLKS-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278129 666658997 /nfs/dbraw/zinc/65/89/97/666658997.db2.gz MDNIVWLPLMVGHN-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278129 666658999 /nfs/dbraw/zinc/65/89/99/666658999.db2.gz MDNIVWLPLMVGHN-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278129 666659000 /nfs/dbraw/zinc/65/90/00/666659000.db2.gz MDNIVWLPLMVGHN-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP N#Cc1ccccc1C[N@H+]1CC[C@H](N2C(=O)O[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000866712013 667389905 /nfs/dbraw/zinc/38/99/05/667389905.db2.gz PSSOXLKJJDFTDB-HRCADAONSA-N 2 1 312.373 0.925 20 30 DCEDMP N#Cc1ccccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000866712013 667389906 /nfs/dbraw/zinc/38/99/06/667389906.db2.gz PSSOXLKJJDFTDB-HRCADAONSA-N 2 1 312.373 0.925 20 30 DCEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035680253 667398460 /nfs/dbraw/zinc/39/84/60/667398460.db2.gz NTSUXBMXQHOHFE-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035680253 667398462 /nfs/dbraw/zinc/39/84/62/667398462.db2.gz NTSUXBMXQHOHFE-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCN1CCC[C@@H](NC(=O)NCCC[N@H+](C)CCOC)C1 ZINC000884198311 667495715 /nfs/dbraw/zinc/49/57/15/667495715.db2.gz RZEWCEXJUSLSLE-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000884198311 667495717 /nfs/dbraw/zinc/49/57/17/667495717.db2.gz RZEWCEXJUSLSLE-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+](C)CCOC)C1 ZINC000884198311 667495719 /nfs/dbraw/zinc/49/57/19/667495719.db2.gz RZEWCEXJUSLSLE-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)CCOC)C1 ZINC000884198311 667495721 /nfs/dbraw/zinc/49/57/21/667495721.db2.gz RZEWCEXJUSLSLE-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)CCOC)C1 ZINC000884198311 667495722 /nfs/dbraw/zinc/49/57/22/667495722.db2.gz RZEWCEXJUSLSLE-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[N@H+]1C1CC1 ZINC000884233317 667506121 /nfs/dbraw/zinc/50/61/21/667506121.db2.gz NZCIRSYQRDXSAB-KPFWJWBDSA-N 2 1 302.422 0.867 20 30 DCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515974 667551705 /nfs/dbraw/zinc/55/17/05/667551705.db2.gz PHYKTUZQZKFRFU-XHSDSOJGSA-N 2 1 301.390 0.839 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC000923559502 667562703 /nfs/dbraw/zinc/56/27/03/667562703.db2.gz GVEACUQGRDCRFR-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872215175 667878270 /nfs/dbraw/zinc/87/82/70/667878270.db2.gz RUTCSVJCHRAPEG-ROUUACIJSA-N 2 1 302.418 0.987 20 30 DCEDMP C#CCC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215175 667878273 /nfs/dbraw/zinc/87/82/73/667878273.db2.gz RUTCSVJCHRAPEG-ROUUACIJSA-N 2 1 302.418 0.987 20 30 DCEDMP C#C[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCO1 ZINC000839564248 668117377 /nfs/dbraw/zinc/11/73/77/668117377.db2.gz PCOHVWLCLKFZIK-JKSUJKDBSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CCCS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000791420964 669609859 /nfs/dbraw/zinc/60/98/59/669609859.db2.gz FEKWYRQXRCNTOR-HNNXBMFYSA-N 2 1 315.483 0.687 20 30 DCEDMP C#CCCS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000791420964 669609862 /nfs/dbraw/zinc/60/98/62/669609862.db2.gz FEKWYRQXRCNTOR-HNNXBMFYSA-N 2 1 315.483 0.687 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269656 670091236 /nfs/dbraw/zinc/09/12/36/670091236.db2.gz QCPGBNVSLNVZJG-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269656 670091240 /nfs/dbraw/zinc/09/12/40/670091240.db2.gz QCPGBNVSLNVZJG-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948269656 670091242 /nfs/dbraw/zinc/09/12/42/670091242.db2.gz QCPGBNVSLNVZJG-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269656 670091246 /nfs/dbraw/zinc/09/12/46/670091246.db2.gz QCPGBNVSLNVZJG-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC000949189561 670283679 /nfs/dbraw/zinc/28/36/79/670283679.db2.gz ZDBYEJYELOZHDA-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949226002 670290890 /nfs/dbraw/zinc/29/08/90/670290890.db2.gz BRCUPZRGHPXOEL-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000852827683 671168799 /nfs/dbraw/zinc/16/87/99/671168799.db2.gz NIMCUIPPTFCLDA-GGZOMVNGSA-N 2 1 323.194 0.677 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852856036 671175840 /nfs/dbraw/zinc/17/58/40/671175840.db2.gz SLKSGVDHLFJPPQ-MRXNPFEDSA-N 2 1 307.438 0.462 20 30 DCEDMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852883927 671184718 /nfs/dbraw/zinc/18/47/18/671184718.db2.gz BGFZMDMBHLWETO-CQSZACIVSA-N 2 1 321.421 0.085 20 30 DCEDMP CCC[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000852893793 671188521 /nfs/dbraw/zinc/18/85/21/671188521.db2.gz KKTXZEUUCHLNBA-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001691535622 1158317747 /nfs/dbraw/zinc/31/77/47/1158317747.db2.gz IEHKMYNYDWYHSC-INIZCTEOSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001691535622 1158317754 /nfs/dbraw/zinc/31/77/54/1158317754.db2.gz IEHKMYNYDWYHSC-INIZCTEOSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001691535622 1158317761 /nfs/dbraw/zinc/31/77/61/1158317761.db2.gz IEHKMYNYDWYHSC-INIZCTEOSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@H](C)O)CC1 ZINC001024812398 693836465 /nfs/dbraw/zinc/83/64/65/693836465.db2.gz OJHNPWQBAFMATF-DOTOQJQBSA-N 2 1 321.465 0.683 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CN1CCOCC1 ZINC000304741348 685211895 /nfs/dbraw/zinc/21/18/95/685211895.db2.gz CBDJKTVQQZYJAP-CABCVRRESA-N 2 1 311.474 0.343 20 30 DCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304741348 685211899 /nfs/dbraw/zinc/21/18/99/685211899.db2.gz CBDJKTVQQZYJAP-CABCVRRESA-N 3 1 311.474 0.343 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304741348 685211904 /nfs/dbraw/zinc/21/19/04/685211904.db2.gz CBDJKTVQQZYJAP-CABCVRRESA-N 3 1 311.474 0.343 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CN1CCOCC1 ZINC000304741350 685212216 /nfs/dbraw/zinc/21/22/16/685212216.db2.gz CBDJKTVQQZYJAP-GJZGRUSLSA-N 2 1 311.474 0.343 20 30 DCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304741350 685212218 /nfs/dbraw/zinc/21/22/18/685212218.db2.gz CBDJKTVQQZYJAP-GJZGRUSLSA-N 3 1 311.474 0.343 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304741350 685212219 /nfs/dbraw/zinc/21/22/19/685212219.db2.gz CBDJKTVQQZYJAP-GJZGRUSLSA-N 3 1 311.474 0.343 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038534484 694108831 /nfs/dbraw/zinc/10/88/31/694108831.db2.gz HREHUNFFIBRRNA-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534484 694108836 /nfs/dbraw/zinc/10/88/36/694108836.db2.gz HREHUNFFIBRRNA-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534484 694108839 /nfs/dbraw/zinc/10/88/39/694108839.db2.gz HREHUNFFIBRRNA-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958345745 687566507 /nfs/dbraw/zinc/56/65/07/687566507.db2.gz RHIJWFKEVUTRGP-CABCVRRESA-N 2 1 321.421 0.940 20 30 DCEDMP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481767 687695437 /nfs/dbraw/zinc/69/54/37/687695437.db2.gz RYDWRMHHOWNMMF-DLBZAZTESA-N 2 1 315.417 0.404 20 30 DCEDMP C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590677 687778638 /nfs/dbraw/zinc/77/86/38/687778638.db2.gz BVKIEXMSDLKQCY-STQMWFEESA-N 2 1 313.829 0.244 20 30 DCEDMP C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590677 687778642 /nfs/dbraw/zinc/77/86/42/687778642.db2.gz BVKIEXMSDLKQCY-STQMWFEESA-N 2 1 313.829 0.244 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958598070 687785865 /nfs/dbraw/zinc/78/58/65/687785865.db2.gz HOXOZEZNHNLCIY-SWLSCSKDSA-N 2 1 304.394 0.356 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958599584 687787228 /nfs/dbraw/zinc/78/72/28/687787228.db2.gz RQGISFHVOZFCNL-CZUORRHYSA-N 2 1 318.421 0.746 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958599584 687787234 /nfs/dbraw/zinc/78/72/34/687787234.db2.gz RQGISFHVOZFCNL-CZUORRHYSA-N 2 1 318.421 0.746 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960527748 688405544 /nfs/dbraw/zinc/40/55/44/688405544.db2.gz OUTCKUXYFKEKSX-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960527748 688405548 /nfs/dbraw/zinc/40/55/48/688405548.db2.gz OUTCKUXYFKEKSX-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960527748 688405550 /nfs/dbraw/zinc/40/55/50/688405550.db2.gz OUTCKUXYFKEKSX-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960527748 688405554 /nfs/dbraw/zinc/40/55/54/688405554.db2.gz OUTCKUXYFKEKSX-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000963654427 689079626 /nfs/dbraw/zinc/07/96/26/689079626.db2.gz XQHZDLTWAKWPDR-LETWWHAPSA-N 2 1 307.438 0.910 20 30 DCEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000963654427 689079633 /nfs/dbraw/zinc/07/96/33/689079633.db2.gz XQHZDLTWAKWPDR-LETWWHAPSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000964030137 689119827 /nfs/dbraw/zinc/11/98/27/689119827.db2.gz DTIOGGAVGXTYAP-KBMGIXFMSA-N 2 1 307.438 0.909 20 30 DCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000964030137 689119829 /nfs/dbraw/zinc/11/98/29/689119829.db2.gz DTIOGGAVGXTYAP-KBMGIXFMSA-N 2 1 307.438 0.909 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000964143832 689168517 /nfs/dbraw/zinc/16/85/17/689168517.db2.gz JSLYXNDZAIOQJR-UHFFFAOYSA-N 2 1 316.405 1.000 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](C)OC)CC1 ZINC001039042221 694283880 /nfs/dbraw/zinc/28/38/80/694283880.db2.gz NRBUNUFIMRDLMT-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](CC)OC)CC1 ZINC001039042863 694284380 /nfs/dbraw/zinc/28/43/80/694284380.db2.gz YHPRRXATQMMBQM-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039309603 694336619 /nfs/dbraw/zinc/33/66/19/694336619.db2.gz RYTFNHUFSPEOLM-NPYXIHBLSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039309603 694336622 /nfs/dbraw/zinc/33/66/22/694336622.db2.gz RYTFNHUFSPEOLM-NPYXIHBLSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007992416 690785096 /nfs/dbraw/zinc/78/50/96/690785096.db2.gz WRYIOCRIGQETME-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007992416 690785100 /nfs/dbraw/zinc/78/51/00/690785100.db2.gz WRYIOCRIGQETME-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007992416 690785103 /nfs/dbraw/zinc/78/51/03/690785103.db2.gz WRYIOCRIGQETME-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007992416 690785106 /nfs/dbraw/zinc/78/51/06/690785106.db2.gz WRYIOCRIGQETME-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826239 692457558 /nfs/dbraw/zinc/45/75/58/692457558.db2.gz COKZGKIBMWMRSJ-OAHLLOKOSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760864 694661523 /nfs/dbraw/zinc/66/15/23/694661523.db2.gz QZJHUWIWKCESIL-HUUCEWRRSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760864 694661524 /nfs/dbraw/zinc/66/15/24/694661524.db2.gz QZJHUWIWKCESIL-HUUCEWRRSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760864 694661526 /nfs/dbraw/zinc/66/15/26/694661526.db2.gz QZJHUWIWKCESIL-HUUCEWRRSA-N 2 1 303.406 0.017 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072914168 694683426 /nfs/dbraw/zinc/68/34/26/694683426.db2.gz YCUKPCCFRFJPRX-OAHLLOKOSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914168 694683427 /nfs/dbraw/zinc/68/34/27/694683427.db2.gz YCUKPCCFRFJPRX-OAHLLOKOSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914168 694683428 /nfs/dbraw/zinc/68/34/28/694683428.db2.gz YCUKPCCFRFJPRX-OAHLLOKOSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660423 694761243 /nfs/dbraw/zinc/76/12/43/694761243.db2.gz DQFWPVVNGASRMO-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660423 694761244 /nfs/dbraw/zinc/76/12/44/694761244.db2.gz DQFWPVVNGASRMO-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660423 694761246 /nfs/dbraw/zinc/76/12/46/694761246.db2.gz DQFWPVVNGASRMO-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660423 694761247 /nfs/dbraw/zinc/76/12/47/694761247.db2.gz DQFWPVVNGASRMO-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073661781 694761585 /nfs/dbraw/zinc/76/15/85/694761585.db2.gz COOWSAINBFFUKK-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661781 694761586 /nfs/dbraw/zinc/76/15/86/694761586.db2.gz COOWSAINBFFUKK-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661781 694761588 /nfs/dbraw/zinc/76/15/88/694761588.db2.gz COOWSAINBFFUKK-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001074837931 694926011 /nfs/dbraw/zinc/92/60/11/694926011.db2.gz QUMVOFWVXLEWJO-BJJXKVORSA-N 2 1 300.406 0.966 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076588832 695030427 /nfs/dbraw/zinc/03/04/27/695030427.db2.gz HNFLMNJGOFRPJR-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076588832 695030428 /nfs/dbraw/zinc/03/04/28/695030428.db2.gz HNFLMNJGOFRPJR-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076588832 695030429 /nfs/dbraw/zinc/03/04/29/695030429.db2.gz HNFLMNJGOFRPJR-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076588832 695030430 /nfs/dbraw/zinc/03/04/30/695030430.db2.gz HNFLMNJGOFRPJR-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001571333490 1162703331 /nfs/dbraw/zinc/70/33/31/1162703331.db2.gz SXJCVBGUSVIHSE-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001571440529 1162756901 /nfs/dbraw/zinc/75/69/01/1162756901.db2.gz DIOQROZSUPJPAC-BBRMVZONSA-N 2 1 313.417 0.289 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001571490184 1162780925 /nfs/dbraw/zinc/78/09/25/1162780925.db2.gz ANTULCNDMVIUDD-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001571586295 1162830702 /nfs/dbraw/zinc/83/07/02/1162830702.db2.gz LWJKTPMWAAFRNQ-MRXNPFEDSA-N 2 1 309.454 0.683 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001571603195 1162851095 /nfs/dbraw/zinc/85/10/95/1162851095.db2.gz WCHHTWOEAQBIGQ-IAGOWNOFSA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001571603195 1162851097 /nfs/dbraw/zinc/85/10/97/1162851097.db2.gz WCHHTWOEAQBIGQ-IAGOWNOFSA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001571603195 1162851102 /nfs/dbraw/zinc/85/11/02/1162851102.db2.gz WCHHTWOEAQBIGQ-IAGOWNOFSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001571603251 1162853048 /nfs/dbraw/zinc/85/30/48/1162853048.db2.gz XAHZDAVTTOEERO-CQSZACIVSA-N 2 1 323.462 0.808 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001691147573 1157596373 /nfs/dbraw/zinc/59/63/73/1157596373.db2.gz BDMIGTDMGJIOMO-OAHLLOKOSA-N 2 1 306.410 0.832 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691147573 1157596381 /nfs/dbraw/zinc/59/63/81/1157596381.db2.gz BDMIGTDMGJIOMO-OAHLLOKOSA-N 2 1 306.410 0.832 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691147573 1157596387 /nfs/dbraw/zinc/59/63/87/1157596387.db2.gz BDMIGTDMGJIOMO-OAHLLOKOSA-N 2 1 306.410 0.832 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001691535929 1158318217 /nfs/dbraw/zinc/31/82/17/1158318217.db2.gz MEXYPJZTMIOLCK-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001565876115 1159919662 /nfs/dbraw/zinc/91/96/62/1159919662.db2.gz AGHCWNKTDIMYOX-KKUMJFAQSA-N 2 1 322.453 0.115 20 30 DCEDMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC#CCOC)CC[C@@H]2C1)[NH+](C)C ZINC001566049396 1159953974 /nfs/dbraw/zinc/95/39/74/1159953974.db2.gz BJSAEMIRXXKNPF-IKGGRYGDSA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001566101286 1159965030 /nfs/dbraw/zinc/96/50/30/1159965030.db2.gz ASXRBPLQDSRWKY-YVSFHVDLSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001566101286 1159965037 /nfs/dbraw/zinc/96/50/37/1159965037.db2.gz ASXRBPLQDSRWKY-YVSFHVDLSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001566101286 1159965043 /nfs/dbraw/zinc/96/50/43/1159965043.db2.gz ASXRBPLQDSRWKY-YVSFHVDLSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001566101286 1159965051 /nfs/dbraw/zinc/96/50/51/1159965051.db2.gz ASXRBPLQDSRWKY-YVSFHVDLSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)CCc1cncn1C ZINC001566513215 1160031028 /nfs/dbraw/zinc/03/10/28/1160031028.db2.gz UXPNTDYYBFKPSO-UHFFFAOYSA-N 2 1 306.410 0.441 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001566682977 1160128352 /nfs/dbraw/zinc/12/83/52/1160128352.db2.gz UDZWHBFMASIFEH-GJZGRUSLSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001566682977 1160128358 /nfs/dbraw/zinc/12/83/58/1160128358.db2.gz UDZWHBFMASIFEH-GJZGRUSLSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001566682977 1160128362 /nfs/dbraw/zinc/12/83/62/1160128362.db2.gz UDZWHBFMASIFEH-GJZGRUSLSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001566682977 1160128364 /nfs/dbraw/zinc/12/83/64/1160128364.db2.gz UDZWHBFMASIFEH-GJZGRUSLSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567409416 1160354909 /nfs/dbraw/zinc/35/49/09/1160354909.db2.gz HIGOMNWISPUGQB-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567409416 1160354914 /nfs/dbraw/zinc/35/49/14/1160354914.db2.gz HIGOMNWISPUGQB-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567409416 1160354921 /nfs/dbraw/zinc/35/49/21/1160354921.db2.gz HIGOMNWISPUGQB-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001567511481 1160402979 /nfs/dbraw/zinc/40/29/79/1160402979.db2.gz WALMGLFGOVMUEI-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001567511481 1160402981 /nfs/dbraw/zinc/40/29/81/1160402981.db2.gz WALMGLFGOVMUEI-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)CCC[NH+](C)C)CC1 ZINC001567718871 1160463893 /nfs/dbraw/zinc/46/38/93/1160463893.db2.gz DJOIGMASOGMYMF-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)CCC[NH+](C)C)CC1 ZINC001567718871 1160463897 /nfs/dbraw/zinc/46/38/97/1160463897.db2.gz DJOIGMASOGMYMF-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001568007863 1160561293 /nfs/dbraw/zinc/56/12/93/1160561293.db2.gz HAMPIZSWLYXSMR-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001569662547 1161188533 /nfs/dbraw/zinc/18/85/33/1161188533.db2.gz VUAQHVWFNNDVAD-YOEHRIQHSA-N 2 1 322.453 0.211 20 30 DCEDMP C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1=CC[N@@H+](C)CC1 ZINC001576186696 1164262893 /nfs/dbraw/zinc/26/28/93/1164262893.db2.gz QJPOLCCABLIDQA-IDSHBHDBSA-N 2 1 302.422 0.892 20 30 DCEDMP COC(=O)[C@@H]([NH2+]CCCNC(=O)C#CC1CC[NH2+]CC1)C(C)C ZINC001578829854 1165133877 /nfs/dbraw/zinc/13/38/77/1165133877.db2.gz MCGANWDTZIAXBR-INIZCTEOSA-N 2 1 323.437 0.283 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCOCC)C1 ZINC001663593267 1174328938 /nfs/dbraw/zinc/32/89/38/1174328938.db2.gz RKAZKPDYQLXPJU-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCOCC)C1 ZINC001663593267 1174328941 /nfs/dbraw/zinc/32/89/41/1174328941.db2.gz RKAZKPDYQLXPJU-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCOCC)C1 ZINC001663593267 1174328951 /nfs/dbraw/zinc/32/89/51/1174328951.db2.gz RKAZKPDYQLXPJU-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCOCC)C1 ZINC001663593267 1174328958 /nfs/dbraw/zinc/32/89/58/1174328958.db2.gz RKAZKPDYQLXPJU-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001666913911 1174646881 /nfs/dbraw/zinc/64/68/81/1174646881.db2.gz LVBUBOOQRASSBT-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001666921933 1174647214 /nfs/dbraw/zinc/64/72/14/1174647214.db2.gz VDMCDQWGOSLVIU-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001671437305 1175011854 /nfs/dbraw/zinc/01/18/54/1175011854.db2.gz QWHVCSRTLRMBFO-UHFFFAOYSA-N 2 1 322.453 0.355 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001671999377 1175058694 /nfs/dbraw/zinc/05/86/94/1175058694.db2.gz XBDKXINAFJNXHH-NVXWUHKLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOC)C1 ZINC001672809240 1175153875 /nfs/dbraw/zinc/15/38/75/1175153875.db2.gz ACPMLCFULLTNOI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOC)C1 ZINC001672809240 1175153879 /nfs/dbraw/zinc/15/38/79/1175153879.db2.gz ACPMLCFULLTNOI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001675159578 1175333181 /nfs/dbraw/zinc/33/31/81/1175333181.db2.gz AUTALIMOSJAKCI-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001675708806 1175386774 /nfs/dbraw/zinc/38/67/74/1175386774.db2.gz ZVJNTIXGOYHRTH-HOTGVXAUSA-N 2 1 319.449 0.559 20 30 DCEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001676082275 1175417653 /nfs/dbraw/zinc/41/76/53/1175417653.db2.gz IXKAWEYOSDZDDV-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001676082275 1175417656 /nfs/dbraw/zinc/41/76/56/1175417656.db2.gz IXKAWEYOSDZDDV-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001676082275 1175417658 /nfs/dbraw/zinc/41/76/58/1175417658.db2.gz IXKAWEYOSDZDDV-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001676082275 1175417659 /nfs/dbraw/zinc/41/76/59/1175417659.db2.gz IXKAWEYOSDZDDV-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001676614294 1175467685 /nfs/dbraw/zinc/46/76/85/1175467685.db2.gz BBPLKQXMSJLUHS-CVEARBPZSA-N 2 1 303.406 0.379 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001676966414 1175507716 /nfs/dbraw/zinc/50/77/16/1175507716.db2.gz XVSKYZSUMGPNCS-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(CC)CCO1 ZINC001687783873 1176289607 /nfs/dbraw/zinc/28/96/07/1176289607.db2.gz NRBAXNBJBZIDIT-OWCLPIDISA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCC(C)C)C1 ZINC001690341033 1177218483 /nfs/dbraw/zinc/21/84/83/1177218483.db2.gz IVWQCNYIXPPCCZ-BBWFWOEESA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCC(C)C)C1 ZINC001690341033 1177218492 /nfs/dbraw/zinc/21/84/92/1177218492.db2.gz IVWQCNYIXPPCCZ-BBWFWOEESA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001690367014 1177223445 /nfs/dbraw/zinc/22/34/45/1177223445.db2.gz YAZZVNSUVUHBAF-FPMFFAJLSA-N 2 1 319.409 0.119 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1OCC ZINC001692041947 1177407462 /nfs/dbraw/zinc/40/74/62/1177407462.db2.gz ASWBHRGWAXCQCU-ARFHVFGLSA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001698650907 1177600910 /nfs/dbraw/zinc/60/09/10/1177600910.db2.gz FBMNRJIGGXUTEP-YJBOKZPZSA-N 2 1 321.465 0.853 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001698901060 1177713852 /nfs/dbraw/zinc/71/38/52/1177713852.db2.gz LNJQSWUAYFCMJJ-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001698966805 1177740919 /nfs/dbraw/zinc/74/09/19/1177740919.db2.gz CWHYQXXIGCADAF-HNNXBMFYSA-N 2 1 306.410 0.572 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001699011496 1177769558 /nfs/dbraw/zinc/76/95/58/1177769558.db2.gz AJVGTCQMEJOWMO-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001699017429 1177772825 /nfs/dbraw/zinc/77/28/25/1177772825.db2.gz BAPPJWCADUAHPC-GXTWGEPZSA-N 2 1 304.394 0.858 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001699474050 1178154574 /nfs/dbraw/zinc/15/45/74/1178154574.db2.gz HYVUCDIQFFMPRV-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001699898493 1178346809 /nfs/dbraw/zinc/34/68/09/1178346809.db2.gz OBYOFCJSZIEWRS-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001699898493 1178346816 /nfs/dbraw/zinc/34/68/16/1178346816.db2.gz OBYOFCJSZIEWRS-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001699898493 1178346822 /nfs/dbraw/zinc/34/68/22/1178346822.db2.gz OBYOFCJSZIEWRS-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001700016956 1178431891 /nfs/dbraw/zinc/43/18/91/1178431891.db2.gz LQEXHRVSZLFUAC-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001700016956 1178431894 /nfs/dbraw/zinc/43/18/94/1178431894.db2.gz LQEXHRVSZLFUAC-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001700016956 1178431895 /nfs/dbraw/zinc/43/18/95/1178431895.db2.gz LQEXHRVSZLFUAC-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001700041545 1178455849 /nfs/dbraw/zinc/45/58/49/1178455849.db2.gz VKQDSDDMHLDMHB-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001700584709 1178667563 /nfs/dbraw/zinc/66/75/63/1178667563.db2.gz OVTSNTZUAXNUCO-OSYLJGHBSA-N 2 1 319.449 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001700584709 1178667580 /nfs/dbraw/zinc/66/75/80/1178667580.db2.gz OVTSNTZUAXNUCO-OSYLJGHBSA-N 2 1 319.449 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001700584709 1178667583 /nfs/dbraw/zinc/66/75/83/1178667583.db2.gz OVTSNTZUAXNUCO-OSYLJGHBSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001700638011 1178687153 /nfs/dbraw/zinc/68/71/53/1178687153.db2.gz HODXUNPOZLCPCY-KKUMJFAQSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC#CCOC)C1 ZINC001701020105 1178879616 /nfs/dbraw/zinc/87/96/16/1178879616.db2.gz ZRKAXUADWIYHFO-JCYILVPMSA-N 2 1 317.433 0.313 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC#CCOC)C1 ZINC001701020105 1178879627 /nfs/dbraw/zinc/87/96/27/1178879627.db2.gz ZRKAXUADWIYHFO-JCYILVPMSA-N 2 1 317.433 0.313 20 30 DCEDMP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001707139770 1180422712 /nfs/dbraw/zinc/42/27/12/1180422712.db2.gz LOQZSSIWRRMWQC-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccnn1C ZINC001713316581 1180764100 /nfs/dbraw/zinc/76/41/00/1180764100.db2.gz UHUUGJPVTIQQJB-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccnn1C ZINC001713316581 1180764106 /nfs/dbraw/zinc/76/41/06/1180764106.db2.gz UHUUGJPVTIQQJB-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001713551899 1180916842 /nfs/dbraw/zinc/91/68/42/1180916842.db2.gz DWRMMSADBFJLBH-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001714001672 1181195317 /nfs/dbraw/zinc/19/53/17/1181195317.db2.gz ALEVTXNCLHIXCT-KBXIAJHMSA-N 2 1 322.453 0.398 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714048189 1181224181 /nfs/dbraw/zinc/22/41/81/1181224181.db2.gz LIYKNQHXROLCDY-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001714048189 1181224186 /nfs/dbraw/zinc/22/41/86/1181224186.db2.gz LIYKNQHXROLCDY-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001714048189 1181224189 /nfs/dbraw/zinc/22/41/89/1181224189.db2.gz LIYKNQHXROLCDY-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714048191 1181224760 /nfs/dbraw/zinc/22/47/60/1181224760.db2.gz LIYKNQHXROLCDY-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001714048191 1181224764 /nfs/dbraw/zinc/22/47/64/1181224764.db2.gz LIYKNQHXROLCDY-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001714048191 1181224773 /nfs/dbraw/zinc/22/47/73/1181224773.db2.gz LIYKNQHXROLCDY-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001714291056 1181309276 /nfs/dbraw/zinc/30/92/76/1181309276.db2.gz KUJCSPWHNHEYAC-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001714291056 1181309290 /nfs/dbraw/zinc/30/92/90/1181309290.db2.gz KUJCSPWHNHEYAC-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001714886391 1181584634 /nfs/dbraw/zinc/58/46/34/1181584634.db2.gz AUZREOBNIZGAIC-UHFFFAOYSA-N 2 1 306.454 0.037 20 30 DCEDMP C=CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001714887867 1181586936 /nfs/dbraw/zinc/58/69/36/1181586936.db2.gz PGPNZHNUHPMMMP-IRXDYDNUSA-N 2 1 322.497 0.979 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCC(C)(C)C ZINC001715586089 1181876317 /nfs/dbraw/zinc/87/63/17/1181876317.db2.gz MWATZDVOFKTAJM-HOTGVXAUSA-N 2 1 323.481 0.977 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCC(C)(C)C ZINC001715586089 1181876321 /nfs/dbraw/zinc/87/63/21/1181876321.db2.gz MWATZDVOFKTAJM-HOTGVXAUSA-N 2 1 323.481 0.977 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716086376 1182181917 /nfs/dbraw/zinc/18/19/17/1182181917.db2.gz VWPCHEFVWDUZIH-HOCLYGCPSA-N 2 1 307.438 0.341 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001716506275 1182419399 /nfs/dbraw/zinc/41/93/99/1182419399.db2.gz YWVKLTUBCCMDGB-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001716918522 1182572876 /nfs/dbraw/zinc/57/28/76/1182572876.db2.gz HTJQIWOOCGUSPI-FUHWJXTLSA-N 2 1 321.465 0.847 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001717062293 1182659519 /nfs/dbraw/zinc/65/95/19/1182659519.db2.gz OQDZADQOEAATJC-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001717176365 1182711079 /nfs/dbraw/zinc/71/10/79/1182711079.db2.gz WACHTVAZWKHOII-CYBMUJFWSA-N 2 1 308.382 0.353 20 30 DCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001717564585 1182902565 /nfs/dbraw/zinc/90/25/65/1182902565.db2.gz JGKNSHXACJVJRW-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001717564585 1182902567 /nfs/dbraw/zinc/90/25/67/1182902567.db2.gz JGKNSHXACJVJRW-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001717626919 1182930136 /nfs/dbraw/zinc/93/01/36/1182930136.db2.gz PVDRIUYHSUELGB-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001717626919 1182930140 /nfs/dbraw/zinc/93/01/40/1182930140.db2.gz PVDRIUYHSUELGB-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001717626919 1182930144 /nfs/dbraw/zinc/93/01/44/1182930144.db2.gz PVDRIUYHSUELGB-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCO)CC1 ZINC001724065365 1184374324 /nfs/dbraw/zinc/37/43/24/1184374324.db2.gz TUDNCJDPFJOZIT-IYBDPMFKSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724402895 1184431387 /nfs/dbraw/zinc/43/13/87/1184431387.db2.gz UEFIBXLNIDIICD-SFHVURJKSA-N 2 1 319.449 0.439 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001724812742 1184569149 /nfs/dbraw/zinc/56/91/49/1184569149.db2.gz KAHJIVBHJYDQHM-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001725245952 1184734955 /nfs/dbraw/zinc/73/49/55/1184734955.db2.gz FCVNNLHQDKIYAG-YOEHRIQHSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725283966 1184752571 /nfs/dbraw/zinc/75/25/71/1184752571.db2.gz OBIUPIFHYXKNPN-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725283966 1184752581 /nfs/dbraw/zinc/75/25/81/1184752581.db2.gz OBIUPIFHYXKNPN-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725696162 1184948560 /nfs/dbraw/zinc/94/85/60/1184948560.db2.gz SAUPHDWKNYKEHQ-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001731364209 1185297872 /nfs/dbraw/zinc/29/78/72/1185297872.db2.gz CAIQBEWMHFOTNI-CALCHBBNSA-N 2 1 320.481 0.616 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001731441412 1185334058 /nfs/dbraw/zinc/33/40/58/1185334058.db2.gz GDMQGNFZTGPQPU-AAVRWANBSA-N 2 1 308.426 0.008 20 30 DCEDMP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001732042802 1185645691 /nfs/dbraw/zinc/64/56/91/1185645691.db2.gz ZAMMPWIDTRHFFO-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001732042802 1185645694 /nfs/dbraw/zinc/64/56/94/1185645694.db2.gz ZAMMPWIDTRHFFO-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001732042802 1185645697 /nfs/dbraw/zinc/64/56/97/1185645697.db2.gz ZAMMPWIDTRHFFO-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001732042802 1185645711 /nfs/dbraw/zinc/64/57/11/1185645711.db2.gz ZAMMPWIDTRHFFO-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001732171193 1185718806 /nfs/dbraw/zinc/71/88/06/1185718806.db2.gz RDZNFIYWSBFOIU-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001732288511 1185757415 /nfs/dbraw/zinc/75/74/15/1185757415.db2.gz NAKXALRTPOCFNG-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001732288511 1185757416 /nfs/dbraw/zinc/75/74/16/1185757416.db2.gz NAKXALRTPOCFNG-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001732324581 1185765450 /nfs/dbraw/zinc/76/54/50/1185765450.db2.gz FHCKZCSKRGYQSW-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001732324581 1185765456 /nfs/dbraw/zinc/76/54/56/1185765456.db2.gz FHCKZCSKRGYQSW-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001732324582 1185765757 /nfs/dbraw/zinc/76/57/57/1185765757.db2.gz FHCKZCSKRGYQSW-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001732324582 1185765760 /nfs/dbraw/zinc/76/57/60/1185765760.db2.gz FHCKZCSKRGYQSW-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cncn1C ZINC001732347420 1185774576 /nfs/dbraw/zinc/77/45/76/1185774576.db2.gz JARRPWHYKLONIO-ZBFHGGJFSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cncn1C ZINC001732347420 1185774579 /nfs/dbraw/zinc/77/45/79/1185774579.db2.gz JARRPWHYKLONIO-ZBFHGGJFSA-N 2 1 317.437 0.360 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001732368502 1185781998 /nfs/dbraw/zinc/78/19/98/1185781998.db2.gz VSZMGFPCBFLYTB-RDJZCZTQSA-N 2 1 307.438 0.464 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCCOC1 ZINC001732858608 1186019211 /nfs/dbraw/zinc/01/92/11/1186019211.db2.gz DVPZVMUYNZXALU-YRLOJYSSSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCCOC1 ZINC001732858608 1186019217 /nfs/dbraw/zinc/01/92/17/1186019217.db2.gz DVPZVMUYNZXALU-YRLOJYSSSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001733044147 1186115895 /nfs/dbraw/zinc/11/58/95/1186115895.db2.gz VOGUBSPEFNZEKF-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC001733106145 1186141208 /nfs/dbraw/zinc/14/12/08/1186141208.db2.gz KMYLUQMYEDMIAQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC001733106145 1186141210 /nfs/dbraw/zinc/14/12/10/1186141210.db2.gz KMYLUQMYEDMIAQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001733343623 1186234281 /nfs/dbraw/zinc/23/42/81/1186234281.db2.gz QYZNSDNNVBJODR-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCCO)CC1 ZINC001733372702 1186244420 /nfs/dbraw/zinc/24/44/20/1186244420.db2.gz SXMNQIIJRTVHCX-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001733743460 1186427564 /nfs/dbraw/zinc/42/75/64/1186427564.db2.gz NQMHQIWUUGLCEF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001734167017 1186566429 /nfs/dbraw/zinc/56/64/29/1186566429.db2.gz FTHSNUCVQXLEEM-PHZGNYQRSA-N 2 1 307.438 0.272 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001734520825 1186673995 /nfs/dbraw/zinc/67/39/95/1186673995.db2.gz DIMVSDBATKACJI-HNNXBMFYSA-N 2 1 309.454 0.682 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001734528313 1186678399 /nfs/dbraw/zinc/67/83/99/1186678399.db2.gz WGTXMHMCOWJXSA-CVEARBPZSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001752382101 1188420060 /nfs/dbraw/zinc/42/00/60/1188420060.db2.gz QXIDUFDQOKJSSM-KRWDZBQOSA-N 2 1 320.481 0.474 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001752786624 1188441520 /nfs/dbraw/zinc/44/15/20/1188441520.db2.gz WAFRCMBATMASLM-CQSZACIVSA-N 2 1 310.442 0.069 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001753109206 1188501577 /nfs/dbraw/zinc/50/15/77/1188501577.db2.gz BTSRYJBKEVSFRT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001753109206 1188501580 /nfs/dbraw/zinc/50/15/80/1188501580.db2.gz BTSRYJBKEVSFRT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001753367338 1188574231 /nfs/dbraw/zinc/57/42/31/1188574231.db2.gz GOBUMANNXYNHOZ-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001753367338 1188574234 /nfs/dbraw/zinc/57/42/34/1188574234.db2.gz GOBUMANNXYNHOZ-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001753367338 1188574237 /nfs/dbraw/zinc/57/42/37/1188574237.db2.gz GOBUMANNXYNHOZ-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001753367338 1188574239 /nfs/dbraw/zinc/57/42/39/1188574239.db2.gz GOBUMANNXYNHOZ-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]CC#CCOC)CCCC1 ZINC001753510085 1188611469 /nfs/dbraw/zinc/61/14/69/1188611469.db2.gz KXSHDTMAPBACRZ-UHFFFAOYSA-N 2 1 309.454 0.997 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001753902882 1188675201 /nfs/dbraw/zinc/67/52/01/1188675201.db2.gz TYAUXSWCQBCBEN-HOTGVXAUSA-N 2 1 318.421 0.716 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001754309104 1188816114 /nfs/dbraw/zinc/81/61/14/1188816114.db2.gz HYDTVZAJDOYYTC-GOEBONIOSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nccn1C ZINC001754376370 1188836718 /nfs/dbraw/zinc/83/67/18/1188836718.db2.gz GNDFUOYXIINANW-HNNXBMFYSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nccn1C ZINC001754376370 1188836722 /nfs/dbraw/zinc/83/67/22/1188836722.db2.gz GNDFUOYXIINANW-HNNXBMFYSA-N 2 1 317.437 0.456 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001754414320 1188849436 /nfs/dbraw/zinc/84/94/36/1188849436.db2.gz ZZKCACFMTDBPLG-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001754600545 1188887975 /nfs/dbraw/zinc/88/79/75/1188887975.db2.gz DXRWLKCUQCWDAO-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001754761970 1188927271 /nfs/dbraw/zinc/92/72/71/1188927271.db2.gz GWZGHVXGMJXFEN-SFHVURJKSA-N 2 1 317.433 0.857 20 30 DCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001754761970 1188927275 /nfs/dbraw/zinc/92/72/75/1188927275.db2.gz GWZGHVXGMJXFEN-SFHVURJKSA-N 2 1 317.433 0.857 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754761970 1188927280 /nfs/dbraw/zinc/92/72/80/1188927280.db2.gz GWZGHVXGMJXFEN-SFHVURJKSA-N 2 1 317.433 0.857 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754761970 1188927284 /nfs/dbraw/zinc/92/72/84/1188927284.db2.gz GWZGHVXGMJXFEN-SFHVURJKSA-N 2 1 317.433 0.857 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001754850153 1188948162 /nfs/dbraw/zinc/94/81/62/1188948162.db2.gz VSRBSOQMVTWNJE-MRXNPFEDSA-N 2 1 320.481 0.522 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001755015732 1188996714 /nfs/dbraw/zinc/99/67/14/1188996714.db2.gz MEGAZUPLRWKUGX-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001755160076 1189040115 /nfs/dbraw/zinc/04/01/15/1189040115.db2.gz FGAOVFPPRYYYBF-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001755441949 1189113773 /nfs/dbraw/zinc/11/37/73/1189113773.db2.gz LVLLAMXSDWKLBN-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755587642 1189153143 /nfs/dbraw/zinc/15/31/43/1189153143.db2.gz IBLLOMYVVVLCGZ-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755801207 1189221700 /nfs/dbraw/zinc/22/17/00/1189221700.db2.gz WQVVZVYTJZWQJY-CVEARBPZSA-N 2 1 307.438 0.103 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001755837372 1189231897 /nfs/dbraw/zinc/23/18/97/1189231897.db2.gz PBOQHSLZIQESBK-OAHLLOKOSA-N 2 1 320.437 0.962 20 30 DCEDMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001755884299 1189247329 /nfs/dbraw/zinc/24/73/29/1189247329.db2.gz OQXCGIAOCOLESK-MRXNPFEDSA-N 2 1 323.437 0.268 20 30 DCEDMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001755884299 1189247332 /nfs/dbraw/zinc/24/73/32/1189247332.db2.gz OQXCGIAOCOLESK-MRXNPFEDSA-N 2 1 323.437 0.268 20 30 DCEDMP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001755884299 1189247340 /nfs/dbraw/zinc/24/73/40/1189247340.db2.gz OQXCGIAOCOLESK-MRXNPFEDSA-N 2 1 323.437 0.268 20 30 DCEDMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001755884299 1189247343 /nfs/dbraw/zinc/24/73/43/1189247343.db2.gz OQXCGIAOCOLESK-MRXNPFEDSA-N 2 1 323.437 0.268 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC(C)(C)C1 ZINC001089562253 751440932 /nfs/dbraw/zinc/44/09/32/751440932.db2.gz YPKHVVGYIJSELM-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC(C)(C)C1 ZINC001089562253 751440935 /nfs/dbraw/zinc/44/09/35/751440935.db2.gz YPKHVVGYIJSELM-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089562253 751440938 /nfs/dbraw/zinc/44/09/38/751440938.db2.gz YPKHVVGYIJSELM-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089562253 751440942 /nfs/dbraw/zinc/44/09/42/751440942.db2.gz YPKHVVGYIJSELM-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106980821 751706567 /nfs/dbraw/zinc/70/65/67/751706567.db2.gz BTHRGIQAVOFOQK-OWCLPIDISA-N 2 1 307.438 0.272 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077585207 751891625 /nfs/dbraw/zinc/89/16/25/751891625.db2.gz VKOKTSCXYXFIHX-NUEKZKHPSA-N 2 1 318.421 0.491 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077585207 751891633 /nfs/dbraw/zinc/89/16/33/751891633.db2.gz VKOKTSCXYXFIHX-NUEKZKHPSA-N 2 1 318.421 0.491 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001114956628 746983198 /nfs/dbraw/zinc/98/31/98/746983198.db2.gz LUYKKWOOQYEWRI-ARLBYUKCSA-N 2 1 318.421 0.837 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001114956628 746983203 /nfs/dbraw/zinc/98/32/03/746983203.db2.gz LUYKKWOOQYEWRI-ARLBYUKCSA-N 2 1 318.421 0.837 20 30 DCEDMP C=C(C)C(=O)NCCCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001167665162 747463461 /nfs/dbraw/zinc/46/34/61/747463461.db2.gz GAZGKAGZRBHFQM-UHFFFAOYSA-N 2 1 304.398 0.381 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086557040 761899825 /nfs/dbraw/zinc/89/98/25/761899825.db2.gz VKWMMBOLBFLJGJ-MGPQQGTHSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086557040 761899839 /nfs/dbraw/zinc/89/98/39/761899839.db2.gz VKWMMBOLBFLJGJ-MGPQQGTHSA-N 2 1 315.845 0.944 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H](O)C1 ZINC001083461083 749797974 /nfs/dbraw/zinc/79/79/74/749797974.db2.gz MFACKRFMJVSCNM-CABCVRRESA-N 2 1 312.373 0.441 20 30 DCEDMP CC#CCN1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083525044 750097700 /nfs/dbraw/zinc/09/77/00/750097700.db2.gz WZSQPFHMSNILDD-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083525044 750097704 /nfs/dbraw/zinc/09/77/04/750097704.db2.gz WZSQPFHMSNILDD-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083525044 750097711 /nfs/dbraw/zinc/09/77/11/750097711.db2.gz WZSQPFHMSNILDD-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083525044 750097717 /nfs/dbraw/zinc/09/77/17/750097717.db2.gz WZSQPFHMSNILDD-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083525044 750097724 /nfs/dbraw/zinc/09/77/24/750097724.db2.gz WZSQPFHMSNILDD-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083525045 750097888 /nfs/dbraw/zinc/09/78/88/750097888.db2.gz WZSQPFHMSNILDD-XHSDSOJGSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083525045 750097896 /nfs/dbraw/zinc/09/78/96/750097896.db2.gz WZSQPFHMSNILDD-XHSDSOJGSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083525045 750097901 /nfs/dbraw/zinc/09/79/01/750097901.db2.gz WZSQPFHMSNILDD-XHSDSOJGSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083525045 750097907 /nfs/dbraw/zinc/09/79/07/750097907.db2.gz WZSQPFHMSNILDD-XHSDSOJGSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083525045 750097913 /nfs/dbraw/zinc/09/79/13/750097913.db2.gz WZSQPFHMSNILDD-XHSDSOJGSA-N 2 1 307.438 0.434 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127972 750214663 /nfs/dbraw/zinc/21/46/63/750214663.db2.gz RQLYFEHLCGZNTK-ARFHVFGLSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127972 750214668 /nfs/dbraw/zinc/21/46/68/750214668.db2.gz RQLYFEHLCGZNTK-ARFHVFGLSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127972 750214674 /nfs/dbraw/zinc/21/46/74/750214674.db2.gz RQLYFEHLCGZNTK-ARFHVFGLSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780164 750976062 /nfs/dbraw/zinc/97/60/62/750976062.db2.gz RCTDYQGCIJGQKB-ZFWWWQNUSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780164 750976064 /nfs/dbraw/zinc/97/60/64/750976064.db2.gz RCTDYQGCIJGQKB-ZFWWWQNUSA-N 2 1 318.425 0.279 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CC#C)C2 ZINC001112404163 751315749 /nfs/dbraw/zinc/31/57/49/751315749.db2.gz KFBFLQPNVBYXKK-LNLFQRSKSA-N 2 1 313.445 0.936 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CC#C)C2 ZINC001112404163 751315754 /nfs/dbraw/zinc/31/57/54/751315754.db2.gz KFBFLQPNVBYXKK-LNLFQRSKSA-N 2 1 313.445 0.936 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2O)CC1 ZINC001078227119 753122501 /nfs/dbraw/zinc/12/25/01/753122501.db2.gz JUMVJLKMVUHCSQ-IAGOWNOFSA-N 2 1 321.465 0.539 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082979 753471943 /nfs/dbraw/zinc/47/19/43/753471943.db2.gz ZINXALHOPUEFSM-KRWDZBQOSA-N 2 1 320.481 0.877 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831538 753956642 /nfs/dbraw/zinc/95/66/42/753956642.db2.gz QDXRNGKPJFTPQU-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047469719 754309339 /nfs/dbraw/zinc/30/93/39/754309339.db2.gz AINDIOSJXTYLIW-JYJNAYRXSA-N 2 1 307.438 0.550 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047469719 754309343 /nfs/dbraw/zinc/30/93/43/754309343.db2.gz AINDIOSJXTYLIW-JYJNAYRXSA-N 2 1 307.438 0.550 20 30 DCEDMP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047501808 754338432 /nfs/dbraw/zinc/33/84/32/754338432.db2.gz WDYJQQILTZOCQT-VGWMRTNUSA-N 2 1 307.438 0.244 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047501808 754338435 /nfs/dbraw/zinc/33/84/35/754338435.db2.gz WDYJQQILTZOCQT-VGWMRTNUSA-N 2 1 307.438 0.244 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047501808 754338439 /nfs/dbraw/zinc/33/84/39/754338439.db2.gz WDYJQQILTZOCQT-VGWMRTNUSA-N 2 1 307.438 0.244 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047501808 754338443 /nfs/dbraw/zinc/33/84/43/754338443.db2.gz WDYJQQILTZOCQT-VGWMRTNUSA-N 2 1 307.438 0.244 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047501808 754338445 /nfs/dbraw/zinc/33/84/45/754338445.db2.gz WDYJQQILTZOCQT-VGWMRTNUSA-N 2 1 307.438 0.244 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047501856 754339197 /nfs/dbraw/zinc/33/91/97/754339197.db2.gz YEDJAXXWWXHUPF-VGWMRTNUSA-N 2 1 309.454 0.796 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511904 754346311 /nfs/dbraw/zinc/34/63/11/754346311.db2.gz YAUQZNKCSLVFEM-HOTGVXAUSA-N 2 1 309.454 0.798 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001049672759 755356414 /nfs/dbraw/zinc/35/64/14/755356414.db2.gz NTQSRETXJZNPOP-ZACQAIPSSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001049672759 755356416 /nfs/dbraw/zinc/35/64/16/755356416.db2.gz NTQSRETXJZNPOP-ZACQAIPSSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049672759 755356419 /nfs/dbraw/zinc/35/64/19/755356419.db2.gz NTQSRETXJZNPOP-ZACQAIPSSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049672759 755356421 /nfs/dbraw/zinc/35/64/21/755356421.db2.gz NTQSRETXJZNPOP-ZACQAIPSSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049790957 755400417 /nfs/dbraw/zinc/40/04/17/755400417.db2.gz OWIXQDXKMWGDMC-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049790957 755400424 /nfs/dbraw/zinc/40/04/24/755400424.db2.gz OWIXQDXKMWGDMC-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C)C[C@H]2OC)CC1 ZINC001082384072 757090299 /nfs/dbraw/zinc/09/02/99/757090299.db2.gz BKJQEQQDRCKANS-HZPDHXFCSA-N 2 1 305.422 0.333 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C)C[C@H]2OC)CC1 ZINC001082384072 757090313 /nfs/dbraw/zinc/09/03/13/757090313.db2.gz BKJQEQQDRCKANS-HZPDHXFCSA-N 2 1 305.422 0.333 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001082558560 757186207 /nfs/dbraw/zinc/18/62/07/757186207.db2.gz XKXOKAKHLFGPOM-DJIMGWMZSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083080351 757480519 /nfs/dbraw/zinc/48/05/19/757480519.db2.gz NZTZHQPMXISWEQ-YESZJQIVSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083080351 757480523 /nfs/dbraw/zinc/48/05/23/757480523.db2.gz NZTZHQPMXISWEQ-YESZJQIVSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080351 757480527 /nfs/dbraw/zinc/48/05/27/757480527.db2.gz NZTZHQPMXISWEQ-YESZJQIVSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080351 757480529 /nfs/dbraw/zinc/48/05/29/757480529.db2.gz NZTZHQPMXISWEQ-YESZJQIVSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083936985 757556071 /nfs/dbraw/zinc/55/60/71/757556071.db2.gz FXQCQJPRMNIKOW-SJORKVTESA-N 2 1 319.449 0.293 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251660 757736345 /nfs/dbraw/zinc/73/63/45/757736345.db2.gz VUUDOTIBDCAFMN-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251660 757736348 /nfs/dbraw/zinc/73/63/48/757736348.db2.gz VUUDOTIBDCAFMN-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251660 757736353 /nfs/dbraw/zinc/73/63/53/757736353.db2.gz VUUDOTIBDCAFMN-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251660 757736355 /nfs/dbraw/zinc/73/63/55/757736355.db2.gz VUUDOTIBDCAFMN-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)CC1 ZINC001050633349 757913192 /nfs/dbraw/zinc/91/31/92/757913192.db2.gz RJCRKHPIKZVKCV-INIZCTEOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607094 757927561 /nfs/dbraw/zinc/92/75/61/757927561.db2.gz LCRVHTGMTQLBFP-BRWVUGGUSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607094 757927562 /nfs/dbraw/zinc/92/75/62/757927562.db2.gz LCRVHTGMTQLBFP-BRWVUGGUSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607094 757927565 /nfs/dbraw/zinc/92/75/65/757927565.db2.gz LCRVHTGMTQLBFP-BRWVUGGUSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607094 757927568 /nfs/dbraw/zinc/92/75/68/757927568.db2.gz LCRVHTGMTQLBFP-BRWVUGGUSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001084851356 758082425 /nfs/dbraw/zinc/08/24/25/758082425.db2.gz YTAKZHIJCYISBE-QZTJIDSGSA-N 2 1 313.445 0.888 20 30 DCEDMP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051996480 759099883 /nfs/dbraw/zinc/09/98/83/759099883.db2.gz NGRLGBXNBYEISN-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001108214115 759394008 /nfs/dbraw/zinc/39/40/08/759394008.db2.gz ZGUAUIIUFJGVHL-WBVHZDCISA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108214115 759394020 /nfs/dbraw/zinc/39/40/20/759394020.db2.gz ZGUAUIIUFJGVHL-WBVHZDCISA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108214115 759394031 /nfs/dbraw/zinc/39/40/31/759394031.db2.gz ZGUAUIIUFJGVHL-WBVHZDCISA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108214115 759394044 /nfs/dbraw/zinc/39/40/44/759394044.db2.gz ZGUAUIIUFJGVHL-WBVHZDCISA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052488851 759445856 /nfs/dbraw/zinc/44/58/56/759445856.db2.gz JXZQDPHUZDYWOB-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052488851 759445866 /nfs/dbraw/zinc/44/58/66/759445866.db2.gz JXZQDPHUZDYWOB-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052488851 759445874 /nfs/dbraw/zinc/44/58/74/759445874.db2.gz JXZQDPHUZDYWOB-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052488851 759445881 /nfs/dbraw/zinc/44/58/81/759445881.db2.gz JXZQDPHUZDYWOB-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900205 767878418 /nfs/dbraw/zinc/87/84/18/767878418.db2.gz JVVAMRAYYPNLRP-OAHLLOKOSA-N 2 1 322.453 0.235 20 30 DCEDMP C=CCN1CCO[C@@](C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001108368755 760435746 /nfs/dbraw/zinc/43/57/46/760435746.db2.gz CGMSBIGLZNKMJH-IRXDYDNUSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070435882 761236442 /nfs/dbraw/zinc/23/64/42/761236442.db2.gz UWMUFUAXIQJTRO-KGLIPLIRSA-N 2 1 315.421 0.400 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070435882 761236446 /nfs/dbraw/zinc/23/64/46/761236446.db2.gz UWMUFUAXIQJTRO-KGLIPLIRSA-N 2 1 315.421 0.400 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070435882 761236450 /nfs/dbraw/zinc/23/64/50/761236450.db2.gz UWMUFUAXIQJTRO-KGLIPLIRSA-N 2 1 315.421 0.400 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001091749136 768036952 /nfs/dbraw/zinc/03/69/52/768036952.db2.gz APQZGQBPXCDPFW-RYRKJORJSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1 ZINC001091749136 768036955 /nfs/dbraw/zinc/03/69/55/768036955.db2.gz APQZGQBPXCDPFW-RYRKJORJSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCO)C[C@@]2(C)C1 ZINC001091749136 768036959 /nfs/dbraw/zinc/03/69/59/768036959.db2.gz APQZGQBPXCDPFW-RYRKJORJSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCO)C[C@@]2(C)C1 ZINC001091749136 768036963 /nfs/dbraw/zinc/03/69/63/768036963.db2.gz APQZGQBPXCDPFW-RYRKJORJSA-N 2 1 319.449 0.247 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100140709 761685007 /nfs/dbraw/zinc/68/50/07/761685007.db2.gz AJBUQNTUGHRQSB-IAGOWNOFSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099330696 762865248 /nfs/dbraw/zinc/86/52/48/762865248.db2.gz COALONZCLRJUCB-JHJVBQTASA-N 2 1 317.355 0.940 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC2(CCOCC2)C1 ZINC001099594733 762908700 /nfs/dbraw/zinc/90/87/00/762908700.db2.gz JUDPVLSTGZUWDC-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC2(CCOCC2)C1 ZINC001099594733 762908702 /nfs/dbraw/zinc/90/87/02/762908702.db2.gz JUDPVLSTGZUWDC-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430901 762941358 /nfs/dbraw/zinc/94/13/58/762941358.db2.gz ZJMPLGZIDIIHOF-MRXNPFEDSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(CC)CC ZINC001129790670 763004716 /nfs/dbraw/zinc/00/47/16/763004716.db2.gz GNIUDKVSUTXOGQ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)N(CC)CC ZINC001129790670 763004724 /nfs/dbraw/zinc/00/47/24/763004724.db2.gz GNIUDKVSUTXOGQ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075930 763285155 /nfs/dbraw/zinc/28/51/55/763285155.db2.gz CKCUCBQOEHGBLG-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141543 763347046 /nfs/dbraw/zinc/34/70/46/763347046.db2.gz VPNMUBCELKDUIE-JKSUJKDBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141108 763348222 /nfs/dbraw/zinc/34/82/22/763348222.db2.gz LWCUBYODHKXGNZ-DLBZAZTESA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130708637 763455272 /nfs/dbraw/zinc/45/52/72/763455272.db2.gz BUFJEQYTABEYAJ-CABCVRRESA-N 2 1 324.469 0.503 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952315 768170547 /nfs/dbraw/zinc/17/05/47/768170547.db2.gz HWSYVRHRKMWSCB-RYRKJORJSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952315 768170553 /nfs/dbraw/zinc/17/05/53/768170553.db2.gz HWSYVRHRKMWSCB-RYRKJORJSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952315 768170557 /nfs/dbraw/zinc/17/05/57/768170557.db2.gz HWSYVRHRKMWSCB-RYRKJORJSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952315 768170562 /nfs/dbraw/zinc/17/05/62/768170562.db2.gz HWSYVRHRKMWSCB-RYRKJORJSA-N 2 1 319.449 0.509 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460777 764103052 /nfs/dbraw/zinc/10/30/52/764103052.db2.gz XAXGGBDYWANXFX-JZXOWHBKSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460777 764103054 /nfs/dbraw/zinc/10/30/54/764103054.db2.gz XAXGGBDYWANXFX-JZXOWHBKSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460777 764103057 /nfs/dbraw/zinc/10/30/57/764103057.db2.gz XAXGGBDYWANXFX-JZXOWHBKSA-N 2 1 321.465 0.921 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@@H]1C ZINC001132128818 764263575 /nfs/dbraw/zinc/26/35/75/764263575.db2.gz OTAHWTIRJXSWIZ-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@@H]1C ZINC001132128818 764263582 /nfs/dbraw/zinc/26/35/82/764263582.db2.gz OTAHWTIRJXSWIZ-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269450 764347086 /nfs/dbraw/zinc/34/70/86/764347086.db2.gz KDEGYPKVPSFGOT-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269450 764347093 /nfs/dbraw/zinc/34/70/93/764347093.db2.gz KDEGYPKVPSFGOT-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132369404 764411365 /nfs/dbraw/zinc/41/13/65/764411365.db2.gz WWXXCPOUBBZQRR-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132369404 764411371 /nfs/dbraw/zinc/41/13/71/764411371.db2.gz WWXXCPOUBBZQRR-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384880 764623438 /nfs/dbraw/zinc/62/34/38/764623438.db2.gz GQSGQYXMMVITGG-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033929 765243629 /nfs/dbraw/zinc/24/36/29/765243629.db2.gz LSRNYJOCFSWYEO-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033929 765243635 /nfs/dbraw/zinc/24/36/35/765243635.db2.gz LSRNYJOCFSWYEO-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033700 765243919 /nfs/dbraw/zinc/24/39/19/765243919.db2.gz DBCGXLUKFBJGMH-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033700 765243924 /nfs/dbraw/zinc/24/39/24/765243924.db2.gz DBCGXLUKFBJGMH-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905382 765422804 /nfs/dbraw/zinc/42/28/04/765422804.db2.gz AHWDWTUVNSYGAK-WMZOPIPTSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905382 765422811 /nfs/dbraw/zinc/42/28/11/765422811.db2.gz AHWDWTUVNSYGAK-WMZOPIPTSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115143779 765606449 /nfs/dbraw/zinc/60/64/49/765606449.db2.gz KVQCEYUBOXYKKT-QLPKVWCKSA-N 2 1 307.438 0.415 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001124873223 768319372 /nfs/dbraw/zinc/31/93/72/768319372.db2.gz UBGPEFPUSBPGAZ-HNNXBMFYSA-N 2 1 304.369 0.997 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882173 766150140 /nfs/dbraw/zinc/15/01/40/766150140.db2.gz IOZIOUYAPYABQJ-KGLIPLIRSA-N 2 1 312.458 0.503 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090542225 766304740 /nfs/dbraw/zinc/30/47/40/766304740.db2.gz BOLBLPHPCKLTEE-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090610924 766371836 /nfs/dbraw/zinc/37/18/36/766371836.db2.gz WTKXODCAMGFVHG-JKSUJKDBSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090671030 766452483 /nfs/dbraw/zinc/45/24/83/766452483.db2.gz FUXXYSYGUFDVMM-CVEARBPZSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090694477 766482686 /nfs/dbraw/zinc/48/26/86/766482686.db2.gz ZUEISXYNEVAFKR-CVEARBPZSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090694477 766482695 /nfs/dbraw/zinc/48/26/95/766482695.db2.gz ZUEISXYNEVAFKR-CVEARBPZSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCO ZINC001171308856 767767968 /nfs/dbraw/zinc/76/79/68/767767968.db2.gz XXYBTXFKCOAVIN-HOTGVXAUSA-N 2 1 309.454 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCO ZINC001171308856 767767971 /nfs/dbraw/zinc/76/79/71/767767971.db2.gz XXYBTXFKCOAVIN-HOTGVXAUSA-N 2 1 309.454 0.731 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724224 767831298 /nfs/dbraw/zinc/83/12/98/767831298.db2.gz HZKFUOIUMDUNJV-MRXNPFEDSA-N 2 1 319.449 0.511 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001125214934 768376742 /nfs/dbraw/zinc/37/67/42/768376742.db2.gz XWRZSEVGBMTRML-INIZCTEOSA-N 2 1 301.390 0.075 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001125214934 768376751 /nfs/dbraw/zinc/37/67/51/768376751.db2.gz XWRZSEVGBMTRML-INIZCTEOSA-N 2 1 301.390 0.075 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842738 768402019 /nfs/dbraw/zinc/40/20/19/768402019.db2.gz MZTMUJSPSYGTSK-MYPHYYIGSA-N 2 1 319.449 0.720 20 30 DCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842738 768402024 /nfs/dbraw/zinc/40/20/24/768402024.db2.gz MZTMUJSPSYGTSK-MYPHYYIGSA-N 2 1 319.449 0.720 20 30 DCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842738 768402031 /nfs/dbraw/zinc/40/20/31/768402031.db2.gz MZTMUJSPSYGTSK-MYPHYYIGSA-N 2 1 319.449 0.720 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149841699 768878659 /nfs/dbraw/zinc/87/86/59/768878659.db2.gz IWNGVIROXUHRDS-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149848673 768882451 /nfs/dbraw/zinc/88/24/51/768882451.db2.gz NEVYMTAOWQUXAW-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291137 769058767 /nfs/dbraw/zinc/05/87/67/769058767.db2.gz JMIVTHKOKPAWIS-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417404 769089673 /nfs/dbraw/zinc/08/96/73/769089673.db2.gz KEFKZRAQXGXLSN-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417404 769089683 /nfs/dbraw/zinc/08/96/83/769089683.db2.gz KEFKZRAQXGXLSN-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386213 769541991 /nfs/dbraw/zinc/54/19/91/769541991.db2.gz DVQXAWXAJWDROG-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386213 769541998 /nfs/dbraw/zinc/54/19/98/769541998.db2.gz DVQXAWXAJWDROG-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152386213 769542004 /nfs/dbraw/zinc/54/20/04/769542004.db2.gz DVQXAWXAJWDROG-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152386213 769542013 /nfs/dbraw/zinc/54/20/13/769542013.db2.gz DVQXAWXAJWDROG-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176071202 770007919 /nfs/dbraw/zinc/00/79/19/770007919.db2.gz CWZVHJNXRQLMEN-HNNXBMFYSA-N 2 1 324.469 0.459 20 30 DCEDMP N#Cc1c[nH]c2nc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)ncc12 ZINC001155375987 770483375 /nfs/dbraw/zinc/48/33/75/770483375.db2.gz KCYAINKNIRERQU-ZDUSSCGKSA-N 2 1 311.393 0.689 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156516802 770841749 /nfs/dbraw/zinc/84/17/49/770841749.db2.gz GLDUKWVJZGJQJN-OAHLLOKOSA-N 2 1 324.469 0.294 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001156516802 770841762 /nfs/dbraw/zinc/84/17/62/770841762.db2.gz GLDUKWVJZGJQJN-OAHLLOKOSA-N 2 1 324.469 0.294 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156516802 770841773 /nfs/dbraw/zinc/84/17/73/770841773.db2.gz GLDUKWVJZGJQJN-OAHLLOKOSA-N 2 1 324.469 0.294 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156516802 770841784 /nfs/dbraw/zinc/84/17/84/770841784.db2.gz GLDUKWVJZGJQJN-OAHLLOKOSA-N 2 1 324.469 0.294 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179935326 771036765 /nfs/dbraw/zinc/03/67/65/771036765.db2.gz BJLYHVYEKJSMJB-KKUMJFAQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249030 771627552 /nfs/dbraw/zinc/62/75/52/771627552.db2.gz APOQGQVONQRSPR-HUUCEWRRSA-N 2 1 305.426 0.580 20 30 DCEDMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001158626038 771795780 /nfs/dbraw/zinc/79/57/80/771795780.db2.gz CJBUCJZOHBLWKT-ZENOOKHLSA-N 2 1 300.406 0.979 20 30 DCEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001158626038 771795782 /nfs/dbraw/zinc/79/57/82/771795782.db2.gz CJBUCJZOHBLWKT-ZENOOKHLSA-N 2 1 300.406 0.979 20 30 DCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159877696 771971440 /nfs/dbraw/zinc/97/14/40/771971440.db2.gz SCPJMQNIIFZVSX-CYBMUJFWSA-N 2 1 313.833 0.662 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)CC ZINC001160197642 772007291 /nfs/dbraw/zinc/00/72/91/772007291.db2.gz BNMOAQICWDSLPY-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)CC ZINC001160197642 772007293 /nfs/dbraw/zinc/00/72/93/772007293.db2.gz BNMOAQICWDSLPY-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC[C@@H]1CCOC1 ZINC001160209290 772008781 /nfs/dbraw/zinc/00/87/81/772008781.db2.gz GSNOYLUEMNVCRN-SJORKVTESA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC[C@@H]1CCOC1 ZINC001160209290 772008786 /nfs/dbraw/zinc/00/87/86/772008786.db2.gz GSNOYLUEMNVCRN-SJORKVTESA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccn(CC)n1 ZINC001160209369 772008861 /nfs/dbraw/zinc/00/88/61/772008861.db2.gz JWDQLFMWRAGCJJ-INIZCTEOSA-N 2 1 317.437 0.597 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccn(CC)n1 ZINC001160209369 772008866 /nfs/dbraw/zinc/00/88/66/772008866.db2.gz JWDQLFMWRAGCJJ-INIZCTEOSA-N 2 1 317.437 0.597 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161051802 772159596 /nfs/dbraw/zinc/15/95/96/772159596.db2.gz BUXWAJLSOZMFMK-KGLIPLIRSA-N 2 1 310.442 0.257 20 30 DCEDMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C[C@@H]21 ZINC001161082845 772163573 /nfs/dbraw/zinc/16/35/73/772163573.db2.gz PLLGRJSHTHARSH-ULQDDVLXSA-N 2 1 312.417 0.981 20 30 DCEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190645627 772656692 /nfs/dbraw/zinc/65/66/92/772656692.db2.gz UMKQWQDABINGNR-HOTGVXAUSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190645627 772656693 /nfs/dbraw/zinc/65/66/93/772656693.db2.gz UMKQWQDABINGNR-HOTGVXAUSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190775732 772677136 /nfs/dbraw/zinc/67/71/36/772677136.db2.gz IUMJFXBWMCJUEE-ZBFHGGJFSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190775732 772677138 /nfs/dbraw/zinc/67/71/38/772677138.db2.gz IUMJFXBWMCJUEE-ZBFHGGJFSA-N 2 1 324.469 0.408 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596791 772686784 /nfs/dbraw/zinc/68/67/84/772686784.db2.gz RXDDUMCMEQDGTK-HZPDHXFCSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596789 772686955 /nfs/dbraw/zinc/68/69/55/772686955.db2.gz RXDDUMCMEQDGTK-CVEARBPZSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191431957 772767898 /nfs/dbraw/zinc/76/78/98/772767898.db2.gz XJJRJDYAUACXFH-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001191431957 772767902 /nfs/dbraw/zinc/76/79/02/772767902.db2.gz XJJRJDYAUACXFH-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191431957 772767907 /nfs/dbraw/zinc/76/79/07/772767907.db2.gz XJJRJDYAUACXFH-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152487 772875848 /nfs/dbraw/zinc/87/58/48/772875848.db2.gz HWLQXNVWHMKPCO-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203576993 772914460 /nfs/dbraw/zinc/91/44/60/772914460.db2.gz MJPCRXROJXLUQZ-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C[N@@H+]1CC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000163070742 772977362 /nfs/dbraw/zinc/97/73/62/772977362.db2.gz DRNONWFUQSDDLV-CQSZACIVSA-N 2 1 307.419 0.873 20 30 DCEDMP C[N@H+]1CC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000163070742 772977366 /nfs/dbraw/zinc/97/73/66/772977366.db2.gz DRNONWFUQSDDLV-CQSZACIVSA-N 2 1 307.419 0.873 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280999 773037809 /nfs/dbraw/zinc/03/78/09/773037809.db2.gz ZCGHLXVHMBOJHM-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280999 773037813 /nfs/dbraw/zinc/03/78/13/773037813.db2.gz ZCGHLXVHMBOJHM-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280999 773037817 /nfs/dbraw/zinc/03/78/17/773037817.db2.gz ZCGHLXVHMBOJHM-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193446958 773061156 /nfs/dbraw/zinc/06/11/56/773061156.db2.gz FKKOOFVSHGNHOT-BFHYXJOUSA-N 2 1 301.406 0.404 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)COC)C2)CC1 ZINC001194245560 773167503 /nfs/dbraw/zinc/16/75/03/773167503.db2.gz CMYWTUNCYAWUAF-DOTOQJQBSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194988493 773300846 /nfs/dbraw/zinc/30/08/46/773300846.db2.gz MAMMZBVJRPDGJV-HZPDHXFCSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194988493 773300855 /nfs/dbraw/zinc/30/08/55/773300855.db2.gz MAMMZBVJRPDGJV-HZPDHXFCSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194988493 773300863 /nfs/dbraw/zinc/30/08/63/773300863.db2.gz MAMMZBVJRPDGJV-HZPDHXFCSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194988493 773300871 /nfs/dbraw/zinc/30/08/71/773300871.db2.gz MAMMZBVJRPDGJV-HZPDHXFCSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221789 773351511 /nfs/dbraw/zinc/35/15/11/773351511.db2.gz HCFVFRQFHCNXST-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894153 773492603 /nfs/dbraw/zinc/49/26/03/773492603.db2.gz UIVUIRDXLGBEHY-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894153 773492606 /nfs/dbraw/zinc/49/26/06/773492606.db2.gz UIVUIRDXLGBEHY-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894153 773492608 /nfs/dbraw/zinc/49/26/08/773492608.db2.gz UIVUIRDXLGBEHY-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894153 773492612 /nfs/dbraw/zinc/49/26/12/773492612.db2.gz UIVUIRDXLGBEHY-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC[C@@H](C)O)CC1 ZINC001196191797 773546149 /nfs/dbraw/zinc/54/61/49/773546149.db2.gz MWRUXVRMNSIFQS-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCC[C@@H](C)O)CC1 ZINC001196191797 773546153 /nfs/dbraw/zinc/54/61/53/773546153.db2.gz MWRUXVRMNSIFQS-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC[C@@H](C)O)CC1 ZINC001196191797 773546158 /nfs/dbraw/zinc/54/61/58/773546158.db2.gz MWRUXVRMNSIFQS-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC[C@@H](C)O)CC1 ZINC001196191797 773546159 /nfs/dbraw/zinc/54/61/59/773546159.db2.gz MWRUXVRMNSIFQS-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934194 773904797 /nfs/dbraw/zinc/90/47/97/773904797.db2.gz MAUVHNQYDACUOV-ZACQAIPSSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889557 774022310 /nfs/dbraw/zinc/02/23/10/774022310.db2.gz MQSMGPHRSSJQSW-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CNC(=O)c1cc(C#N)cc(C)c1NC(=O)C[NH2+]CCC[NH3+] ZINC001219161961 774395569 /nfs/dbraw/zinc/39/55/69/774395569.db2.gz SBHOITLCVNCTMQ-UHFFFAOYSA-N 2 1 303.366 0.103 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200795444 774409825 /nfs/dbraw/zinc/40/98/25/774409825.db2.gz KLCRFJYEHBVPPP-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200795444 774409827 /nfs/dbraw/zinc/40/98/27/774409827.db2.gz KLCRFJYEHBVPPP-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CCCO1 ZINC001200850485 774416470 /nfs/dbraw/zinc/41/64/70/774416470.db2.gz HQZFVXCEUXSEDI-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200982534 774435123 /nfs/dbraw/zinc/43/51/23/774435123.db2.gz AFZWUCKQUSMYPB-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673550 774704692 /nfs/dbraw/zinc/70/46/92/774704692.db2.gz FWNWJHRWFJQJRS-ZACQAIPSSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673550 774704700 /nfs/dbraw/zinc/70/47/00/774704700.db2.gz FWNWJHRWFJQJRS-ZACQAIPSSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110673550 774704706 /nfs/dbraw/zinc/70/47/06/774704706.db2.gz FWNWJHRWFJQJRS-ZACQAIPSSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110673550 774704712 /nfs/dbraw/zinc/70/47/12/774704712.db2.gz FWNWJHRWFJQJRS-ZACQAIPSSA-N 2 1 319.449 0.842 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001202495614 774721139 /nfs/dbraw/zinc/72/11/39/774721139.db2.gz GVPQOZGUDLWEME-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202504562 774770555 /nfs/dbraw/zinc/77/05/55/774770555.db2.gz UPASTQZZHIFXMT-HOCLYGCPSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568702 774846898 /nfs/dbraw/zinc/84/68/98/774846898.db2.gz ZONVNKCVYYOIDU-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568702 774846901 /nfs/dbraw/zinc/84/69/01/774846901.db2.gz ZONVNKCVYYOIDU-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568702 774846913 /nfs/dbraw/zinc/84/69/13/774846913.db2.gz ZONVNKCVYYOIDU-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692411 775173020 /nfs/dbraw/zinc/17/30/20/775173020.db2.gz DTLPOXUBXXTPNY-HZPDHXFCSA-N 2 1 318.421 0.927 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692411 775173027 /nfs/dbraw/zinc/17/30/27/775173027.db2.gz DTLPOXUBXXTPNY-HZPDHXFCSA-N 2 1 318.421 0.927 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013441 775246015 /nfs/dbraw/zinc/24/60/15/775246015.db2.gz DULWFKDUOMXOPG-BZUAXINKSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013441 775246021 /nfs/dbraw/zinc/24/60/21/775246021.db2.gz DULWFKDUOMXOPG-BZUAXINKSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013441 775246025 /nfs/dbraw/zinc/24/60/25/775246025.db2.gz DULWFKDUOMXOPG-BZUAXINKSA-N 2 1 307.438 0.673 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129107 775539860 /nfs/dbraw/zinc/53/98/60/775539860.db2.gz DXEDYDSEWWREOK-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197073 775589261 /nfs/dbraw/zinc/58/92/61/775589261.db2.gz HHGGRTMJNGIJCN-OIISXLGYSA-N 2 1 319.449 0.842 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226608458 775845180 /nfs/dbraw/zinc/84/51/80/775845180.db2.gz IIJRAEUWSADTCM-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114746243 776094485 /nfs/dbraw/zinc/09/44/85/776094485.db2.gz OMRRUHFHRRMEET-NYTXWWLZSA-N 2 1 322.453 0.065 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001229185900 776168133 /nfs/dbraw/zinc/16/81/33/776168133.db2.gz QEHBYRBQKNWEIM-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215020 776265794 /nfs/dbraw/zinc/26/57/94/776265794.db2.gz CGNLJGZUZSOQJS-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215020 776265802 /nfs/dbraw/zinc/26/58/02/776265802.db2.gz CGNLJGZUZSOQJS-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288698 777180986 /nfs/dbraw/zinc/18/09/86/777180986.db2.gz ZPHUWAHGBJPLFM-FUHWJXTLSA-N 2 1 301.434 0.886 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001041598594 777377929 /nfs/dbraw/zinc/37/79/29/777377929.db2.gz MPWLKXLSIVWCSL-SJLPKXTDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001041598594 777377940 /nfs/dbraw/zinc/37/79/40/777377940.db2.gz MPWLKXLSIVWCSL-SJLPKXTDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041598594 777377955 /nfs/dbraw/zinc/37/79/55/777377955.db2.gz MPWLKXLSIVWCSL-SJLPKXTDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041598594 777377963 /nfs/dbraw/zinc/37/79/63/777377963.db2.gz MPWLKXLSIVWCSL-SJLPKXTDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837250 777533177 /nfs/dbraw/zinc/53/31/77/777533177.db2.gz CNTWEZQDSWWDLP-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837250 777533181 /nfs/dbraw/zinc/53/31/81/777533181.db2.gz CNTWEZQDSWWDLP-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837250 777533184 /nfs/dbraw/zinc/53/31/84/777533184.db2.gz CNTWEZQDSWWDLP-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837250 777533187 /nfs/dbraw/zinc/53/31/87/777533187.db2.gz CNTWEZQDSWWDLP-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CC(C)(C)C1 ZINC001278093727 945134345 /nfs/dbraw/zinc/13/43/45/945134345.db2.gz PZSMYNXOGLISTK-CVEARBPZSA-N 2 1 321.465 0.587 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CC(C)(C)C1 ZINC001278093727 945134352 /nfs/dbraw/zinc/13/43/52/945134352.db2.gz PZSMYNXOGLISTK-CVEARBPZSA-N 2 1 321.465 0.587 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854266 945209876 /nfs/dbraw/zinc/20/98/76/945209876.db2.gz OOKRXZFHNXCYKW-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001278307816 945215580 /nfs/dbraw/zinc/21/55/80/945215580.db2.gz HZGWEEBQSPUMLO-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266531146 939153750 /nfs/dbraw/zinc/15/37/50/939153750.db2.gz UNUGRFDFZIUSDJ-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267056825 939325733 /nfs/dbraw/zinc/32/57/33/939325733.db2.gz WIGBEVORYNUPST-ULQDDVLXSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)[C@@H](CC)C(N)=O)CC1 ZINC001267256949 939405283 /nfs/dbraw/zinc/40/52/83/939405283.db2.gz JHFSSTQXAMTVQG-HNNXBMFYSA-N 2 1 322.453 0.034 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267570656 939511025 /nfs/dbraw/zinc/51/10/25/939511025.db2.gz QYOUBOAPXYWFSN-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267601920 939544565 /nfs/dbraw/zinc/54/45/65/939544565.db2.gz TYXBUEYPJPHZEJ-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267601920 939544568 /nfs/dbraw/zinc/54/45/68/939544568.db2.gz TYXBUEYPJPHZEJ-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267601920 939544570 /nfs/dbraw/zinc/54/45/70/939544570.db2.gz TYXBUEYPJPHZEJ-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC#CCOC)C2)C1 ZINC001267690163 939626609 /nfs/dbraw/zinc/62/66/09/939626609.db2.gz XQCCVUXRVXIGCM-KRWDZBQOSA-N 2 1 321.465 0.806 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC#CCOC)C2)C1 ZINC001267690163 939626610 /nfs/dbraw/zinc/62/66/10/939626610.db2.gz XQCCVUXRVXIGCM-KRWDZBQOSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001481247687 939669745 /nfs/dbraw/zinc/66/97/45/939669745.db2.gz SZCFXBFMJWGAQI-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCOC)C1 ZINC001481489769 939900241 /nfs/dbraw/zinc/90/02/41/939900241.db2.gz YOVQYVIWAQKIHJ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCOC)C1 ZINC001481489769 939900242 /nfs/dbraw/zinc/90/02/42/939900242.db2.gz YOVQYVIWAQKIHJ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCOC)C1 ZINC001481489769 939900246 /nfs/dbraw/zinc/90/02/46/939900246.db2.gz YOVQYVIWAQKIHJ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCOC)C1 ZINC001481489769 939900248 /nfs/dbraw/zinc/90/02/48/939900248.db2.gz YOVQYVIWAQKIHJ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001268121070 939951544 /nfs/dbraw/zinc/95/15/44/939951544.db2.gz YMTNIYVAYGHQLJ-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001268121070 939951547 /nfs/dbraw/zinc/95/15/47/939951547.db2.gz YMTNIYVAYGHQLJ-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)N(C)CC ZINC001481821387 940150012 /nfs/dbraw/zinc/15/00/12/940150012.db2.gz YJSHVIZDGQHNAO-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)N(C)CC ZINC001481821387 940150016 /nfs/dbraw/zinc/15/00/16/940150016.db2.gz YJSHVIZDGQHNAO-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC#CCOC)CC1 ZINC001482026073 940210084 /nfs/dbraw/zinc/21/00/84/940210084.db2.gz FQEGBLYVCBQGCS-WKILWMFISA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)C[NH+](CC)CC ZINC001245998978 945310886 /nfs/dbraw/zinc/31/08/86/945310886.db2.gz IBEXETMKHPMRTM-GJZGRUSLSA-N 3 1 315.458 0.506 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268571 940667647 /nfs/dbraw/zinc/66/76/47/940667647.db2.gz NMVCYERRBSYFGU-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268571 940667649 /nfs/dbraw/zinc/66/76/49/940667649.db2.gz NMVCYERRBSYFGU-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001269339073 940687420 /nfs/dbraw/zinc/68/74/20/940687420.db2.gz JKBVMFUSYYBXAL-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001269339073 940687422 /nfs/dbraw/zinc/68/74/22/940687422.db2.gz JKBVMFUSYYBXAL-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001269339073 940687425 /nfs/dbraw/zinc/68/74/25/940687425.db2.gz JKBVMFUSYYBXAL-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001269339073 940687427 /nfs/dbraw/zinc/68/74/27/940687427.db2.gz JKBVMFUSYYBXAL-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001270925764 941225827 /nfs/dbraw/zinc/22/58/27/941225827.db2.gz LWPMFANDDZUPPT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001270925764 941225830 /nfs/dbraw/zinc/22/58/30/941225830.db2.gz LWPMFANDDZUPPT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001506966610 941883739 /nfs/dbraw/zinc/88/37/39/941883739.db2.gz AANRDPCNMMCOOI-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001506966610 941883744 /nfs/dbraw/zinc/88/37/44/941883744.db2.gz AANRDPCNMMCOOI-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001484191271 943180315 /nfs/dbraw/zinc/18/03/15/943180315.db2.gz NLRQQOODKNZUIC-UHFFFAOYSA-N 2 1 304.394 0.470 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001484849854 943596245 /nfs/dbraw/zinc/59/62/45/943596245.db2.gz ZTGZTWSULDZAQR-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001484927828 943625689 /nfs/dbraw/zinc/62/56/89/943625689.db2.gz WGTAKLHEAVMARB-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCO)C1 ZINC001491153490 943790729 /nfs/dbraw/zinc/79/07/29/943790729.db2.gz LLYMWUAAQSBJHM-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCO)C1 ZINC001491153490 943790731 /nfs/dbraw/zinc/79/07/31/943790731.db2.gz LLYMWUAAQSBJHM-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001485883425 944380363 /nfs/dbraw/zinc/38/03/63/944380363.db2.gz SQXRVEMNYNHHGE-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486133475 944587409 /nfs/dbraw/zinc/58/74/09/944587409.db2.gz COCKVOPZNQHBRL-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001316961487 944686181 /nfs/dbraw/zinc/68/61/81/944686181.db2.gz LPMYGTMMMXEYSV-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC1CC1 ZINC001486280985 944691217 /nfs/dbraw/zinc/69/12/17/944691217.db2.gz LENYRRRCHQMDNE-HOTGVXAUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC1CC1 ZINC001486280985 944691221 /nfs/dbraw/zinc/69/12/21/944691221.db2.gz LENYRRRCHQMDNE-HOTGVXAUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001317039957 944755100 /nfs/dbraw/zinc/75/51/00/944755100.db2.gz NXNJNIGICXFQQF-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317082009 944783200 /nfs/dbraw/zinc/78/32/00/944783200.db2.gz VOWIPUOTPDGPKZ-IHRRRGAJSA-N 2 1 308.426 0.010 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001317128428 944813825 /nfs/dbraw/zinc/81/38/25/944813825.db2.gz OOHQCVRYHSHFND-ZNMIVQPWSA-N 2 1 322.453 0.350 20 30 DCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001318897239 945461147 /nfs/dbraw/zinc/46/11/47/945461147.db2.gz UUHJWCJPGNMVCF-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001318897239 945461153 /nfs/dbraw/zinc/46/11/53/945461153.db2.gz UUHJWCJPGNMVCF-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001319592103 945626816 /nfs/dbraw/zinc/62/68/16/945626816.db2.gz GYBPHAIXOOIXSN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC001320235642 945781059 /nfs/dbraw/zinc/78/10/59/945781059.db2.gz PQROLQFBNUMARP-IRXDYDNUSA-N 2 1 315.417 0.351 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC001320235642 945781061 /nfs/dbraw/zinc/78/10/61/945781061.db2.gz PQROLQFBNUMARP-IRXDYDNUSA-N 2 1 315.417 0.351 20 30 DCEDMP C=C[C@](C)(O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252551731 945960938 /nfs/dbraw/zinc/96/09/38/945960938.db2.gz DDBKYBNKHOMLQT-INIZCTEOSA-N 2 1 322.409 0.261 20 30 DCEDMP C=C[C@](C)(O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252551731 945960940 /nfs/dbraw/zinc/96/09/40/945960940.db2.gz DDBKYBNKHOMLQT-INIZCTEOSA-N 2 1 322.409 0.261 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(OCC)C1 ZINC001321875011 946496820 /nfs/dbraw/zinc/49/68/20/946496820.db2.gz ABUMXALQDZQKGW-OTBWCIGPSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(OCC)C1 ZINC001321875011 946496825 /nfs/dbraw/zinc/49/68/25/946496825.db2.gz ABUMXALQDZQKGW-OTBWCIGPSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001325099088 947653160 /nfs/dbraw/zinc/65/31/60/947653160.db2.gz VHFTWQSKESDCMF-RDJZCZTQSA-N 2 1 307.438 0.457 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001263099667 947807723 /nfs/dbraw/zinc/80/77/23/947807723.db2.gz QUJLMEHDNZHFEK-CABCVRRESA-N 2 1 324.469 0.729 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001273465713 947905531 /nfs/dbraw/zinc/90/55/31/947905531.db2.gz LTVHZAWIEFBKJV-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001273465713 947905538 /nfs/dbraw/zinc/90/55/38/947905538.db2.gz LTVHZAWIEFBKJV-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001273465713 947905546 /nfs/dbraw/zinc/90/55/46/947905546.db2.gz LTVHZAWIEFBKJV-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001325820123 947937815 /nfs/dbraw/zinc/93/78/15/947937815.db2.gz ZZKLMATVSBKDKM-UHFFFAOYSA-N 2 1 319.453 0.938 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001326053844 948034379 /nfs/dbraw/zinc/03/43/79/948034379.db2.gz ZSAGILJDDQHILY-INIZCTEOSA-N 2 1 309.454 0.541 20 30 DCEDMP C=CCN1CC[C@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001273728296 948051238 /nfs/dbraw/zinc/05/12/38/948051238.db2.gz LAPCVTAWCAELPT-GOSISDBHSA-N 2 1 320.481 0.877 20 30 DCEDMP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001327607556 948570991 /nfs/dbraw/zinc/57/09/91/948570991.db2.gz ORWYTSSJLSPAQD-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001328208318 948746946 /nfs/dbraw/zinc/74/69/46/948746946.db2.gz YLCFPOBYMKKZAC-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264077988 948863410 /nfs/dbraw/zinc/86/34/10/948863410.db2.gz AKHDGAPPDIUZFU-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001264376978 948946263 /nfs/dbraw/zinc/94/62/63/948946263.db2.gz SBMWVUKJCLQBBQ-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001264376978 948946272 /nfs/dbraw/zinc/94/62/72/948946272.db2.gz SBMWVUKJCLQBBQ-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001264583898 949018690 /nfs/dbraw/zinc/01/86/90/949018690.db2.gz FSFQSLQLGYTNFH-UHFFFAOYSA-N 2 1 307.398 0.414 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488683233 949063264 /nfs/dbraw/zinc/06/32/64/949063264.db2.gz BBOLOJHJVZBMSZ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488683233 949063278 /nfs/dbraw/zinc/06/32/78/949063278.db2.gz BBOLOJHJVZBMSZ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001488683233 949063294 /nfs/dbraw/zinc/06/32/94/949063294.db2.gz BBOLOJHJVZBMSZ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001488683233 949063315 /nfs/dbraw/zinc/06/33/15/949063315.db2.gz BBOLOJHJVZBMSZ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001265104486 949309667 /nfs/dbraw/zinc/30/96/67/949309667.db2.gz UOSNDIYLABHOOZ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001265104486 949309691 /nfs/dbraw/zinc/30/96/91/949309691.db2.gz UOSNDIYLABHOOZ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001265104486 949309710 /nfs/dbraw/zinc/30/97/10/949309710.db2.gz UOSNDIYLABHOOZ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001489160576 949568636 /nfs/dbraw/zinc/56/86/36/949568636.db2.gz JZJSSFYOZYLWCG-BRWVUGGUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001489160576 949568655 /nfs/dbraw/zinc/56/86/55/949568655.db2.gz JZJSSFYOZYLWCG-BRWVUGGUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001489160576 949568671 /nfs/dbraw/zinc/56/86/71/949568671.db2.gz JZJSSFYOZYLWCG-BRWVUGGUSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2cncc2C)[C@H]1C ZINC001489278345 949697520 /nfs/dbraw/zinc/69/75/20/949697520.db2.gz LZDDLDJQQYYOPR-CABCVRRESA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001489278345 949697528 /nfs/dbraw/zinc/69/75/28/949697528.db2.gz LZDDLDJQQYYOPR-CABCVRRESA-N 2 1 306.410 0.973 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001279508869 950607541 /nfs/dbraw/zinc/60/75/41/950607541.db2.gz HALIHUUEXRZDOG-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001279508869 950607554 /nfs/dbraw/zinc/60/75/54/950607554.db2.gz HALIHUUEXRZDOG-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001279508869 950607569 /nfs/dbraw/zinc/60/75/69/950607569.db2.gz HALIHUUEXRZDOG-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001490493406 950749021 /nfs/dbraw/zinc/74/90/21/950749021.db2.gz ZRQOERWELGSNNS-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001490493406 950749029 /nfs/dbraw/zinc/74/90/29/950749029.db2.gz ZRQOERWELGSNNS-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001330956276 950789063 /nfs/dbraw/zinc/78/90/63/950789063.db2.gz YIOGHSGUPNHGBI-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001331297450 951062497 /nfs/dbraw/zinc/06/24/97/951062497.db2.gz RREGGWKJEBIRLK-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001331786310 951320146 /nfs/dbraw/zinc/32/01/46/951320146.db2.gz BNUWKGPYIAYHPS-XJKSGUPXSA-N 2 1 313.417 0.289 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001332390206 951626141 /nfs/dbraw/zinc/62/61/41/951626141.db2.gz DRZGHNCEDBXSFY-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@]12CCN(Cc1cncn1C)C2=O ZINC001274617280 951745302 /nfs/dbraw/zinc/74/53/02/951745302.db2.gz WTVOQKLPRAZDPP-SJORKVTESA-N 2 1 318.421 0.924 20 30 DCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274619862 951748052 /nfs/dbraw/zinc/74/80/52/951748052.db2.gz FEMQLDWQPXPCQE-WBVHZDCISA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001332663372 951751207 /nfs/dbraw/zinc/75/12/07/951751207.db2.gz MYEKEBWTMDYUCZ-ZBFHGGJFSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001332663372 951751213 /nfs/dbraw/zinc/75/12/13/951751213.db2.gz MYEKEBWTMDYUCZ-ZBFHGGJFSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001274657075 951771268 /nfs/dbraw/zinc/77/12/68/951771268.db2.gz XQNIRAJLWCVMLO-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274657516 951772950 /nfs/dbraw/zinc/77/29/50/951772950.db2.gz ZLXXPJZCGHEWCP-NVXWUHKLSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274657518 951773032 /nfs/dbraw/zinc/77/30/32/951773032.db2.gz ZLXXPJZCGHEWCP-WBVHZDCISA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)CC ZINC001274732234 951811118 /nfs/dbraw/zinc/81/11/18/951811118.db2.gz ZSTJIEPHBPWCDY-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)CC ZINC001274732234 951811121 /nfs/dbraw/zinc/81/11/21/951811121.db2.gz ZSTJIEPHBPWCDY-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC#CCOC ZINC001275160812 951978105 /nfs/dbraw/zinc/97/81/05/951978105.db2.gz ROQSCCANHLVNHU-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC#CCOC ZINC001275160812 951978111 /nfs/dbraw/zinc/97/81/11/951978111.db2.gz ROQSCCANHLVNHU-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC#CCOC ZINC001275160812 951978116 /nfs/dbraw/zinc/97/81/16/951978116.db2.gz ROQSCCANHLVNHU-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001275559266 952263635 /nfs/dbraw/zinc/26/36/35/952263635.db2.gz IVWYNQRVFXDFRQ-IUODEOHRSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CCN(C)C[C@@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001275559266 952263638 /nfs/dbraw/zinc/26/36/38/952263638.db2.gz IVWYNQRVFXDFRQ-IUODEOHRSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001490840339 953095388 /nfs/dbraw/zinc/09/53/88/953095388.db2.gz SDJXJXCVUTVOKY-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001339877976 953126674 /nfs/dbraw/zinc/12/66/74/953126674.db2.gz WWJIQWVFIMWGAE-UHFFFAOYSA-N 2 1 300.406 0.990 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001281893401 953407410 /nfs/dbraw/zinc/40/74/10/953407410.db2.gz RVYRZZGWFJMRDB-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001282573663 953626847 /nfs/dbraw/zinc/62/68/47/953626847.db2.gz QXEHSQBIWTXJTA-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001282573663 953626854 /nfs/dbraw/zinc/62/68/54/953626854.db2.gz QXEHSQBIWTXJTA-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001284417792 955075684 /nfs/dbraw/zinc/07/56/84/955075684.db2.gz WYOGDHIYTFMDRG-IRXDYDNUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2nocc2C)CC1 ZINC001491681114 959044082 /nfs/dbraw/zinc/04/40/82/959044082.db2.gz CGCFHMBFGKUSFX-AWEZNQCLSA-N 2 1 318.421 0.923 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001379281661 962535261 /nfs/dbraw/zinc/53/52/61/962535261.db2.gz FEDFWGGWYPMJEV-RYUDHWBXSA-N 2 1 322.434 0.138 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001376077242 965166115 /nfs/dbraw/zinc/16/61/15/965166115.db2.gz IWAWMTCITIGCGX-HNNXBMFYSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001376077242 965166121 /nfs/dbraw/zinc/16/61/21/965166121.db2.gz IWAWMTCITIGCGX-HNNXBMFYSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001382138559 966973870 /nfs/dbraw/zinc/97/38/70/966973870.db2.gz DTEVTEBDWDSAEJ-ZDUSSCGKSA-N 2 1 303.834 0.898 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001448945716 1014104419 /nfs/dbraw/zinc/10/44/19/1014104419.db2.gz KUFROFVWYHCRPY-KGLIPLIRSA-N 2 1 317.861 0.926 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507029734 1015902301 /nfs/dbraw/zinc/90/23/01/1015902301.db2.gz YYJPVDAHPQOAJF-WBVHZDCISA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001507742653 1016560824 /nfs/dbraw/zinc/56/08/24/1016560824.db2.gz QIHLEJCCJIDKPY-KRWDZBQOSA-N 2 1 317.433 0.503 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001507742653 1016560838 /nfs/dbraw/zinc/56/08/38/1016560838.db2.gz QIHLEJCCJIDKPY-KRWDZBQOSA-N 2 1 317.433 0.503 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001507742653 1016560853 /nfs/dbraw/zinc/56/08/53/1016560853.db2.gz QIHLEJCCJIDKPY-KRWDZBQOSA-N 2 1 317.433 0.503 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001507742653 1016560867 /nfs/dbraw/zinc/56/08/67/1016560867.db2.gz QIHLEJCCJIDKPY-KRWDZBQOSA-N 2 1 317.433 0.503 20 30 DCEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001505839136 1016601330 /nfs/dbraw/zinc/60/13/30/1016601330.db2.gz NNSTXBKRJWTPDG-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001425798786 1003125671 /nfs/dbraw/zinc/12/56/71/1003125671.db2.gz GZUNHHMPFPPWMF-LBPRGKRZSA-N 2 1 305.850 0.784 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001425798786 1003125677 /nfs/dbraw/zinc/12/56/77/1003125677.db2.gz GZUNHHMPFPPWMF-LBPRGKRZSA-N 2 1 305.850 0.784 20 30 DCEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001421326140 1003546692 /nfs/dbraw/zinc/54/66/92/1003546692.db2.gz GFPNLRLRFCWOSZ-ZDUSSCGKSA-N 2 1 315.845 0.946 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(CC)CCO1 ZINC001474190940 1017008704 /nfs/dbraw/zinc/00/87/04/1017008704.db2.gz PJOAPQDODJIDMB-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001474190940 1017008715 /nfs/dbraw/zinc/00/87/15/1017008715.db2.gz PJOAPQDODJIDMB-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001474190940 1017008731 /nfs/dbraw/zinc/00/87/31/1017008731.db2.gz PJOAPQDODJIDMB-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001474190940 1017008762 /nfs/dbraw/zinc/00/87/62/1017008762.db2.gz PJOAPQDODJIDMB-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001422261190 1009725960 /nfs/dbraw/zinc/72/59/60/1009725960.db2.gz ANCBUZMRNCZYTM-HOTGVXAUSA-N 2 1 316.405 0.219 20 30 DCEDMP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001424422905 1012492965 /nfs/dbraw/zinc/49/29/65/1012492965.db2.gz UFPFRPIZKJNOOJ-HIFRSBDPSA-N 2 1 315.845 0.634 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001479287307 1017476196 /nfs/dbraw/zinc/47/61/96/1017476196.db2.gz XBXQJMOJKBQQTH-ZNMIVQPWSA-N 2 1 311.426 0.004 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001479287307 1017476205 /nfs/dbraw/zinc/47/62/05/1017476205.db2.gz XBXQJMOJKBQQTH-ZNMIVQPWSA-N 2 1 311.426 0.004 20 30 DCEDMP C#CCC[N@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001506966860 1017711206 /nfs/dbraw/zinc/71/12/06/1017711206.db2.gz GSZIELYAWRBCJF-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001479938504 1018005928 /nfs/dbraw/zinc/00/59/28/1018005928.db2.gz CKBZGNGGJSCYES-QGZVFWFLSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001479938504 1018005937 /nfs/dbraw/zinc/00/59/37/1018005937.db2.gz CKBZGNGGJSCYES-QGZVFWFLSA-N 2 1 320.481 0.616 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001479941915 1018014845 /nfs/dbraw/zinc/01/48/45/1018014845.db2.gz APKUYAGAAPNXNS-UHFFFAOYSA-N 2 1 320.481 0.620 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCOCC1 ZINC001500589892 1018504110 /nfs/dbraw/zinc/50/41/10/1018504110.db2.gz SZUFPDSEXFHTEY-UHFFFAOYSA-N 2 1 318.421 0.895 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnn1C ZINC001498054595 1018617323 /nfs/dbraw/zinc/61/73/23/1018617323.db2.gz AASGLOOAXJLZOS-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnn1C ZINC001498054595 1018617328 /nfs/dbraw/zinc/61/73/28/1018617328.db2.gz AASGLOOAXJLZOS-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnns1 ZINC001480770827 1018893030 /nfs/dbraw/zinc/89/30/30/1018893030.db2.gz KJFONGLNVWBLRX-JSGCOSHPSA-N 2 1 321.450 0.620 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnns1 ZINC001480770827 1018893040 /nfs/dbraw/zinc/89/30/40/1018893040.db2.gz KJFONGLNVWBLRX-JSGCOSHPSA-N 2 1 321.450 0.620 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498394756 1019053617 /nfs/dbraw/zinc/05/36/17/1019053617.db2.gz LUYZDYFFRZZPIS-CYBMUJFWSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498394756 1019053626 /nfs/dbraw/zinc/05/36/26/1019053626.db2.gz LUYZDYFFRZZPIS-CYBMUJFWSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCOC)CC1 ZINC001498455857 1019135378 /nfs/dbraw/zinc/13/53/78/1019135378.db2.gz KWNXHDJLMJJODO-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001498559216 1019227433 /nfs/dbraw/zinc/22/74/33/1019227433.db2.gz AXBDKPDSPCMICQ-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001501487296 1019232688 /nfs/dbraw/zinc/23/26/88/1019232688.db2.gz DKLBUVFKWDXEFS-CQSZACIVSA-N 2 1 306.410 0.350 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001663336311 1174288504 /nfs/dbraw/zinc/28/85/04/1174288504.db2.gz ZFOSRAXEPNJJDR-UHFFFAOYSA-N 2 1 309.454 0.950 20 30 DCEDMP [NH2+]=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC1CC1 ZINC000264065549 238188115 /nfs/dbraw/zinc/18/81/15/238188115.db2.gz AYRRVSNYQCCZKK-UHFFFAOYSA-N 2 1 302.426 0.660 20 30 DCEDMP CC1CCN(C(=[NH2+])NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000303376434 396725055 /nfs/dbraw/zinc/72/50/55/396725055.db2.gz OIWNFRRGUHFTQY-HNNXBMFYSA-N 2 1 323.485 0.976 20 30 DCEDMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CCC[NH+]2C)CC1 ZINC000330870556 396865709 /nfs/dbraw/zinc/86/57/09/396865709.db2.gz QQCWFISPWGXWMU-OAHLLOKOSA-N 2 1 312.458 0.773 20 30 DCEDMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000330870556 396865711 /nfs/dbraw/zinc/86/57/11/396865711.db2.gz QQCWFISPWGXWMU-OAHLLOKOSA-N 2 1 312.458 0.773 20 30 DCEDMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000330870556 396865714 /nfs/dbraw/zinc/86/57/14/396865714.db2.gz QQCWFISPWGXWMU-OAHLLOKOSA-N 2 1 312.458 0.773 20 30 DCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491202242 397500920 /nfs/dbraw/zinc/50/09/20/397500920.db2.gz NAAFPIGMGQLLFH-HZPDHXFCSA-N 2 1 306.454 0.084 20 30 DCEDMP N#CCc1ccc(OC[C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000603833262 397623127 /nfs/dbraw/zinc/62/31/27/397623127.db2.gz DGCZHKLKZLDQCQ-BZUAXINKSA-N 2 1 301.390 0.644 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)Cc1ccccc1 ZINC000286902383 415641591 /nfs/dbraw/zinc/64/15/91/415641591.db2.gz PFAFZPBCNIDGDW-INIZCTEOSA-N 2 1 320.437 0.217 20 30 DCEDMP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661620457 418351461 /nfs/dbraw/zinc/35/14/61/418351461.db2.gz AJHCKUHZNSQKIQ-HKCPWHJYSA-N 2 1 308.466 0.887 20 30 DCEDMP Cc1n[nH]cc1CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264121315 533685303 /nfs/dbraw/zinc/68/53/03/533685303.db2.gz RECFNQJTYHIMQG-UHFFFAOYSA-N 2 1 308.430 0.277 20 30 DCEDMP C[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330215203 336125276 /nfs/dbraw/zinc/12/52/76/336125276.db2.gz GWEUUQXYKYYHGB-HZPDHXFCSA-N 2 1 324.469 0.916 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001567711587 1160461028 /nfs/dbraw/zinc/46/10/28/1160461028.db2.gz CKGBBLOGRCDBFU-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001567711587 1160461030 /nfs/dbraw/zinc/46/10/30/1160461030.db2.gz CKGBBLOGRCDBFU-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001567711587 1160461031 /nfs/dbraw/zinc/46/10/31/1160461031.db2.gz CKGBBLOGRCDBFU-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001570153017 1161451190 /nfs/dbraw/zinc/45/11/90/1161451190.db2.gz CFZUPPHRIDEGEU-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001570199042 1161489386 /nfs/dbraw/zinc/48/93/86/1161489386.db2.gz VORLVZKUIPULJQ-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C[NH+]=C(NCc1c[nH]nc1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261838044 526380427 /nfs/dbraw/zinc/38/04/27/526380427.db2.gz VZLFETKBOCXOSW-AWEZNQCLSA-N 2 1 320.441 0.448 20 30 DCEDMP C[NH+]=C(NCc1cnn(C)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179079821 526389201 /nfs/dbraw/zinc/38/92/01/526389201.db2.gz GWYURIUTFJDDHY-AWEZNQCLSA-N 2 1 320.441 0.150 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000186017083 526427277 /nfs/dbraw/zinc/42/72/77/526427277.db2.gz ZNUOVCHHGLDBDY-HUUCEWRRSA-N 2 1 324.469 0.733 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264055104 529100438 /nfs/dbraw/zinc/10/04/38/529100438.db2.gz ALGYFMOZIYZBAK-AWEZNQCLSA-N 2 1 303.410 0.674 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643941 660579433 /nfs/dbraw/zinc/57/94/33/660579433.db2.gz YUFMRYFMFBICCM-NXOAAHMSSA-N 2 1 321.465 0.966 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643941 660579434 /nfs/dbraw/zinc/57/94/34/660579434.db2.gz YUFMRYFMFBICCM-NXOAAHMSSA-N 2 1 321.465 0.966 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643941 660579435 /nfs/dbraw/zinc/57/94/35/660579435.db2.gz YUFMRYFMFBICCM-NXOAAHMSSA-N 2 1 321.465 0.966 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980220441 660893502 /nfs/dbraw/zinc/89/35/02/660893502.db2.gz ZRWVBZJGGXGKLD-XHSDSOJGSA-N 2 1 301.434 0.932 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC000980454778 660945642 /nfs/dbraw/zinc/94/56/42/660945642.db2.gz YZURQBBRNUHCEV-CVEARBPZSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H]2CCOC2)CC1 ZINC000981365695 661140330 /nfs/dbraw/zinc/14/03/30/661140330.db2.gz VYUKBXCFSQSRRA-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H]2CCOC2)CC1 ZINC000981365695 661140331 /nfs/dbraw/zinc/14/03/31/661140331.db2.gz VYUKBXCFSQSRRA-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000981365695 661140332 /nfs/dbraw/zinc/14/03/32/661140332.db2.gz VYUKBXCFSQSRRA-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000981365695 661140333 /nfs/dbraw/zinc/14/03/33/661140333.db2.gz VYUKBXCFSQSRRA-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028093518 661152957 /nfs/dbraw/zinc/15/29/57/661152957.db2.gz MRKGKZFVFUGWGC-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093518 661152958 /nfs/dbraw/zinc/15/29/58/661152958.db2.gz MRKGKZFVFUGWGC-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001028093518 661152959 /nfs/dbraw/zinc/15/29/59/661152959.db2.gz MRKGKZFVFUGWGC-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841987 661232320 /nfs/dbraw/zinc/23/23/20/661232320.db2.gz PYTRCEHNQFCYTR-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841987 661232322 /nfs/dbraw/zinc/23/23/22/661232322.db2.gz PYTRCEHNQFCYTR-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841987 661232324 /nfs/dbraw/zinc/23/23/24/661232324.db2.gz PYTRCEHNQFCYTR-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841987 661232325 /nfs/dbraw/zinc/23/23/25/661232325.db2.gz PYTRCEHNQFCYTR-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001023448912 657876650 /nfs/dbraw/zinc/87/66/50/657876650.db2.gz BEIZIOPLGNONCS-LSDHHAIUSA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891920834 657918526 /nfs/dbraw/zinc/91/85/26/657918526.db2.gz DTEJJFULIDTMDB-NEPJUHHUSA-N 2 1 320.359 0.720 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891921014 657919840 /nfs/dbraw/zinc/91/98/40/657919840.db2.gz HQQIFAOZHLQPQE-QGZVFWFLSA-N 2 1 314.433 0.955 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972641857 658144539 /nfs/dbraw/zinc/14/45/39/658144539.db2.gz ZLGOCZSPDAMQRC-SFHVURJKSA-N 2 1 317.433 0.409 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972641857 658144543 /nfs/dbraw/zinc/14/45/43/658144543.db2.gz ZLGOCZSPDAMQRC-SFHVURJKSA-N 2 1 317.433 0.409 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972410621 658733731 /nfs/dbraw/zinc/73/37/31/658733731.db2.gz TWIHOMWQXWFCQL-QGZVFWFLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972410621 658733735 /nfs/dbraw/zinc/73/37/35/658733735.db2.gz TWIHOMWQXWFCQL-QGZVFWFLSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001026378172 659259881 /nfs/dbraw/zinc/25/98/81/659259881.db2.gz UMERZQJUFXWDPO-ARFHVFGLSA-N 2 1 307.438 0.721 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001009629014 659439482 /nfs/dbraw/zinc/43/94/82/659439482.db2.gz QZGCKQXDKIEXRE-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999759061 665683630 /nfs/dbraw/zinc/68/36/30/665683630.db2.gz AFXWHUFGNZMQAX-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799089 659565011 /nfs/dbraw/zinc/56/50/11/659565011.db2.gz UYDPBWZGEIHWJA-UUAJXVIYSA-N 2 1 319.449 0.862 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025799089 659565017 /nfs/dbraw/zinc/56/50/17/659565017.db2.gz UYDPBWZGEIHWJA-UUAJXVIYSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300019 659636220 /nfs/dbraw/zinc/63/62/20/659636220.db2.gz DGIBKXMSAHJIBU-OAHLLOKOSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300019 659636224 /nfs/dbraw/zinc/63/62/24/659636224.db2.gz DGIBKXMSAHJIBU-OAHLLOKOSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](C)OC)CC1 ZINC001028333567 661461692 /nfs/dbraw/zinc/46/16/92/661461692.db2.gz OMXBCXIVLVUDJJ-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000203482 665776799 /nfs/dbraw/zinc/77/67/99/665776799.db2.gz WXVSZOXZGKMHDA-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000895056056 662054194 /nfs/dbraw/zinc/05/41/94/662054194.db2.gz AXJABSZNSYNDTF-JKSUJKDBSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895056056 662054197 /nfs/dbraw/zinc/05/41/97/662054197.db2.gz AXJABSZNSYNDTF-JKSUJKDBSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000895056056 662054199 /nfs/dbraw/zinc/05/41/99/662054199.db2.gz AXJABSZNSYNDTF-JKSUJKDBSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000732307796 664913004 /nfs/dbraw/zinc/91/30/04/664913004.db2.gz MYVBKAATUWOZLO-CVEARBPZSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000732307796 664913005 /nfs/dbraw/zinc/91/30/05/664913005.db2.gz MYVBKAATUWOZLO-CVEARBPZSA-N 2 1 306.454 0.226 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567270 666020421 /nfs/dbraw/zinc/02/04/21/666020421.db2.gz PWTPFMYBQRNEIW-DOTOQJQBSA-N 2 1 320.481 0.589 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941566673 666023898 /nfs/dbraw/zinc/02/38/98/666023898.db2.gz JAKMHPFEEHYCJW-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941566673 666023901 /nfs/dbraw/zinc/02/39/01/666023901.db2.gz JAKMHPFEEHYCJW-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCN1CCC(NC(=O)[C@@H]2COCCN2CC2CCC2)CC1 ZINC001003378993 666303148 /nfs/dbraw/zinc/30/31/48/666303148.db2.gz YGXWQECEIMFFNK-KRWDZBQOSA-N 2 1 319.449 0.701 20 30 DCEDMP CC[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083096868 666610809 /nfs/dbraw/zinc/61/08/09/666610809.db2.gz RDDICWNJJKFZPK-LBPRGKRZSA-N 2 1 317.441 0.516 20 30 DCEDMP CC[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083096868 666610810 /nfs/dbraw/zinc/61/08/10/666610810.db2.gz RDDICWNJJKFZPK-LBPRGKRZSA-N 2 1 317.441 0.516 20 30 DCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995892224 666716995 /nfs/dbraw/zinc/71/69/95/666716995.db2.gz FFWSYBXGFWCVSS-GJZGRUSLSA-N 2 1 319.453 0.826 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@H](C)COC)C2)CC1 ZINC001033684370 666795403 /nfs/dbraw/zinc/79/54/03/666795403.db2.gz NVSYLMRHZVLNJV-WBVHZDCISA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034535990 667062558 /nfs/dbraw/zinc/06/25/58/667062558.db2.gz WXBQMMQNJYGRIN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535990 667062560 /nfs/dbraw/zinc/06/25/60/667062560.db2.gz WXBQMMQNJYGRIN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535990 667062564 /nfs/dbraw/zinc/06/25/64/667062564.db2.gz WXBQMMQNJYGRIN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535990 667062566 /nfs/dbraw/zinc/06/25/66/667062566.db2.gz WXBQMMQNJYGRIN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CN1CCOCC1 ZINC001032475600 667298845 /nfs/dbraw/zinc/29/88/45/667298845.db2.gz YPRUWAWKYADUIU-GJZGRUSLSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001035613164 667392881 /nfs/dbraw/zinc/39/28/81/667392881.db2.gz DZJUKBLKGNMQAW-MRXNPFEDSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000884161328 667486676 /nfs/dbraw/zinc/48/66/76/667486676.db2.gz COYRCSBSGHXBIG-CVEARBPZSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000884161328 667486677 /nfs/dbraw/zinc/48/66/77/667486677.db2.gz COYRCSBSGHXBIG-CVEARBPZSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000884161328 667486679 /nfs/dbraw/zinc/48/66/79/667486679.db2.gz COYRCSBSGHXBIG-CVEARBPZSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000884161328 667486681 /nfs/dbraw/zinc/48/66/81/667486681.db2.gz COYRCSBSGHXBIG-CVEARBPZSA-N 2 1 304.438 0.868 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000923329520 667506046 /nfs/dbraw/zinc/50/60/46/667506046.db2.gz VHUJODLMEIJSDX-OWCLPIDISA-N 2 1 309.454 0.894 20 30 DCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884233177 667506532 /nfs/dbraw/zinc/50/65/32/667506532.db2.gz LAGCBWREKXOMKD-ZWNOOHQTSA-N 2 1 302.422 0.725 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000923554855 667560722 /nfs/dbraw/zinc/56/07/22/667560722.db2.gz LXCCWZNJPZGKOF-KRWDZBQOSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000923554855 667560725 /nfs/dbraw/zinc/56/07/25/667560725.db2.gz LXCCWZNJPZGKOF-KRWDZBQOSA-N 2 1 320.481 0.616 20 30 DCEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000104168299 667963829 /nfs/dbraw/zinc/96/38/29/667963829.db2.gz LAAVBVAXLPVZSP-OAHLLOKOSA-N 2 1 311.474 0.216 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000890371657 668124078 /nfs/dbraw/zinc/12/40/78/668124078.db2.gz AESOUSBOQWDDGV-HOTGVXAUSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000890371657 668124081 /nfs/dbraw/zinc/12/40/81/668124081.db2.gz AESOUSBOQWDDGV-HOTGVXAUSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000890378131 668125208 /nfs/dbraw/zinc/12/52/08/668125208.db2.gz VNQWEEBGGROQCS-INIZCTEOSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000890378131 668125211 /nfs/dbraw/zinc/12/52/11/668125211.db2.gz VNQWEEBGGROQCS-INIZCTEOSA-N 2 1 304.438 0.821 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000876737029 668499209 /nfs/dbraw/zinc/49/92/09/668499209.db2.gz OHEBRSSLDJQWCE-CQSZACIVSA-N 2 1 316.877 0.846 20 30 DCEDMP C=C(C)C[C@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000883400639 669678694 /nfs/dbraw/zinc/67/86/94/669678694.db2.gz RMMBMDFBUXFPNQ-OAHLLOKOSA-N 2 1 305.426 0.645 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](CC)OC)CC1 ZINC000948825953 670187989 /nfs/dbraw/zinc/18/79/89/670187989.db2.gz ZVGJQQOPUGZOLC-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CCN1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000949317588 670311447 /nfs/dbraw/zinc/31/14/47/670311447.db2.gz SYAUDWCREZERHQ-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949317588 670311450 /nfs/dbraw/zinc/31/14/50/670311450.db2.gz SYAUDWCREZERHQ-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949317588 670311458 /nfs/dbraw/zinc/31/14/58/670311458.db2.gz SYAUDWCREZERHQ-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000949317588 670311460 /nfs/dbraw/zinc/31/14/60/670311460.db2.gz SYAUDWCREZERHQ-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCN1CCOC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000949386134 670329441 /nfs/dbraw/zinc/32/94/41/670329441.db2.gz UORKWJFZPGNCHZ-UHFFFAOYSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCCn1cc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)nn1 ZINC000848511235 670693592 /nfs/dbraw/zinc/69/35/92/670693592.db2.gz LNGOYHZJHDJJOJ-AWEZNQCLSA-N 2 1 322.413 0.962 20 30 DCEDMP C=CCCn1cc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)nn1 ZINC000848511235 670693595 /nfs/dbraw/zinc/69/35/95/670693595.db2.gz LNGOYHZJHDJJOJ-AWEZNQCLSA-N 2 1 322.413 0.962 20 30 DCEDMP C=C(C)[C@H]1OCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849025510 670751272 /nfs/dbraw/zinc/75/12/72/670751272.db2.gz KADUSHQPYIRNFB-LSDHHAIUSA-N 2 1 310.442 0.804 20 30 DCEDMP Cn1cc[nH+]c1N1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852890075 671187177 /nfs/dbraw/zinc/18/71/77/671187177.db2.gz LUMGIRJXACEDDV-UHFFFAOYSA-N 2 1 315.421 0.508 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCO)CC1 ZINC001024811991 693836385 /nfs/dbraw/zinc/83/63/85/693836385.db2.gz IMVSVBCGDSUIED-QGZVFWFLSA-N 2 1 321.465 0.685 20 30 DCEDMP CCOc1ncccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303896776 685208021 /nfs/dbraw/zinc/20/80/21/685208021.db2.gz QEXLOUHYGCJYOW-UHFFFAOYSA-N 2 1 321.425 0.607 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1Cc2ccccc21 ZINC000303895551 685208067 /nfs/dbraw/zinc/20/80/67/685208067.db2.gz TYWYTCHYAWXGIH-HNNXBMFYSA-N 2 1 302.422 0.953 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1CNC(NCCN1CCOCC1)=[NH+]C ZINC000304669177 685210585 /nfs/dbraw/zinc/21/05/85/685210585.db2.gz BRZCDQOVDYLFPO-HNNXBMFYSA-N 2 1 311.474 0.358 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[S@@](=O)C(C)(C)C ZINC000304752762 685212111 /nfs/dbraw/zinc/21/21/11/685212111.db2.gz KOOFRNBAEAZTQZ-FKIZINRSSA-N 2 1 302.488 0.922 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958219011 687450518 /nfs/dbraw/zinc/45/05/18/687450518.db2.gz GXRQVTXVCYGFGH-UKRRQHHQSA-N 2 1 300.362 0.543 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222678 687454817 /nfs/dbraw/zinc/45/48/17/687454817.db2.gz FWJSUQUHWBXWIY-ZBFHGGJFSA-N 2 1 312.373 0.380 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222511 687454891 /nfs/dbraw/zinc/45/48/91/687454891.db2.gz FANAXUIAQPVFHD-HOCLYGCPSA-N 2 1 312.373 0.380 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958345893 687566489 /nfs/dbraw/zinc/56/64/89/687566489.db2.gz UJUYPYONNVIUIA-CABCVRRESA-N 2 1 319.405 0.387 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279890 688586922 /nfs/dbraw/zinc/58/69/22/688586922.db2.gz IUFYNWRHTPNWBU-AHRVAXILSA-N 2 1 303.406 0.082 20 30 DCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961279890 688586925 /nfs/dbraw/zinc/58/69/25/688586925.db2.gz IUFYNWRHTPNWBU-AHRVAXILSA-N 2 1 303.406 0.082 20 30 DCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961279890 688586926 /nfs/dbraw/zinc/58/69/26/688586926.db2.gz IUFYNWRHTPNWBU-AHRVAXILSA-N 2 1 303.406 0.082 20 30 DCEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796647 690392611 /nfs/dbraw/zinc/39/26/11/690392611.db2.gz MAAWLJFSZZZLOZ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796647 690392616 /nfs/dbraw/zinc/39/26/16/690392616.db2.gz MAAWLJFSZZZLOZ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968796647 690392620 /nfs/dbraw/zinc/39/26/20/690392620.db2.gz MAAWLJFSZZZLOZ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968796647 690392625 /nfs/dbraw/zinc/39/26/25/690392625.db2.gz MAAWLJFSZZZLOZ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001018111312 693044419 /nfs/dbraw/zinc/04/44/19/693044419.db2.gz BUHMPCKMMMLCNO-GASCZTMLSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001018111312 693044424 /nfs/dbraw/zinc/04/44/24/693044424.db2.gz BUHMPCKMMMLCNO-GASCZTMLSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040731406 694601568 /nfs/dbraw/zinc/60/15/68/694601568.db2.gz JGAIYVJRQZPJEK-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040731406 694601575 /nfs/dbraw/zinc/60/15/75/694601575.db2.gz JGAIYVJRQZPJEK-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760847 694661584 /nfs/dbraw/zinc/66/15/84/694661584.db2.gz QQJLZDULSNNPCZ-LSDHHAIUSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760847 694661585 /nfs/dbraw/zinc/66/15/85/694661585.db2.gz QQJLZDULSNNPCZ-LSDHHAIUSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760847 694661586 /nfs/dbraw/zinc/66/15/86/694661586.db2.gz QQJLZDULSNNPCZ-LSDHHAIUSA-N 2 1 305.422 0.570 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073449390 694728429 /nfs/dbraw/zinc/72/84/29/694728429.db2.gz WJUZIDZKEYDKKR-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073449390 694728431 /nfs/dbraw/zinc/72/84/31/694728431.db2.gz WJUZIDZKEYDKKR-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073449390 694728432 /nfs/dbraw/zinc/72/84/32/694728432.db2.gz WJUZIDZKEYDKKR-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073449390 694728434 /nfs/dbraw/zinc/72/84/34/694728434.db2.gz WJUZIDZKEYDKKR-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605451 694750475 /nfs/dbraw/zinc/75/04/75/694750475.db2.gz KZNMNVAMQWAFOU-HZPDHXFCSA-N 2 1 307.438 0.721 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755492 694777724 /nfs/dbraw/zinc/77/77/24/694777724.db2.gz ALQCYLTVMPUPAA-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076588833 695030317 /nfs/dbraw/zinc/03/03/17/695030317.db2.gz HNFLMNJGOFRPJR-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076588833 695030318 /nfs/dbraw/zinc/03/03/18/695030318.db2.gz HNFLMNJGOFRPJR-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076588833 695030319 /nfs/dbraw/zinc/03/03/19/695030319.db2.gz HNFLMNJGOFRPJR-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076588833 695030320 /nfs/dbraw/zinc/03/03/20/695030320.db2.gz HNFLMNJGOFRPJR-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCO ZINC001570532669 1162537388 /nfs/dbraw/zinc/53/73/88/1162537388.db2.gz LCFBIEWWWCDOIU-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCO ZINC001570532669 1162537394 /nfs/dbraw/zinc/53/73/94/1162537394.db2.gz LCFBIEWWWCDOIU-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCO ZINC001570532669 1162537397 /nfs/dbraw/zinc/53/73/97/1162537397.db2.gz LCFBIEWWWCDOIU-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCO ZINC001570532669 1162537403 /nfs/dbraw/zinc/53/74/03/1162537403.db2.gz LCFBIEWWWCDOIU-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001570545800 1162540953 /nfs/dbraw/zinc/54/09/53/1162540953.db2.gz XZUFVEGVMITXDB-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001570545800 1162540962 /nfs/dbraw/zinc/54/09/62/1162540962.db2.gz XZUFVEGVMITXDB-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001570718445 1162599152 /nfs/dbraw/zinc/59/91/52/1162599152.db2.gz WJGCSBFITJLXDT-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001570916701 1162650166 /nfs/dbraw/zinc/65/01/66/1162650166.db2.gz XDRKFGRDAKEJCA-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001570916701 1162650168 /nfs/dbraw/zinc/65/01/68/1162650168.db2.gz XDRKFGRDAKEJCA-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001570916701 1162650170 /nfs/dbraw/zinc/65/01/70/1162650170.db2.gz XDRKFGRDAKEJCA-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001570916701 1162650172 /nfs/dbraw/zinc/65/01/72/1162650172.db2.gz XDRKFGRDAKEJCA-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C ZINC001571372606 1162722282 /nfs/dbraw/zinc/72/22/82/1162722282.db2.gz PMYSGXMLSWYXPP-MRXNPFEDSA-N 2 1 318.421 0.668 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001571440530 1162756801 /nfs/dbraw/zinc/75/68/01/1162756801.db2.gz DIOQROZSUPJPAC-CJNGLKHVSA-N 2 1 313.417 0.289 20 30 DCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001571448668 1162762806 /nfs/dbraw/zinc/76/28/06/1162762806.db2.gz ZRJAUMDTVDNXMN-HOTGVXAUSA-N 2 1 305.422 0.932 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC1(C)C ZINC001571564782 1162813329 /nfs/dbraw/zinc/81/33/29/1162813329.db2.gz KOXZGTOQLIKFPO-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001672024140 1157435797 /nfs/dbraw/zinc/43/57/97/1157435797.db2.gz GEZHLRXHMINEPW-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001672024140 1157435801 /nfs/dbraw/zinc/43/58/01/1157435801.db2.gz GEZHLRXHMINEPW-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001672024140 1157435802 /nfs/dbraw/zinc/43/58/02/1157435802.db2.gz GEZHLRXHMINEPW-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001691123074 1157589247 /nfs/dbraw/zinc/58/92/47/1157589247.db2.gz AGHCWNKTDIMYOX-KFWWJZLASA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001691316754 1157640023 /nfs/dbraw/zinc/64/00/23/1157640023.db2.gz BFDLZYMBKFBZJK-CQSZACIVSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691571111 1158341274 /nfs/dbraw/zinc/34/12/74/1158341274.db2.gz FNJABYFZZOXGLT-ZNMIVQPWSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001691609854 1158356410 /nfs/dbraw/zinc/35/64/10/1158356410.db2.gz LYXDSQRIIKCGSC-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001671694695 1158655380 /nfs/dbraw/zinc/65/53/80/1158655380.db2.gz VYYGPFKISVHOAL-WMLDXEAASA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001671694695 1158655384 /nfs/dbraw/zinc/65/53/84/1158655384.db2.gz VYYGPFKISVHOAL-WMLDXEAASA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671694695 1158655389 /nfs/dbraw/zinc/65/53/89/1158655389.db2.gz VYYGPFKISVHOAL-WMLDXEAASA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671694695 1158655391 /nfs/dbraw/zinc/65/53/91/1158655391.db2.gz VYYGPFKISVHOAL-WMLDXEAASA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1OCC ZINC001691781498 1158675113 /nfs/dbraw/zinc/67/51/13/1158675113.db2.gz SVHBOMVZWCUQGX-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001565876116 1159919269 /nfs/dbraw/zinc/91/92/69/1159919269.db2.gz AGHCWNKTDIMYOX-RBSFLKMASA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566672241 1160124262 /nfs/dbraw/zinc/12/42/62/1160124262.db2.gz JFWPPDCUMRQSKX-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566672241 1160124265 /nfs/dbraw/zinc/12/42/65/1160124265.db2.gz JFWPPDCUMRQSKX-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001566813798 1160160398 /nfs/dbraw/zinc/16/03/98/1160160398.db2.gz OOHQCVRYHSHFND-KKUMJFAQSA-N 2 1 322.453 0.350 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)C1=O ZINC001567106110 1160242750 /nfs/dbraw/zinc/24/27/50/1160242750.db2.gz RBCRABUZMOJNDR-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001567720549 1160463193 /nfs/dbraw/zinc/46/31/93/1160463193.db2.gz ATJDAULMVRUCDD-UHFFFAOYSA-N 2 1 320.481 0.572 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001568007864 1160561136 /nfs/dbraw/zinc/56/11/36/1160561136.db2.gz HAMPIZSWLYXSMR-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nccn1C ZINC001568642700 1160720459 /nfs/dbraw/zinc/72/04/59/1160720459.db2.gz RUMPZDODKRBWRC-CABCVRRESA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nccn1C ZINC001568642700 1160720463 /nfs/dbraw/zinc/72/04/63/1160720463.db2.gz RUMPZDODKRBWRC-CABCVRRESA-N 2 1 317.437 0.502 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001569662545 1161188191 /nfs/dbraw/zinc/18/81/91/1161188191.db2.gz VUAQHVWFNNDVAD-RHSMWYFYSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCOCC1 ZINC001569730132 1161209693 /nfs/dbraw/zinc/20/96/93/1161209693.db2.gz DHJXCUMQJGYCSF-JKSUJKDBSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001569730131 1161209911 /nfs/dbraw/zinc/20/99/11/1161209911.db2.gz DHJXCUMQJGYCSF-HZPDHXFCSA-N 2 1 319.449 0.892 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569761998 1161232603 /nfs/dbraw/zinc/23/26/03/1161232603.db2.gz DKUTVBITACOCJZ-QGZVFWFLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001569856582 1161286797 /nfs/dbraw/zinc/28/67/97/1161286797.db2.gz VITCPHQHOIAINV-LSDHHAIUSA-N 2 1 324.469 0.313 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001569937377 1161332580 /nfs/dbraw/zinc/33/25/80/1161332580.db2.gz UUIBNHNRAJAGCW-HOTGVXAUSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001656784549 1173886006 /nfs/dbraw/zinc/88/60/06/1173886006.db2.gz SQILACRHBGXJDA-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001660921808 1174069793 /nfs/dbraw/zinc/06/97/93/1174069793.db2.gz SOGCNBYQMVKEPE-UHFFFAOYSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CCC[C@H](O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001663181690 1174274693 /nfs/dbraw/zinc/27/46/93/1174274693.db2.gz ZMLWVSUIEDPMMN-HNNXBMFYSA-N 2 1 303.410 0.092 20 30 DCEDMP CC#CC[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001663944141 1174374991 /nfs/dbraw/zinc/37/49/91/1174374991.db2.gz PIKAXDWNLCLDCH-OAHLLOKOSA-N 2 1 303.410 0.861 20 30 DCEDMP CC#CC[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001663944141 1174374996 /nfs/dbraw/zinc/37/49/96/1174374996.db2.gz PIKAXDWNLCLDCH-OAHLLOKOSA-N 2 1 303.410 0.861 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001664772514 1174458745 /nfs/dbraw/zinc/45/87/45/1174458745.db2.gz WFHUUGOAGDPUPZ-IAGOWNOFSA-N 2 1 320.481 0.426 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001664772514 1174458750 /nfs/dbraw/zinc/45/87/50/1174458750.db2.gz WFHUUGOAGDPUPZ-IAGOWNOFSA-N 2 1 320.481 0.426 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001664772514 1174458754 /nfs/dbraw/zinc/45/87/54/1174458754.db2.gz WFHUUGOAGDPUPZ-IAGOWNOFSA-N 2 1 320.481 0.426 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001664772514 1174458757 /nfs/dbraw/zinc/45/87/57/1174458757.db2.gz WFHUUGOAGDPUPZ-IAGOWNOFSA-N 2 1 320.481 0.426 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001664835420 1174464023 /nfs/dbraw/zinc/46/40/23/1174464023.db2.gz GXRLGEATAGZOMW-MRXNPFEDSA-N 2 1 321.465 0.758 20 30 DCEDMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001665737499 1174559193 /nfs/dbraw/zinc/55/91/93/1174559193.db2.gz JVBZGFVDHPUKSO-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001665737499 1174559197 /nfs/dbraw/zinc/55/91/97/1174559197.db2.gz JVBZGFVDHPUKSO-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnns1 ZINC001666563042 1174610489 /nfs/dbraw/zinc/61/04/89/1174610489.db2.gz GMRCXHDLKUPHPF-OCCSQVGLSA-N 2 1 321.450 0.478 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnns1 ZINC001666563042 1174610493 /nfs/dbraw/zinc/61/04/93/1174610493.db2.gz GMRCXHDLKUPHPF-OCCSQVGLSA-N 2 1 321.450 0.478 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001672009519 1175063162 /nfs/dbraw/zinc/06/31/62/1175063162.db2.gz ZXTLRBKRYMJUPZ-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001672009519 1175063165 /nfs/dbraw/zinc/06/31/65/1175063165.db2.gz ZXTLRBKRYMJUPZ-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001672364327 1175102228 /nfs/dbraw/zinc/10/22/28/1175102228.db2.gz BDBJNGCHEIYANL-JYJNAYRXSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001672364327 1175102231 /nfs/dbraw/zinc/10/22/31/1175102231.db2.gz BDBJNGCHEIYANL-JYJNAYRXSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001673671877 1175221996 /nfs/dbraw/zinc/22/19/96/1175221996.db2.gz QGPPYRCTICKVHM-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001673885845 1175238085 /nfs/dbraw/zinc/23/80/85/1175238085.db2.gz RFWVFHVTEIZKOH-ZFWWWQNUSA-N 2 1 304.394 0.278 20 30 DCEDMP CCC[C@@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@H+]1CCOC ZINC001676930535 1175504254 /nfs/dbraw/zinc/50/42/54/1175504254.db2.gz SPFVQHDHABRAEV-MRXNPFEDSA-N 2 1 324.469 0.694 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001676959274 1175508122 /nfs/dbraw/zinc/50/81/22/1175508122.db2.gz UEUJSGXNEFEMDY-HZPDHXFCSA-N 2 1 307.438 0.607 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001685482727 1176034535 /nfs/dbraw/zinc/03/45/35/1176034535.db2.gz BLVAUCKNOLBWDS-HNNXBMFYSA-N 2 1 308.426 0.104 20 30 DCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001689206828 1176741182 /nfs/dbraw/zinc/74/11/82/1176741182.db2.gz XPSAQERRIQOMRQ-OAHLLOKOSA-N 2 1 306.410 0.663 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001689206828 1176741183 /nfs/dbraw/zinc/74/11/83/1176741183.db2.gz XPSAQERRIQOMRQ-OAHLLOKOSA-N 2 1 306.410 0.663 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001689259968 1176774078 /nfs/dbraw/zinc/77/40/78/1176774078.db2.gz SFRCYKBUBUYLON-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001689259968 1176774083 /nfs/dbraw/zinc/77/40/83/1176774083.db2.gz SFRCYKBUBUYLON-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001690049293 1177151109 /nfs/dbraw/zinc/15/11/09/1177151109.db2.gz KXWLLYNYOKKCNV-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001690049293 1177151112 /nfs/dbraw/zinc/15/11/12/1177151112.db2.gz KXWLLYNYOKKCNV-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001690049293 1177151114 /nfs/dbraw/zinc/15/11/14/1177151114.db2.gz KXWLLYNYOKKCNV-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001690049293 1177151117 /nfs/dbraw/zinc/15/11/17/1177151117.db2.gz KXWLLYNYOKKCNV-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001690055626 1177153352 /nfs/dbraw/zinc/15/33/52/1177153352.db2.gz QAYHQXPUARENKF-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001690055626 1177153357 /nfs/dbraw/zinc/15/33/57/1177153357.db2.gz QAYHQXPUARENKF-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001690055626 1177153360 /nfs/dbraw/zinc/15/33/60/1177153360.db2.gz QAYHQXPUARENKF-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001690356632 1177221173 /nfs/dbraw/zinc/22/11/73/1177221173.db2.gz PWCYMFMQRRQPKG-GASCZTMLSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001698563926 1177557781 /nfs/dbraw/zinc/55/77/81/1177557781.db2.gz RRXZGKPQBDJLSH-IRXDYDNUSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001698563926 1177557796 /nfs/dbraw/zinc/55/77/96/1177557796.db2.gz RRXZGKPQBDJLSH-IRXDYDNUSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001698871296 1177701069 /nfs/dbraw/zinc/70/10/69/1177701069.db2.gz MIVYSMYKCDHRSW-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001699025561 1177777024 /nfs/dbraw/zinc/77/70/24/1177777024.db2.gz ACCJYKFEOSWRGK-JKSUJKDBSA-N 2 1 318.421 0.716 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCOC1 ZINC001699407985 1178123346 /nfs/dbraw/zinc/12/33/46/1178123346.db2.gz YEPQAYFNFABHAV-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCOC1 ZINC001699407985 1178123352 /nfs/dbraw/zinc/12/33/52/1178123352.db2.gz YEPQAYFNFABHAV-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001699669758 1178246520 /nfs/dbraw/zinc/24/65/20/1178246520.db2.gz KVYRGGVCGPEUAO-KGLIPLIRSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001699923880 1178384409 /nfs/dbraw/zinc/38/44/09/1178384409.db2.gz RWJWBGXUIPAXGM-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001699993267 1178411104 /nfs/dbraw/zinc/41/11/04/1178411104.db2.gz MUEZFPLTKYAYKY-NVXWUHKLSA-N 2 1 320.481 0.520 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001700093035 1178475824 /nfs/dbraw/zinc/47/58/24/1178475824.db2.gz CNOYZLKGOHFNGW-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001700093035 1178475828 /nfs/dbraw/zinc/47/58/28/1178475828.db2.gz CNOYZLKGOHFNGW-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001700321398 1178581918 /nfs/dbraw/zinc/58/19/18/1178581918.db2.gz ZYQAJVDSTWLYCG-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001700321398 1178581921 /nfs/dbraw/zinc/58/19/21/1178581921.db2.gz ZYQAJVDSTWLYCG-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001700321398 1178581926 /nfs/dbraw/zinc/58/19/26/1178581926.db2.gz ZYQAJVDSTWLYCG-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001700321398 1178581929 /nfs/dbraw/zinc/58/19/29/1178581929.db2.gz ZYQAJVDSTWLYCG-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001700965616 1178847471 /nfs/dbraw/zinc/84/74/71/1178847471.db2.gz YKXJBUOUDBKPBO-DLBZAZTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001700965616 1178847482 /nfs/dbraw/zinc/84/74/82/1178847482.db2.gz YKXJBUOUDBKPBO-DLBZAZTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001700965616 1178847493 /nfs/dbraw/zinc/84/74/93/1178847493.db2.gz YKXJBUOUDBKPBO-DLBZAZTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001707139768 1180423054 /nfs/dbraw/zinc/42/30/54/1180423054.db2.gz LOQZSSIWRRMWQC-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001707179435 1180428370 /nfs/dbraw/zinc/42/83/70/1180428370.db2.gz MLOISFUXZWHKCO-GFCCVEGCSA-N 2 1 319.409 0.416 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001713804805 1181081516 /nfs/dbraw/zinc/08/15/16/1181081516.db2.gz WVORQKQQCPQAIW-HNNXBMFYSA-N 2 1 305.422 0.313 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001713804805 1181081522 /nfs/dbraw/zinc/08/15/22/1181081522.db2.gz WVORQKQQCPQAIW-HNNXBMFYSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001714244770 1181293388 /nfs/dbraw/zinc/29/33/88/1181293388.db2.gz WUKOJEBVZGWQFS-HOCLYGCPSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001714244770 1181293392 /nfs/dbraw/zinc/29/33/92/1181293392.db2.gz WUKOJEBVZGWQFS-HOCLYGCPSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001714278659 1181305210 /nfs/dbraw/zinc/30/52/10/1181305210.db2.gz NEDHIGFESXBDKO-LSDHHAIUSA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001715095331 1181685877 /nfs/dbraw/zinc/68/58/77/1181685877.db2.gz PWNANRAWJHHIEC-HZPDHXFCSA-N 2 1 321.465 0.995 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001715214102 1181718954 /nfs/dbraw/zinc/71/89/54/1181718954.db2.gz WMMDGKRTJPSREY-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001715520783 1181839026 /nfs/dbraw/zinc/83/90/26/1181839026.db2.gz QHMUAZQMKITPCK-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715520783 1181839031 /nfs/dbraw/zinc/83/90/31/1181839031.db2.gz QHMUAZQMKITPCK-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001715520783 1181839035 /nfs/dbraw/zinc/83/90/35/1181839035.db2.gz QHMUAZQMKITPCK-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001716003494 1182139616 /nfs/dbraw/zinc/13/96/16/1182139616.db2.gz PJCCXTYRBZZNKO-LSDHHAIUSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001716003494 1182139617 /nfs/dbraw/zinc/13/96/17/1182139617.db2.gz PJCCXTYRBZZNKO-LSDHHAIUSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001716003494 1182139621 /nfs/dbraw/zinc/13/96/21/1182139621.db2.gz PJCCXTYRBZZNKO-LSDHHAIUSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001716003494 1182139624 /nfs/dbraw/zinc/13/96/24/1182139624.db2.gz PJCCXTYRBZZNKO-LSDHHAIUSA-N 2 1 322.453 0.115 20 30 DCEDMP COCC#CC[NH2+]CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001716586176 1182456026 /nfs/dbraw/zinc/45/60/26/1182456026.db2.gz NJCJWFFWIOUOGW-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001716685255 1182496273 /nfs/dbraw/zinc/49/62/73/1182496273.db2.gz VNTAAKRZAQGMFR-CVEARBPZSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001716685255 1182496278 /nfs/dbraw/zinc/49/62/78/1182496278.db2.gz VNTAAKRZAQGMFR-CVEARBPZSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001716811188 1182533510 /nfs/dbraw/zinc/53/35/10/1182533510.db2.gz QUFFRDPPBFLAKJ-DZGCQCFKSA-N 2 1 322.453 0.127 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C[C@H](C)O)CC1 ZINC001716885557 1182558079 /nfs/dbraw/zinc/55/80/79/1182558079.db2.gz VRZCAROUXFOLCJ-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C[C@H](C)O)CC1 ZINC001716885557 1182558084 /nfs/dbraw/zinc/55/80/84/1182558084.db2.gz VRZCAROUXFOLCJ-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001716920098 1182574332 /nfs/dbraw/zinc/57/43/32/1182574332.db2.gz NYCUSIUNIHILHY-GOEBONIOSA-N 2 1 313.417 0.243 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001716938406 1182593611 /nfs/dbraw/zinc/59/36/11/1182593611.db2.gz LWHDGUDLOSKWHA-UHFFFAOYSA-N 2 1 321.465 0.992 20 30 DCEDMP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001717250548 1182747957 /nfs/dbraw/zinc/74/79/57/1182747957.db2.gz RJRHCMVFAJYMDQ-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)C[C@H](C)O)CC1 ZINC001717376132 1182807661 /nfs/dbraw/zinc/80/76/61/1182807661.db2.gz KWMQRXSAFHWZKS-RDJZCZTQSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCOC)C1 ZINC001717386323 1182813792 /nfs/dbraw/zinc/81/37/92/1182813792.db2.gz JRIPVERHEMNSQC-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCOC)C1 ZINC001717386323 1182813799 /nfs/dbraw/zinc/81/37/99/1182813799.db2.gz JRIPVERHEMNSQC-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC#CCOC)CC1 ZINC001717498449 1182865333 /nfs/dbraw/zinc/86/53/33/1182865333.db2.gz BIOBQAPNDYFINN-INIZCTEOSA-N 2 1 319.449 0.418 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001717783720 1182998750 /nfs/dbraw/zinc/99/87/50/1182998750.db2.gz COEZZHFVQAFMRY-KRWDZBQOSA-N 2 1 317.433 0.445 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001717944637 1183084135 /nfs/dbraw/zinc/08/41/35/1183084135.db2.gz NBGAJVYYRZCWLT-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722905336 1184229042 /nfs/dbraw/zinc/22/90/42/1184229042.db2.gz PSMLDRCSDJQIHN-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722905336 1184229046 /nfs/dbraw/zinc/22/90/46/1184229046.db2.gz PSMLDRCSDJQIHN-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001724427236 1184439325 /nfs/dbraw/zinc/43/93/25/1184439325.db2.gz MLBRNFIRZHPMAA-KRWDZBQOSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001724428325 1184440124 /nfs/dbraw/zinc/44/01/24/1184440124.db2.gz VHEIIZLVIJVREE-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCC(C)C)C1 ZINC001724819372 1184574220 /nfs/dbraw/zinc/57/42/20/1184574220.db2.gz XLPRATBNYOZOIY-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCC(C)C)C1 ZINC001724819372 1184574227 /nfs/dbraw/zinc/57/42/27/1184574227.db2.gz XLPRATBNYOZOIY-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001725061057 1184670522 /nfs/dbraw/zinc/67/05/22/1184670522.db2.gz VHWQQGIJWKJPPZ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001725061057 1184670544 /nfs/dbraw/zinc/67/05/44/1184670544.db2.gz VHWQQGIJWKJPPZ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001725427840 1184817833 /nfs/dbraw/zinc/81/78/33/1184817833.db2.gz VFTRLZHNIXYRGF-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001725614819 1184913193 /nfs/dbraw/zinc/91/31/93/1184913193.db2.gz AQHXEQIXWSMJTD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001725614819 1184913195 /nfs/dbraw/zinc/91/31/95/1184913195.db2.gz AQHXEQIXWSMJTD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001725614819 1184913202 /nfs/dbraw/zinc/91/32/02/1184913202.db2.gz AQHXEQIXWSMJTD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001725614819 1184913205 /nfs/dbraw/zinc/91/32/05/1184913205.db2.gz AQHXEQIXWSMJTD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001725715318 1184964869 /nfs/dbraw/zinc/96/48/69/1184964869.db2.gz FFHREAAWTMWTPL-CYBMUJFWSA-N 2 1 324.425 0.677 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001725715318 1184964872 /nfs/dbraw/zinc/96/48/72/1184964872.db2.gz FFHREAAWTMWTPL-CYBMUJFWSA-N 2 1 324.425 0.677 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC#CCOC ZINC001731287027 1185243904 /nfs/dbraw/zinc/24/39/04/1185243904.db2.gz XXQGMYVRZXNKRF-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC#CCOC ZINC001731287027 1185243907 /nfs/dbraw/zinc/24/39/07/1185243907.db2.gz XXQGMYVRZXNKRF-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC#CCOC ZINC001731287027 1185243909 /nfs/dbraw/zinc/24/39/09/1185243909.db2.gz XXQGMYVRZXNKRF-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001731411171 1185323260 /nfs/dbraw/zinc/32/32/60/1185323260.db2.gz OHPZRSYYBNLWFX-HNNXBMFYSA-N 2 1 304.394 0.326 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCO ZINC001731546584 1185383611 /nfs/dbraw/zinc/38/36/11/1185383611.db2.gz MFQGQLCWDSTIQC-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCO ZINC001731546584 1185383615 /nfs/dbraw/zinc/38/36/15/1185383615.db2.gz MFQGQLCWDSTIQC-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001731911339 1185566886 /nfs/dbraw/zinc/56/68/86/1185566886.db2.gz OGGXXRGPLTXVPF-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP COCC#CCN1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001732128339 1185687936 /nfs/dbraw/zinc/68/79/36/1185687936.db2.gz FFNZYESGCGFPMG-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001732128339 1185687937 /nfs/dbraw/zinc/68/79/37/1185687937.db2.gz FFNZYESGCGFPMG-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001732128339 1185687939 /nfs/dbraw/zinc/68/79/39/1185687939.db2.gz FFNZYESGCGFPMG-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001733374841 1186246248 /nfs/dbraw/zinc/24/62/48/1186246248.db2.gz BYWSOCBHOBRXSS-JKSUJKDBSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CC=C)CC1 ZINC001733578571 1186340731 /nfs/dbraw/zinc/34/07/31/1186340731.db2.gz GYOUYNKLBRZPOT-KRWDZBQOSA-N 2 1 318.465 0.440 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CC=C)CC1 ZINC001733578571 1186340734 /nfs/dbraw/zinc/34/07/34/1186340734.db2.gz GYOUYNKLBRZPOT-KRWDZBQOSA-N 2 1 318.465 0.440 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001733582160 1186341736 /nfs/dbraw/zinc/34/17/36/1186341736.db2.gz ZGCYDTJZRJCDDX-HNNXBMFYSA-N 2 1 308.470 0.684 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001733820076 1186461080 /nfs/dbraw/zinc/46/10/80/1186461080.db2.gz DOISRUUATBKOKQ-XYJFISCASA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001733857826 1186477618 /nfs/dbraw/zinc/47/76/18/1186477618.db2.gz RBDSMHBODTVVRB-ZFWWWQNUSA-N 2 1 304.394 0.278 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001734628705 1186711347 /nfs/dbraw/zinc/71/13/47/1186711347.db2.gz RYKGBRCKICWXKG-UHFFFAOYSA-N 2 1 319.449 0.869 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001752790411 1188441433 /nfs/dbraw/zinc/44/14/33/1188441433.db2.gz XXHREWLKOXRJPF-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001752983846 1188471706 /nfs/dbraw/zinc/47/17/06/1188471706.db2.gz PWGHLGCOVJAHPJ-CVEARBPZSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CCCO)CC1 ZINC001754643127 1188896816 /nfs/dbraw/zinc/89/68/16/1188896816.db2.gz LSJHEMAQQWTAIK-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754683615 1188906006 /nfs/dbraw/zinc/90/60/06/1188906006.db2.gz LLMIWQLHCOBSIE-INIZCTEOSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001754857163 1188951405 /nfs/dbraw/zinc/95/14/05/1188951405.db2.gz AOBPFLCCGNRPBB-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001754857163 1188951408 /nfs/dbraw/zinc/95/14/08/1188951408.db2.gz AOBPFLCCGNRPBB-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001754857163 1188951411 /nfs/dbraw/zinc/95/14/11/1188951411.db2.gz AOBPFLCCGNRPBB-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001754909618 1188971415 /nfs/dbraw/zinc/97/14/15/1188971415.db2.gz ZIIVDVWZHVAXLN-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001755354887 1189089900 /nfs/dbraw/zinc/08/99/00/1189089900.db2.gz SNHGGHDZUZQFAM-UHFFFAOYSA-N 2 1 307.438 0.751 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCOCC)C1 ZINC001755379923 1189096231 /nfs/dbraw/zinc/09/62/31/1189096231.db2.gz VWOCOVIODBYISD-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCOCC)C1 ZINC001755379923 1189096234 /nfs/dbraw/zinc/09/62/34/1189096234.db2.gz VWOCOVIODBYISD-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001755571980 1189150025 /nfs/dbraw/zinc/15/00/25/1189150025.db2.gz AEPZQIAXPQQAGR-MRXNPFEDSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755573082 1189150703 /nfs/dbraw/zinc/15/07/03/1189150703.db2.gz MGSWSZBXPBFWLU-LSDHHAIUSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001755884298 1189247993 /nfs/dbraw/zinc/24/79/93/1189247993.db2.gz OQXCGIAOCOLESK-INIZCTEOSA-N 2 1 323.437 0.268 20 30 DCEDMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001755884298 1189248001 /nfs/dbraw/zinc/24/80/01/1189248001.db2.gz OQXCGIAOCOLESK-INIZCTEOSA-N 2 1 323.437 0.268 20 30 DCEDMP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001755884298 1189248007 /nfs/dbraw/zinc/24/80/07/1189248007.db2.gz OQXCGIAOCOLESK-INIZCTEOSA-N 2 1 323.437 0.268 20 30 DCEDMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001755884298 1189248011 /nfs/dbraw/zinc/24/80/11/1189248011.db2.gz OQXCGIAOCOLESK-INIZCTEOSA-N 2 1 323.437 0.268 20 30 DCEDMP C[N@H+]1CCO[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@@H]21 ZINC001164670352 719370248 /nfs/dbraw/zinc/37/02/48/719370248.db2.gz UQMUXCIZHMFSMF-HOTGVXAUSA-N 2 1 313.405 0.508 20 30 DCEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001578525133 1165042692 /nfs/dbraw/zinc/04/26/92/1165042692.db2.gz RSMHNBDXOWRZEA-OAHLLOKOSA-N 3 1 309.458 0.492 20 30 DCEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001578525133 1165042698 /nfs/dbraw/zinc/04/26/98/1165042698.db2.gz RSMHNBDXOWRZEA-OAHLLOKOSA-N 3 1 309.458 0.492 20 30 DCEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089623242 751490500 /nfs/dbraw/zinc/49/05/00/751490500.db2.gz AKEBVTFDPKKGLA-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089623242 751490505 /nfs/dbraw/zinc/49/05/05/751490505.db2.gz AKEBVTFDPKKGLA-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089623242 751490515 /nfs/dbraw/zinc/49/05/15/751490515.db2.gz AKEBVTFDPKKGLA-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089623242 751490518 /nfs/dbraw/zinc/49/05/18/751490518.db2.gz AKEBVTFDPKKGLA-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106980820 751706416 /nfs/dbraw/zinc/70/64/16/751706416.db2.gz BTHRGIQAVOFOQK-BZUAXINKSA-N 2 1 307.438 0.272 20 30 DCEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098536424 747060795 /nfs/dbraw/zinc/06/07/95/747060795.db2.gz KEPKCGWXEDTLNU-UHFFFAOYSA-N 2 1 321.465 0.944 20 30 DCEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561347 747342044 /nfs/dbraw/zinc/34/20/44/747342044.db2.gz AICCLQUHBNSLND-UHFFFAOYSA-N 2 1 309.454 0.944 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248285 747422337 /nfs/dbraw/zinc/42/23/37/747422337.db2.gz YSQHZYVODXRWDS-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248285 747422341 /nfs/dbraw/zinc/42/23/41/747422341.db2.gz YSQHZYVODXRWDS-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248285 747422343 /nfs/dbraw/zinc/42/23/43/747422343.db2.gz YSQHZYVODXRWDS-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1CC ZINC001087576661 748985892 /nfs/dbraw/zinc/98/58/92/748985892.db2.gz VNLHUOUPONXZCS-GOEBONIOSA-N 2 1 317.437 0.661 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456102 749794702 /nfs/dbraw/zinc/79/47/02/749794702.db2.gz GTICDSQTXFZQQF-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456102 749794707 /nfs/dbraw/zinc/79/47/07/749794707.db2.gz GTICDSQTXFZQQF-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523442 750093442 /nfs/dbraw/zinc/09/34/42/750093442.db2.gz DJNPZYUDZRAPST-IKGGRYGDSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523442 750093446 /nfs/dbraw/zinc/09/34/46/750093446.db2.gz DJNPZYUDZRAPST-IKGGRYGDSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523442 750093450 /nfs/dbraw/zinc/09/34/50/750093450.db2.gz DJNPZYUDZRAPST-IKGGRYGDSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523442 750093455 /nfs/dbraw/zinc/09/34/55/750093455.db2.gz DJNPZYUDZRAPST-IKGGRYGDSA-N 2 1 319.449 0.578 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105942024 750592032 /nfs/dbraw/zinc/59/20/32/750592032.db2.gz VDSUMPVRODJNEV-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046039413 750855149 /nfs/dbraw/zinc/85/51/49/750855149.db2.gz XWJZLHPEQUQTGI-JKSUJKDBSA-N 2 1 306.454 0.178 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780163 750976046 /nfs/dbraw/zinc/97/60/46/750976046.db2.gz RCTDYQGCIJGQKB-UKRRQHHQSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780163 750976050 /nfs/dbraw/zinc/97/60/50/750976050.db2.gz RCTDYQGCIJGQKB-UKRRQHHQSA-N 2 1 318.425 0.279 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106323216 751108610 /nfs/dbraw/zinc/10/86/10/751108610.db2.gz YUPQMTTWXGAUQR-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107949942 752584450 /nfs/dbraw/zinc/58/44/50/752584450.db2.gz VQVVCRDKZXIOTE-SJLPKXTDSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107949942 752584458 /nfs/dbraw/zinc/58/44/58/752584458.db2.gz VQVVCRDKZXIOTE-SJLPKXTDSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001044654588 752822787 /nfs/dbraw/zinc/82/27/87/752822787.db2.gz PCFAHPDKVQQPAB-OLZOCXBDSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075857 753468237 /nfs/dbraw/zinc/46/82/37/753468237.db2.gz GVOFSQATQCCXSO-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075857 753468238 /nfs/dbraw/zinc/46/82/38/753468238.db2.gz GVOFSQATQCCXSO-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075857 753468239 /nfs/dbraw/zinc/46/82/39/753468239.db2.gz GVOFSQATQCCXSO-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108049665 753483947 /nfs/dbraw/zinc/48/39/47/753483947.db2.gz OKAHFOJZUFMKGR-KRWDZBQOSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108049665 753483951 /nfs/dbraw/zinc/48/39/51/753483951.db2.gz OKAHFOJZUFMKGR-KRWDZBQOSA-N 2 1 319.449 0.845 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212489326 753606304 /nfs/dbraw/zinc/60/63/04/753606304.db2.gz MWBUTADBCKINBC-HZPDHXFCSA-N 2 1 318.421 0.909 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212489326 753606311 /nfs/dbraw/zinc/60/63/11/753606311.db2.gz MWBUTADBCKINBC-HZPDHXFCSA-N 2 1 318.421 0.909 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001047638283 754452620 /nfs/dbraw/zinc/45/26/20/754452620.db2.gz LCAPJYBCSKAUTG-IRXDYDNUSA-N 2 1 319.449 0.245 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001045643157 754505832 /nfs/dbraw/zinc/50/58/32/754505832.db2.gz BRJSWTMRFWDTSM-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045643157 754505835 /nfs/dbraw/zinc/50/58/35/754505835.db2.gz BRJSWTMRFWDTSM-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182349 754946488 /nfs/dbraw/zinc/94/64/88/754946488.db2.gz GIVHRHPISHIFCQ-MRXNPFEDSA-N 2 1 313.442 0.348 20 30 DCEDMP C=CCOCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182349 754946491 /nfs/dbraw/zinc/94/64/91/754946491.db2.gz GIVHRHPISHIFCQ-MRXNPFEDSA-N 2 1 313.442 0.348 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824320 754962323 /nfs/dbraw/zinc/96/23/23/754962323.db2.gz YUOQATZTKHLGKH-IXDOHACOSA-N 2 1 301.434 0.742 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001048911906 755011736 /nfs/dbraw/zinc/01/17/36/755011736.db2.gz VPCBSEPJWWFANM-OKILXGFUSA-N 2 1 316.405 0.763 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001048911906 755011740 /nfs/dbraw/zinc/01/17/40/755011740.db2.gz VPCBSEPJWWFANM-OKILXGFUSA-N 2 1 316.405 0.763 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215862 755187326 /nfs/dbraw/zinc/18/73/26/755187326.db2.gz NSVLTUPCDAVKBV-YESZJQIVSA-N 2 1 321.465 0.921 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828258 755415698 /nfs/dbraw/zinc/41/56/98/755415698.db2.gz OAEDPPFEBSHFHN-IRXDYDNUSA-N 2 1 319.449 0.796 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001054107694 756368595 /nfs/dbraw/zinc/36/85/95/756368595.db2.gz GEQLEOSIDCYISQ-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001054107694 756368600 /nfs/dbraw/zinc/36/86/00/756368600.db2.gz GEQLEOSIDCYISQ-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054107694 756368606 /nfs/dbraw/zinc/36/86/06/756368606.db2.gz GEQLEOSIDCYISQ-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054107694 756368609 /nfs/dbraw/zinc/36/86/09/756368609.db2.gz GEQLEOSIDCYISQ-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090398757 757907928 /nfs/dbraw/zinc/90/79/28/757907928.db2.gz IFYQVWHILMQAIW-GJZGRUSLSA-N 2 1 300.362 0.685 20 30 DCEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098430061 760120436 /nfs/dbraw/zinc/12/04/36/760120436.db2.gz BANFNZCQLQVWOE-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098430061 760120442 /nfs/dbraw/zinc/12/04/42/760120442.db2.gz BANFNZCQLQVWOE-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001169562472 760728440 /nfs/dbraw/zinc/72/84/40/760728440.db2.gz DKISDWOGSKRLRT-SFHVURJKSA-N 2 1 320.481 0.899 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001071175825 761685316 /nfs/dbraw/zinc/68/53/16/761685316.db2.gz LRGRSLKESKWJSK-YJBOKZPZSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071175825 761685321 /nfs/dbraw/zinc/68/53/21/761685321.db2.gz LRGRSLKESKWJSK-YJBOKZPZSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071175825 761685328 /nfs/dbraw/zinc/68/53/28/761685328.db2.gz LRGRSLKESKWJSK-YJBOKZPZSA-N 2 1 319.449 0.796 20 30 DCEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241432 761732614 /nfs/dbraw/zinc/73/26/14/761732614.db2.gz UYWZRAXDPRITNK-WBVHZDCISA-N 2 1 307.438 0.960 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241515 761733350 /nfs/dbraw/zinc/73/33/50/761733350.db2.gz WDYJTJICVBGIBR-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100142469 761785103 /nfs/dbraw/zinc/78/51/03/761785103.db2.gz CRVZRVDYUWFTIW-IAGOWNOFSA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100142469 761785105 /nfs/dbraw/zinc/78/51/05/761785105.db2.gz CRVZRVDYUWFTIW-IAGOWNOFSA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100142469 761785110 /nfs/dbraw/zinc/78/51/10/761785110.db2.gz CRVZRVDYUWFTIW-IAGOWNOFSA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100142469 761785113 /nfs/dbraw/zinc/78/51/13/761785113.db2.gz CRVZRVDYUWFTIW-IAGOWNOFSA-N 2 1 317.433 0.856 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001099171976 762826145 /nfs/dbraw/zinc/82/61/45/762826145.db2.gz PBJDFRWEAHMRPO-UXLLHSPISA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001099171976 762826154 /nfs/dbraw/zinc/82/61/54/762826154.db2.gz PBJDFRWEAHMRPO-UXLLHSPISA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099171976 762826163 /nfs/dbraw/zinc/82/61/63/762826163.db2.gz PBJDFRWEAHMRPO-UXLLHSPISA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099171976 762826170 /nfs/dbraw/zinc/82/61/70/762826170.db2.gz PBJDFRWEAHMRPO-UXLLHSPISA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001099254884 762847546 /nfs/dbraw/zinc/84/75/46/762847546.db2.gz ZJHHXUOJBOQQAD-FDYHWXHSSA-N 2 1 317.355 0.939 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001099307330 762860078 /nfs/dbraw/zinc/86/00/78/762860078.db2.gz OJFMQNGMCSGVAI-YNEHKIRRSA-N 2 1 317.355 0.940 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001099307330 762860086 /nfs/dbraw/zinc/86/00/86/762860086.db2.gz OJFMQNGMCSGVAI-YNEHKIRRSA-N 2 1 317.355 0.940 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOc1ccccc1 ZINC001129790836 763004383 /nfs/dbraw/zinc/00/43/83/763004383.db2.gz KAKWCWUGMYJQBO-KRWDZBQOSA-N 2 1 315.417 0.869 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOc1ccccc1 ZINC001129790836 763004388 /nfs/dbraw/zinc/00/43/88/763004388.db2.gz KAKWCWUGMYJQBO-KRWDZBQOSA-N 2 1 315.417 0.869 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)C1CCCCC1 ZINC001129770125 763007443 /nfs/dbraw/zinc/00/74/43/763007443.db2.gz BHZLYYRXDDRLMP-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)C1CCCCC1 ZINC001129770125 763007447 /nfs/dbraw/zinc/00/74/47/763007447.db2.gz BHZLYYRXDDRLMP-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](OC)C1CCCC1 ZINC001129771093 763008191 /nfs/dbraw/zinc/00/81/91/763008191.db2.gz QPZUUEXBXMYAGK-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](OC)C1CCCC1 ZINC001129771093 763008193 /nfs/dbraw/zinc/00/81/93/763008193.db2.gz QPZUUEXBXMYAGK-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099937986 763143716 /nfs/dbraw/zinc/14/37/16/763143716.db2.gz OUVMECWHVXIPLI-LSDHHAIUSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099937986 763143720 /nfs/dbraw/zinc/14/37/20/763143720.db2.gz OUVMECWHVXIPLI-LSDHHAIUSA-N 2 1 307.438 0.436 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126648 763336005 /nfs/dbraw/zinc/33/60/05/763336005.db2.gz KOPVCRVRRRCVGM-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131379193 763789252 /nfs/dbraw/zinc/78/92/52/763789252.db2.gz SQUMDDLZHZGENT-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131379193 763789258 /nfs/dbraw/zinc/78/92/58/763789258.db2.gz SQUMDDLZHZGENT-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131379185 763789981 /nfs/dbraw/zinc/78/99/81/763789981.db2.gz RZRSUVBATUQSFA-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681684 763935424 /nfs/dbraw/zinc/93/54/24/763935424.db2.gz GIVZIMFDKLBZDZ-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001098477854 764141127 /nfs/dbraw/zinc/14/11/27/764141127.db2.gz MDHRNMWMWIREND-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477854 764141135 /nfs/dbraw/zinc/14/11/35/764141135.db2.gz MDHRNMWMWIREND-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477854 764141140 /nfs/dbraw/zinc/14/11/40/764141140.db2.gz MDHRNMWMWIREND-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOC)C[C@H]1C ZINC001092689621 768378384 /nfs/dbraw/zinc/37/83/84/768378384.db2.gz OMXANSMCCZTKDS-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC)C[C@H]1C ZINC001092689621 768378391 /nfs/dbraw/zinc/37/83/91/768378391.db2.gz OMXANSMCCZTKDS-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045952 764506016 /nfs/dbraw/zinc/50/60/16/764506016.db2.gz DNZVUTRZFTVVET-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOC)C[C@H]1C ZINC001092689621 768378398 /nfs/dbraw/zinc/37/83/98/768378398.db2.gz OMXANSMCCZTKDS-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOC)C[C@H]1C ZINC001092689621 768378405 /nfs/dbraw/zinc/37/84/05/768378405.db2.gz OMXANSMCCZTKDS-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001102475449 764657490 /nfs/dbraw/zinc/65/74/90/764657490.db2.gz PLDZXGZJWWIMBF-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580576 764712268 /nfs/dbraw/zinc/71/22/68/764712268.db2.gz COIWAICZJMCOJJ-BZUAXINKSA-N 2 1 307.438 0.272 20 30 DCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536759 765075926 /nfs/dbraw/zinc/07/59/26/765075926.db2.gz BFSSXOFVPDTOPO-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536759 765075936 /nfs/dbraw/zinc/07/59/36/765075936.db2.gz BFSSXOFVPDTOPO-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001133869728 765196253 /nfs/dbraw/zinc/19/62/53/765196253.db2.gz KERLUGCEZNAYTA-BBRMVZONSA-N 2 1 300.406 0.962 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090525370 766152655 /nfs/dbraw/zinc/15/26/55/766152655.db2.gz KWKZADZICWNVOT-LSDHHAIUSA-N 2 1 319.405 0.530 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001160003429 766347560 /nfs/dbraw/zinc/34/75/60/766347560.db2.gz ODQSDDCZTUFSEV-ZDUSSCGKSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001090706273 766494165 /nfs/dbraw/zinc/49/41/65/766494165.db2.gz HBUAMBAVSMABSE-IRXDYDNUSA-N 2 1 321.465 0.846 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001090830330 766648783 /nfs/dbraw/zinc/64/87/83/766648783.db2.gz LKZJRZRKDJBJGF-IRXDYDNUSA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001090830330 766648792 /nfs/dbraw/zinc/64/87/92/766648792.db2.gz LKZJRZRKDJBJGF-IRXDYDNUSA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC001090832010 766649765 /nfs/dbraw/zinc/64/97/65/766649765.db2.gz XSDXRKYAUMIYRF-SJORKVTESA-N 2 1 319.449 0.459 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@]2(C)C1 ZINC001091565283 767468330 /nfs/dbraw/zinc/46/83/30/767468330.db2.gz JRJKZSXIZWRPLK-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565283 767468333 /nfs/dbraw/zinc/46/83/33/767468333.db2.gz JRJKZSXIZWRPLK-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565283 767468338 /nfs/dbraw/zinc/46/83/38/767468338.db2.gz JRJKZSXIZWRPLK-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565283 767468344 /nfs/dbraw/zinc/46/83/44/767468344.db2.gz JRJKZSXIZWRPLK-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099918577 768374011 /nfs/dbraw/zinc/37/40/11/768374011.db2.gz NMNJYZHTLPXFAV-LSDHHAIUSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099918577 768374017 /nfs/dbraw/zinc/37/40/17/768374017.db2.gz NMNJYZHTLPXFAV-LSDHHAIUSA-N 2 1 306.410 0.709 20 30 DCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092910689 768415383 /nfs/dbraw/zinc/41/53/83/768415383.db2.gz IRVUMHFOJIQQKH-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092910689 768415388 /nfs/dbraw/zinc/41/53/88/768415388.db2.gz IRVUMHFOJIQQKH-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092910689 768415391 /nfs/dbraw/zinc/41/53/91/768415391.db2.gz IRVUMHFOJIQQKH-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001149803645 768865267 /nfs/dbraw/zinc/86/52/67/768865267.db2.gz BMMVVIQPGYBSEC-LSDHHAIUSA-N 2 1 313.417 0.507 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001149803645 768865277 /nfs/dbraw/zinc/86/52/77/768865277.db2.gz BMMVVIQPGYBSEC-LSDHHAIUSA-N 2 1 313.417 0.507 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150596037 769133882 /nfs/dbraw/zinc/13/38/82/769133882.db2.gz HBTFNDMABVGLPC-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150596037 769133890 /nfs/dbraw/zinc/13/38/90/769133890.db2.gz HBTFNDMABVGLPC-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001150596037 769133898 /nfs/dbraw/zinc/13/38/98/769133898.db2.gz HBTFNDMABVGLPC-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150777770 769185377 /nfs/dbraw/zinc/18/53/77/769185377.db2.gz GRTZBTQTBSQLJB-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150777770 769185378 /nfs/dbraw/zinc/18/53/78/769185378.db2.gz GRTZBTQTBSQLJB-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001151049439 769245812 /nfs/dbraw/zinc/24/58/12/769245812.db2.gz OUQPQHJWDBIVJU-CYBMUJFWSA-N 2 1 304.369 0.855 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2coc(C)n2)CC1 ZINC001152330014 769528968 /nfs/dbraw/zinc/52/89/68/769528968.db2.gz HMZPYHQYKCQHHW-UHFFFAOYSA-N 2 1 304.394 0.534 20 30 DCEDMP C=CCNCC[N@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387161 770008816 /nfs/dbraw/zinc/00/88/16/770008816.db2.gz VJGJXMKMYSILJA-UHFFFAOYSA-N 2 1 324.513 0.786 20 30 DCEDMP C=CCNCC[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387161 770008823 /nfs/dbraw/zinc/00/88/23/770008823.db2.gz VJGJXMKMYSILJA-UHFFFAOYSA-N 2 1 324.513 0.786 20 30 DCEDMP C=CC[NH2+]CCN(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387161 770008834 /nfs/dbraw/zinc/00/88/34/770008834.db2.gz VJGJXMKMYSILJA-UHFFFAOYSA-N 3 1 324.513 0.786 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001176972023 770264240 /nfs/dbraw/zinc/26/42/40/770264240.db2.gz LBDNPWYFMRLIEO-AWEZNQCLSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900449 770652505 /nfs/dbraw/zinc/65/25/05/770652505.db2.gz TVJSEOPWIJPNES-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900449 770652510 /nfs/dbraw/zinc/65/25/10/770652510.db2.gz TVJSEOPWIJPNES-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178536255 770783014 /nfs/dbraw/zinc/78/30/14/770783014.db2.gz SKSKWPOKLUDUPQ-JKSUJKDBSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001179304392 770983589 /nfs/dbraw/zinc/98/35/89/770983589.db2.gz ZNCUOZHIECHSNU-ZQDZILKHSA-N 2 1 322.453 0.350 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180135845 771061047 /nfs/dbraw/zinc/06/10/47/771061047.db2.gz MABNTXNETIACEZ-JSGCOSHPSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226836 771078388 /nfs/dbraw/zinc/07/83/88/771078388.db2.gz OPXVNBVTDKSNJN-KKUMJFAQSA-N 2 1 324.469 0.596 20 30 DCEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001180332411 771107325 /nfs/dbraw/zinc/10/73/25/771107325.db2.gz ZGJZBSNOUGAUOA-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001180332411 771107329 /nfs/dbraw/zinc/10/73/29/771107329.db2.gz ZGJZBSNOUGAUOA-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182693599 771535318 /nfs/dbraw/zinc/53/53/18/771535318.db2.gz YJHHDTIJHLHIEM-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001183040350 771596170 /nfs/dbraw/zinc/59/61/70/771596170.db2.gz PMIDOVOGMDFSMK-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158749876 771817483 /nfs/dbraw/zinc/81/74/83/771817483.db2.gz DQHIDDILQNNABZ-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C2C[NH2+]C2)ncn1 ZINC001159928398 771978275 /nfs/dbraw/zinc/97/82/75/771978275.db2.gz KHKODGDNPXIAFL-ZDUSSCGKSA-N 2 1 319.409 0.802 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NCCC ZINC001160209225 772009149 /nfs/dbraw/zinc/00/91/49/772009149.db2.gz DVOMIKJELFJUJW-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NCCC ZINC001160209225 772009152 /nfs/dbraw/zinc/00/91/52/772009152.db2.gz DVOMIKJELFJUJW-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001160997939 772146988 /nfs/dbraw/zinc/14/69/88/772146988.db2.gz XIOVZJXEJDOAJC-QGZVFWFLSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997939 772146989 /nfs/dbraw/zinc/14/69/89/772146989.db2.gz XIOVZJXEJDOAJC-QGZVFWFLSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997939 772146990 /nfs/dbraw/zinc/14/69/90/772146990.db2.gz XIOVZJXEJDOAJC-QGZVFWFLSA-N 2 1 319.449 0.867 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187851335 772234851 /nfs/dbraw/zinc/23/48/51/772234851.db2.gz PVNVJJZKNRSFKS-TZMCWYRMSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190240092 772609743 /nfs/dbraw/zinc/60/97/43/772609743.db2.gz ZXTSDKZCAFGLPA-QLFBSQMISA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190240092 772609746 /nfs/dbraw/zinc/60/97/46/772609746.db2.gz ZXTSDKZCAFGLPA-QLFBSQMISA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190240092 772609750 /nfs/dbraw/zinc/60/97/50/772609750.db2.gz ZXTSDKZCAFGLPA-QLFBSQMISA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190240092 772609754 /nfs/dbraw/zinc/60/97/54/772609754.db2.gz ZXTSDKZCAFGLPA-QLFBSQMISA-N 2 1 322.453 0.162 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675575 772662889 /nfs/dbraw/zinc/66/28/89/772662889.db2.gz REJDOXVHGINEDE-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675575 772662892 /nfs/dbraw/zinc/66/28/92/772662892.db2.gz REJDOXVHGINEDE-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675575 772662893 /nfs/dbraw/zinc/66/28/93/772662893.db2.gz REJDOXVHGINEDE-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164596807 772686942 /nfs/dbraw/zinc/68/69/42/772686942.db2.gz SHJPGVRUEXFBNR-HOTGVXAUSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192425357 772916088 /nfs/dbraw/zinc/91/60/88/772916088.db2.gz GCACMCZMIVBOHQ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001192844586 772968980 /nfs/dbraw/zinc/96/89/80/772968980.db2.gz YQPGGXPGVLFEOP-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001192844586 772968981 /nfs/dbraw/zinc/96/89/81/772968981.db2.gz YQPGGXPGVLFEOP-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001192844586 772968984 /nfs/dbraw/zinc/96/89/84/772968984.db2.gz YQPGGXPGVLFEOP-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026699 773140575 /nfs/dbraw/zinc/14/05/75/773140575.db2.gz IYOMOPPHFXPHSG-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCOC)C2)CC1 ZINC001194247627 773168180 /nfs/dbraw/zinc/16/81/80/773168180.db2.gz YQCUISISNQKCCS-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194284345 773175912 /nfs/dbraw/zinc/17/59/12/773175912.db2.gz GKCVRUVKABPHMR-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194284345 773175914 /nfs/dbraw/zinc/17/59/14/773175914.db2.gz GKCVRUVKABPHMR-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284345 773175916 /nfs/dbraw/zinc/17/59/16/773175916.db2.gz GKCVRUVKABPHMR-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284345 773175918 /nfs/dbraw/zinc/17/59/18/773175918.db2.gz GKCVRUVKABPHMR-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150120 773565469 /nfs/dbraw/zinc/56/54/69/773565469.db2.gz LFINKQFJKQZJGN-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196924995 773663797 /nfs/dbraw/zinc/66/37/97/773663797.db2.gz GZSQKGSEZOAICI-HUUCEWRRSA-N 2 1 304.394 0.156 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196924995 773663800 /nfs/dbraw/zinc/66/38/00/773663800.db2.gz GZSQKGSEZOAICI-HUUCEWRRSA-N 2 1 304.394 0.156 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210033089 773668478 /nfs/dbraw/zinc/66/84/78/773668478.db2.gz IFCNDFPKZLKKAC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210033089 773668482 /nfs/dbraw/zinc/66/84/82/773668482.db2.gz IFCNDFPKZLKKAC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033089 773668485 /nfs/dbraw/zinc/66/84/85/773668485.db2.gz IFCNDFPKZLKKAC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033089 773668488 /nfs/dbraw/zinc/66/84/88/773668488.db2.gz IFCNDFPKZLKKAC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197139237 773694109 /nfs/dbraw/zinc/69/41/09/773694109.db2.gz IWJXXCFWFZVLDR-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197139237 773694113 /nfs/dbraw/zinc/69/41/13/773694113.db2.gz IWJXXCFWFZVLDR-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001197331311 773733507 /nfs/dbraw/zinc/73/35/07/773733507.db2.gz JNVOWCNFVRQMLN-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001197331311 773733509 /nfs/dbraw/zinc/73/35/09/773733509.db2.gz JNVOWCNFVRQMLN-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210811462 773741994 /nfs/dbraw/zinc/74/19/94/773741994.db2.gz OJUJAHZLEZRSAL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445588 773907414 /nfs/dbraw/zinc/90/74/14/773907414.db2.gz KBUZZUKYBLXFRT-UHFFFAOYSA-N 2 1 310.442 0.233 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183105 774292381 /nfs/dbraw/zinc/29/23/81/774292381.db2.gz VVTADLPWFBUSPX-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183105 774292384 /nfs/dbraw/zinc/29/23/84/774292384.db2.gz VVTADLPWFBUSPX-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CCCO1 ZINC001200687644 774390360 /nfs/dbraw/zinc/39/03/60/774390360.db2.gz DVWYJWSPQQRRSY-CABCVRRESA-N 2 1 316.405 0.601 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001201037396 774442469 /nfs/dbraw/zinc/44/24/69/774442469.db2.gz IHOVWDXIHYDMRP-INIZCTEOSA-N 2 1 317.437 0.417 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732146 774593217 /nfs/dbraw/zinc/59/32/17/774593217.db2.gz OVRZXYVCLNRVAA-KFWWJZLASA-N 2 1 315.433 0.794 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830458 774623403 /nfs/dbraw/zinc/62/34/03/774623403.db2.gz XGXJJBYKGVJLOW-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830458 774623405 /nfs/dbraw/zinc/62/34/05/774623405.db2.gz XGXJJBYKGVJLOW-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830458 774623409 /nfs/dbraw/zinc/62/34/09/774623409.db2.gz XGXJJBYKGVJLOW-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771362 774911272 /nfs/dbraw/zinc/91/12/72/774911272.db2.gz QBISHRAFAYUZEQ-ZNMIVQPWSA-N 2 1 307.438 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980014 775375369 /nfs/dbraw/zinc/37/53/69/775375369.db2.gz MZAMFLKERGGGFV-YJNKXOJESA-N 2 1 322.453 0.350 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980014 775375381 /nfs/dbraw/zinc/37/53/81/775375381.db2.gz MZAMFLKERGGGFV-YJNKXOJESA-N 2 1 322.453 0.350 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](OC)C1CCC1 ZINC001317597234 945099112 /nfs/dbraw/zinc/09/91/12/945099112.db2.gz TTZXBQZQRYVWLG-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](OC)C1CCC1 ZINC001317597234 945099118 /nfs/dbraw/zinc/09/91/18/945099118.db2.gz TTZXBQZQRYVWLG-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266251840 939026825 /nfs/dbraw/zinc/02/68/25/939026825.db2.gz HJRKNWXJLGJRMH-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266251840 939026828 /nfs/dbraw/zinc/02/68/28/939026828.db2.gz HJRKNWXJLGJRMH-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251840 939026831 /nfs/dbraw/zinc/02/68/31/939026831.db2.gz HJRKNWXJLGJRMH-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251840 939026834 /nfs/dbraw/zinc/02/68/34/939026834.db2.gz HJRKNWXJLGJRMH-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266546334 939158770 /nfs/dbraw/zinc/15/87/70/939158770.db2.gz TXJXWOYHQOCYBN-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266546334 939158773 /nfs/dbraw/zinc/15/87/73/939158773.db2.gz TXJXWOYHQOCYBN-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266546334 939158775 /nfs/dbraw/zinc/15/87/75/939158775.db2.gz TXJXWOYHQOCYBN-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266822529 939246285 /nfs/dbraw/zinc/24/62/85/939246285.db2.gz ACJLNMLLHFUTRU-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266867769 939260461 /nfs/dbraw/zinc/26/04/61/939260461.db2.gz PJQPFJCEDRNUFJ-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266867768 939260468 /nfs/dbraw/zinc/26/04/68/939260468.db2.gz PJQPFJCEDRNUFJ-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001267148534 939358791 /nfs/dbraw/zinc/35/87/91/939358791.db2.gz LDNKHYHZSBZZCF-KGLIPLIRSA-N 2 1 306.410 0.723 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001267148535 939359176 /nfs/dbraw/zinc/35/91/76/939359176.db2.gz LDNKHYHZSBZZCF-UONOGXRCSA-N 2 1 306.410 0.723 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnc(C)nc1 ZINC001267386883 939444829 /nfs/dbraw/zinc/44/48/29/939444829.db2.gz XXJHLQZKACNEMI-INIZCTEOSA-N 2 1 315.421 0.431 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnc(C)nc1 ZINC001267386883 939444831 /nfs/dbraw/zinc/44/48/31/939444831.db2.gz XXJHLQZKACNEMI-INIZCTEOSA-N 2 1 315.421 0.431 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001267429055 939454220 /nfs/dbraw/zinc/45/42/20/939454220.db2.gz MHURLDJNHQWDSZ-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267481817 939473912 /nfs/dbraw/zinc/47/39/12/939473912.db2.gz LTBWVICOLHVRSD-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267481817 939473913 /nfs/dbraw/zinc/47/39/13/939473913.db2.gz LTBWVICOLHVRSD-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267560612 939500711 /nfs/dbraw/zinc/50/07/11/939500711.db2.gz BCZWGTMBADFMHW-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267560612 939500713 /nfs/dbraw/zinc/50/07/13/939500713.db2.gz BCZWGTMBADFMHW-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267560612 939500715 /nfs/dbraw/zinc/50/07/15/939500715.db2.gz BCZWGTMBADFMHW-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001481440427 939792843 /nfs/dbraw/zinc/79/28/43/939792843.db2.gz ZJJZYHHYXIHEJN-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001481461593 939875252 /nfs/dbraw/zinc/87/52/52/939875252.db2.gz FKWPEVGKWTUTFG-HNNXBMFYSA-N 2 1 307.438 0.152 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001481470925 939885536 /nfs/dbraw/zinc/88/55/36/939885536.db2.gz KGPFVOGUAZAFLD-KRWDZBQOSA-N 2 1 322.497 0.816 20 30 DCEDMP C=CCCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001481473772 939887716 /nfs/dbraw/zinc/88/77/16/939887716.db2.gz HGPXVRLBIIYAQY-KRWDZBQOSA-N 2 1 322.497 0.980 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001481941317 940190742 /nfs/dbraw/zinc/19/07/42/940190742.db2.gz QWBUUKBXIPMRMG-MAUKXSAKSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273143058 945316633 /nfs/dbraw/zinc/31/66/33/945316633.db2.gz ALIHTUYBROSSBU-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001273143058 945316641 /nfs/dbraw/zinc/31/66/41/945316641.db2.gz ALIHTUYBROSSBU-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001273143058 945316648 /nfs/dbraw/zinc/31/66/48/945316648.db2.gz ALIHTUYBROSSBU-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001273143058 945316657 /nfs/dbraw/zinc/31/66/57/945316657.db2.gz ALIHTUYBROSSBU-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273145355 945327726 /nfs/dbraw/zinc/32/77/26/945327726.db2.gz WJWKWVUXBDMNGC-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273145355 945327737 /nfs/dbraw/zinc/32/77/37/945327737.db2.gz WJWKWVUXBDMNGC-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273145355 945327747 /nfs/dbraw/zinc/32/77/47/945327747.db2.gz WJWKWVUXBDMNGC-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001284519524 940716069 /nfs/dbraw/zinc/71/60/69/940716069.db2.gz KCDCMVCHHDWHBD-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269718821 940763155 /nfs/dbraw/zinc/76/31/55/940763155.db2.gz DRZJDLTVXVVFGQ-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001269718821 940763156 /nfs/dbraw/zinc/76/31/56/940763156.db2.gz DRZJDLTVXVVFGQ-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001269718821 940763158 /nfs/dbraw/zinc/76/31/58/940763158.db2.gz DRZJDLTVXVVFGQ-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001270065909 940828087 /nfs/dbraw/zinc/82/80/87/940828087.db2.gz AKQMSNANRSOREJ-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001270187555 940852246 /nfs/dbraw/zinc/85/22/46/940852246.db2.gz JDNNTWZCDXGRRE-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001270387330 940891724 /nfs/dbraw/zinc/89/17/24/940891724.db2.gz KBKQMUQWWKLAJK-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001270387330 940891726 /nfs/dbraw/zinc/89/17/26/940891726.db2.gz KBKQMUQWWKLAJK-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001270814971 941000189 /nfs/dbraw/zinc/00/01/89/941000189.db2.gz UVZNRPRHTXZZPF-SFHVURJKSA-N 2 1 321.465 0.950 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC#CCOC ZINC001505452659 941481480 /nfs/dbraw/zinc/48/14/80/941481480.db2.gz LJWJDDMFQQGDJF-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC#CCOC ZINC001505452659 941481481 /nfs/dbraw/zinc/48/14/81/941481481.db2.gz LJWJDDMFQQGDJF-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC#CCOC ZINC001505452659 941481484 /nfs/dbraw/zinc/48/14/84/941481484.db2.gz LJWJDDMFQQGDJF-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001271933039 941483500 /nfs/dbraw/zinc/48/35/00/941483500.db2.gz ZXLKJEWVRRPOJC-HNNXBMFYSA-N 2 1 308.470 0.684 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001483257567 942211982 /nfs/dbraw/zinc/21/19/82/942211982.db2.gz FARNXHXUONKHSO-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1=CCCCC1 ZINC001272444481 942757170 /nfs/dbraw/zinc/75/71/70/942757170.db2.gz UNFDEYBHFLQLHC-SJORKVTESA-N 2 1 319.449 0.651 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1=CCCCC1 ZINC001272444481 942757172 /nfs/dbraw/zinc/75/71/72/942757172.db2.gz UNFDEYBHFLQLHC-SJORKVTESA-N 2 1 319.449 0.651 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCO)C1CCCC1 ZINC001484000429 943078789 /nfs/dbraw/zinc/07/87/89/943078789.db2.gz FURGXSOZPCARRW-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCO)C1CCCC1 ZINC001484000429 943078796 /nfs/dbraw/zinc/07/87/96/943078796.db2.gz FURGXSOZPCARRW-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001484059828 943122216 /nfs/dbraw/zinc/12/22/16/943122216.db2.gz ZZFPUKWJSDWRDL-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001484059828 943122219 /nfs/dbraw/zinc/12/22/19/943122219.db2.gz ZZFPUKWJSDWRDL-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484063070 943128206 /nfs/dbraw/zinc/12/82/06/943128206.db2.gz OBAPSSTZQKJHRC-QGZVFWFLSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001484222102 943216924 /nfs/dbraw/zinc/21/69/24/943216924.db2.gz BCEWXLKQDYHEGG-WMLDXEAASA-N 2 1 316.405 0.022 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484234171 943235229 /nfs/dbraw/zinc/23/52/29/943235229.db2.gz SQNIPOXTAGJCPB-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001484459866 943404627 /nfs/dbraw/zinc/40/46/27/943404627.db2.gz YYSXAPRVUITJTE-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484459866 943404630 /nfs/dbraw/zinc/40/46/30/943404630.db2.gz YYSXAPRVUITJTE-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001484459866 943404633 /nfs/dbraw/zinc/40/46/33/943404633.db2.gz YYSXAPRVUITJTE-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485077076 943684735 /nfs/dbraw/zinc/68/47/35/943684735.db2.gz QSJDAJUGWBUVEX-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485077076 943684743 /nfs/dbraw/zinc/68/47/43/943684743.db2.gz QSJDAJUGWBUVEX-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491110122 943763546 /nfs/dbraw/zinc/76/35/46/943763546.db2.gz FEBVRZSFQVRVMN-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491110122 943763547 /nfs/dbraw/zinc/76/35/47/943763547.db2.gz FEBVRZSFQVRVMN-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001491110122 943763550 /nfs/dbraw/zinc/76/35/50/943763550.db2.gz FEBVRZSFQVRVMN-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001485516618 943978460 /nfs/dbraw/zinc/97/84/60/943978460.db2.gz QXLNTYVBYRBAQO-CQSZACIVSA-N 2 1 306.410 0.831 20 30 DCEDMP COCC#CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586231 944224857 /nfs/dbraw/zinc/22/48/57/944224857.db2.gz FMIMNROOVMSGOQ-BZUAXINKSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586231 944224862 /nfs/dbraw/zinc/22/48/62/944224862.db2.gz FMIMNROOVMSGOQ-BZUAXINKSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586231 944224869 /nfs/dbraw/zinc/22/48/69/944224869.db2.gz FMIMNROOVMSGOQ-BZUAXINKSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586231 944224873 /nfs/dbraw/zinc/22/48/73/944224873.db2.gz FMIMNROOVMSGOQ-BZUAXINKSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586231 944224875 /nfs/dbraw/zinc/22/48/75/944224875.db2.gz FMIMNROOVMSGOQ-BZUAXINKSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887783 944300023 /nfs/dbraw/zinc/30/00/23/944300023.db2.gz KAWLTRWBLYFZSD-KRWDZBQOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCOC(C)C)C1 ZINC001276995402 944622259 /nfs/dbraw/zinc/62/22/59/944622259.db2.gz FQGCUCOBFISCIY-ULQDDVLXSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCOC(C)C)C1 ZINC001276995402 944622267 /nfs/dbraw/zinc/62/22/67/944622267.db2.gz FQGCUCOBFISCIY-ULQDDVLXSA-N 2 1 321.465 0.993 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316954390 944680548 /nfs/dbraw/zinc/68/05/48/944680548.db2.gz BTRMDXUGMJNRBU-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316954390 944680554 /nfs/dbraw/zinc/68/05/54/944680554.db2.gz BTRMDXUGMJNRBU-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001316962987 944689329 /nfs/dbraw/zinc/68/93/29/944689329.db2.gz IZMBWEHVOJHAAM-HZPDHXFCSA-N 2 1 308.470 0.637 20 30 DCEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001486358459 944819140 /nfs/dbraw/zinc/81/91/40/944819140.db2.gz CHCOOLWSVYQFRV-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001486358459 944819146 /nfs/dbraw/zinc/81/91/46/944819146.db2.gz CHCOOLWSVYQFRV-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001486358459 944819151 /nfs/dbraw/zinc/81/91/51/944819151.db2.gz CHCOOLWSVYQFRV-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001486358459 944819156 /nfs/dbraw/zinc/81/91/56/944819156.db2.gz CHCOOLWSVYQFRV-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001277676653 944939841 /nfs/dbraw/zinc/93/98/41/944939841.db2.gz AHVSBHLQJVTAAN-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001277734789 944961603 /nfs/dbraw/zinc/96/16/03/944961603.db2.gz IACCCWOIRJYRQO-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001277734789 944961610 /nfs/dbraw/zinc/96/16/10/944961610.db2.gz IACCCWOIRJYRQO-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001277734784 944961719 /nfs/dbraw/zinc/96/17/19/944961719.db2.gz IACCCWOIRJYRQO-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001277734784 944961726 /nfs/dbraw/zinc/96/17/26/944961726.db2.gz IACCCWOIRJYRQO-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246311271 945379564 /nfs/dbraw/zinc/37/95/64/945379564.db2.gz LDEMYWLBATXUAC-KBPBESRZSA-N 3 1 311.426 0.324 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001319707588 945651395 /nfs/dbraw/zinc/65/13/95/945651395.db2.gz FTRVMVUYIYAHKI-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001320090834 945738798 /nfs/dbraw/zinc/73/87/98/945738798.db2.gz QBKIRSNZYOVIMO-INIZCTEOSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CCOC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001251884677 945809172 /nfs/dbraw/zinc/80/91/72/945809172.db2.gz DKFXNVBZNGWVGH-SFHVURJKSA-N 2 1 318.417 0.619 20 30 DCEDMP C=CCOC[C@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252466607 945943799 /nfs/dbraw/zinc/94/37/99/945943799.db2.gz QSHJQMAUCPPWBA-CQSZACIVSA-N 2 1 302.415 0.367 20 30 DCEDMP C=CCOC[C@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252466607 945943804 /nfs/dbraw/zinc/94/38/04/945943804.db2.gz QSHJQMAUCPPWBA-CQSZACIVSA-N 2 1 302.415 0.367 20 30 DCEDMP C=CCC[C@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252602508 945970624 /nfs/dbraw/zinc/97/06/24/945970624.db2.gz BTLGYANCAIKNED-INIZCTEOSA-N 2 1 309.454 0.975 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnn(C)c1 ZINC001321097937 946166239 /nfs/dbraw/zinc/16/62/39/946166239.db2.gz RWDCBWLNBWHIHU-APHBUQMISA-N 2 1 315.421 0.280 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnn(C)c1 ZINC001321097937 946166246 /nfs/dbraw/zinc/16/62/46/946166246.db2.gz RWDCBWLNBWHIHU-APHBUQMISA-N 2 1 315.421 0.280 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNCc1nccn1C ZINC001321543656 946371596 /nfs/dbraw/zinc/37/15/96/946371596.db2.gz VWSAFRZRYNGGFF-KGLIPLIRSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC#CCOC)CC1 ZINC001493062738 947333466 /nfs/dbraw/zinc/33/34/66/947333466.db2.gz QPDLQRSZUKDQBF-UHFFFAOYSA-N 2 1 319.449 0.420 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001324342708 947394945 /nfs/dbraw/zinc/39/49/45/947394945.db2.gz JXYNGOJHUNPAGB-UHFFFAOYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001324342708 947394957 /nfs/dbraw/zinc/39/49/57/947394957.db2.gz JXYNGOJHUNPAGB-UHFFFAOYSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001325806438 947929737 /nfs/dbraw/zinc/92/97/37/947929737.db2.gz YKFWZVKNUNUBML-MRXNPFEDSA-N 2 1 320.481 0.522 20 30 DCEDMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001326017134 948019710 /nfs/dbraw/zinc/01/97/10/948019710.db2.gz WLYHSLTVBJZXMU-AWEZNQCLSA-N 2 1 323.441 0.114 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001273729515 948053950 /nfs/dbraw/zinc/05/39/50/948053950.db2.gz UFFDQCRXVKYGGC-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001273729515 948053958 /nfs/dbraw/zinc/05/39/58/948053958.db2.gz UFFDQCRXVKYGGC-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001327563742 948552131 /nfs/dbraw/zinc/55/21/31/948552131.db2.gz NFGZGKMIHFJKFT-JZXOWHBKSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001328172915 948730788 /nfs/dbraw/zinc/73/07/88/948730788.db2.gz WWHKYINKRXXTLS-MRXNPFEDSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001264008351 948828331 /nfs/dbraw/zinc/82/83/31/948828331.db2.gz MHWMOYVSEMOVAH-IKGGRYGDSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001488880125 949346746 /nfs/dbraw/zinc/34/67/46/949346746.db2.gz MLQPYAHHGYRDMS-DSPLQEQRSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C[C@H](C)O)C1CC1 ZINC001265164544 949397703 /nfs/dbraw/zinc/39/77/03/949397703.db2.gz LVTCRCGWRLGNCJ-HOCLYGCPSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C[C@H](C)O)C1CC1 ZINC001265164544 949397721 /nfs/dbraw/zinc/39/77/21/949397721.db2.gz LVTCRCGWRLGNCJ-HOCLYGCPSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C[C@H](C)O)C1CC1 ZINC001265164544 949397742 /nfs/dbraw/zinc/39/77/42/949397742.db2.gz LVTCRCGWRLGNCJ-HOCLYGCPSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C[C@H](C)O)C1CC1 ZINC001265164544 949397763 /nfs/dbraw/zinc/39/77/63/949397763.db2.gz LVTCRCGWRLGNCJ-HOCLYGCPSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCOCC)C2)CC1 ZINC001265235457 949479069 /nfs/dbraw/zinc/47/90/69/949479069.db2.gz PSXITCAIIJQFOA-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265290180 949557128 /nfs/dbraw/zinc/55/71/28/949557128.db2.gz KYWSOKADKAYLEC-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265290180 949557142 /nfs/dbraw/zinc/55/71/42/949557142.db2.gz KYWSOKADKAYLEC-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001329514618 949650582 /nfs/dbraw/zinc/65/05/82/949650582.db2.gz FREBJLFATYSASV-GDBMZVCRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN(C)[C@H](C)CNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001329514618 949650593 /nfs/dbraw/zinc/65/05/93/949650593.db2.gz FREBJLFATYSASV-GDBMZVCRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCOC)C1 ZINC001265391169 949656120 /nfs/dbraw/zinc/65/61/20/949656120.db2.gz VBGROPCCKBSMLT-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCOC)C1 ZINC001265391169 949656133 /nfs/dbraw/zinc/65/61/33/949656133.db2.gz VBGROPCCKBSMLT-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCOC)C1 ZINC001265391169 949656145 /nfs/dbraw/zinc/65/61/45/949656145.db2.gz VBGROPCCKBSMLT-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCOC)C1 ZINC001265391169 949656152 /nfs/dbraw/zinc/65/61/52/949656152.db2.gz VBGROPCCKBSMLT-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001329532880 949664781 /nfs/dbraw/zinc/66/47/81/949664781.db2.gz RVCMANGWPBKGAG-CYBMUJFWSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001329532880 949664790 /nfs/dbraw/zinc/66/47/90/949664790.db2.gz RVCMANGWPBKGAG-CYBMUJFWSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490280508 950498066 /nfs/dbraw/zinc/49/80/66/950498066.db2.gz ZYQKHSOOZYMXEZ-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001490280508 950498073 /nfs/dbraw/zinc/49/80/73/950498073.db2.gz ZYQKHSOOZYMXEZ-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001490280508 950498078 /nfs/dbraw/zinc/49/80/78/950498078.db2.gz ZYQKHSOOZYMXEZ-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001279281385 950535407 /nfs/dbraw/zinc/53/54/07/950535407.db2.gz HPOHMHAPRPKZDN-QAQDUYKDSA-N 2 1 321.465 0.854 20 30 DCEDMP C#CCN1CCN(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001490494608 950746182 /nfs/dbraw/zinc/74/61/82/950746182.db2.gz LGXWOVPELYXEDL-SJORKVTESA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001490494608 950746190 /nfs/dbraw/zinc/74/61/90/950746190.db2.gz LGXWOVPELYXEDL-SJORKVTESA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001490494608 950746209 /nfs/dbraw/zinc/74/62/09/950746209.db2.gz LGXWOVPELYXEDL-SJORKVTESA-N 2 1 318.465 0.370 20 30 DCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001331786963 951319207 /nfs/dbraw/zinc/31/92/07/951319207.db2.gz FGWPZOZAZWLUQQ-ZDUSSCGKSA-N 2 1 322.409 0.527 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001332677760 951759123 /nfs/dbraw/zinc/75/91/23/951759123.db2.gz UJOSBBHYBUTBRA-DLBZAZTESA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001274941239 951897035 /nfs/dbraw/zinc/89/70/35/951897035.db2.gz KSCJTQSXXOUXTL-IYBDPMFKSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCn1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cn1 ZINC001275381155 952102960 /nfs/dbraw/zinc/10/29/60/952102960.db2.gz JVSGRGARWTWORW-CALCHBBNSA-N 2 1 319.453 0.516 20 30 DCEDMP C=CCn1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cn1 ZINC001275381155 952102964 /nfs/dbraw/zinc/10/29/64/952102964.db2.gz JVSGRGARWTWORW-CALCHBBNSA-N 2 1 319.453 0.516 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001490828994 953056738 /nfs/dbraw/zinc/05/67/38/953056738.db2.gz LQSSEZBHQGFSLJ-JYJNAYRXSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001490828994 953056740 /nfs/dbraw/zinc/05/67/40/953056740.db2.gz LQSSEZBHQGFSLJ-JYJNAYRXSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001340114141 953146439 /nfs/dbraw/zinc/14/64/39/953146439.db2.gz TYROBPYERKPLLD-UHFFFAOYSA-N 2 1 314.433 0.985 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001340221401 953154934 /nfs/dbraw/zinc/15/49/34/953154934.db2.gz DDZIWCVPACEDPB-HOCLYGCPSA-N 2 1 308.470 0.955 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001340221401 953154937 /nfs/dbraw/zinc/15/49/37/953154937.db2.gz DDZIWCVPACEDPB-HOCLYGCPSA-N 2 1 308.470 0.955 20 30 DCEDMP C=CC[C@@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CCC[NH2+]1 ZINC001343591530 953356249 /nfs/dbraw/zinc/35/62/49/953356249.db2.gz GLMWWBOZKQCSSB-UAGQMJEPSA-N 2 1 323.437 0.027 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001480324458 955685434 /nfs/dbraw/zinc/68/54/34/955685434.db2.gz PHIVDWWGKASQPW-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001480324458 955685447 /nfs/dbraw/zinc/68/54/47/955685447.db2.gz PHIVDWWGKASQPW-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCc1ccnn1C ZINC001492292806 959855484 /nfs/dbraw/zinc/85/54/84/959855484.db2.gz KVRKYFQFFVRQGU-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCc1ccnn1C ZINC001492292806 959855497 /nfs/dbraw/zinc/85/54/97/959855497.db2.gz KVRKYFQFFVRQGU-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCc1ccnn1C ZINC001492292806 959855501 /nfs/dbraw/zinc/85/55/01/959855501.db2.gz KVRKYFQFFVRQGU-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCc1ccnn1C ZINC001492292806 959855510 /nfs/dbraw/zinc/85/55/10/959855510.db2.gz KVRKYFQFFVRQGU-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001492405698 959929396 /nfs/dbraw/zinc/92/93/96/959929396.db2.gz SICNPIPIYPHVSM-HUUCEWRRSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001492405698 959929405 /nfs/dbraw/zinc/92/94/05/959929405.db2.gz SICNPIPIYPHVSM-HUUCEWRRSA-N 2 1 324.469 0.408 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC#CCOC ZINC001316740390 960127953 /nfs/dbraw/zinc/12/79/53/960127953.db2.gz IUKULVFZYLHRCF-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC#CCOC ZINC001316740390 960127959 /nfs/dbraw/zinc/12/79/59/960127959.db2.gz IUKULVFZYLHRCF-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC#CCOC ZINC001316740390 960127965 /nfs/dbraw/zinc/12/79/65/960127965.db2.gz IUKULVFZYLHRCF-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317464123 960130799 /nfs/dbraw/zinc/13/07/99/960130799.db2.gz RQNIFZNTXLKYDM-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317464123 960130802 /nfs/dbraw/zinc/13/08/02/960130802.db2.gz RQNIFZNTXLKYDM-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001363251625 960701947 /nfs/dbraw/zinc/70/19/47/960701947.db2.gz ZDMSTJZDETYOBW-UHFFFAOYSA-N 2 1 315.421 0.843 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379884119 962212129 /nfs/dbraw/zinc/21/21/29/962212129.db2.gz XKXOPMFTGOGMKY-OLZOCXBDSA-N 2 1 303.834 0.490 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001380550713 963348120 /nfs/dbraw/zinc/34/81/20/963348120.db2.gz IASAJUFHAYXZCK-HIFRSBDPSA-N 2 1 317.861 0.878 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001380550713 963348134 /nfs/dbraw/zinc/34/81/34/963348134.db2.gz IASAJUFHAYXZCK-HIFRSBDPSA-N 2 1 317.861 0.878 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001492816584 992545466 /nfs/dbraw/zinc/54/54/66/992545466.db2.gz IPPHDQRKFKXQHM-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001492816584 992545475 /nfs/dbraw/zinc/54/54/75/992545475.db2.gz IPPHDQRKFKXQHM-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001492816584 992545481 /nfs/dbraw/zinc/54/54/81/992545481.db2.gz IPPHDQRKFKXQHM-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001492816584 992545490 /nfs/dbraw/zinc/54/54/90/992545490.db2.gz IPPHDQRKFKXQHM-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001502516011 1015950360 /nfs/dbraw/zinc/95/03/60/1015950360.db2.gz WTBOFHGVQZYVPY-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001502516011 1015950368 /nfs/dbraw/zinc/95/03/68/1015950368.db2.gz WTBOFHGVQZYVPY-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001502567593 1015974093 /nfs/dbraw/zinc/97/40/93/1015974093.db2.gz HPHPZCKJPGTANH-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC001471631549 1016612470 /nfs/dbraw/zinc/61/24/70/1016612470.db2.gz ZQZNMYHCSMZFBY-GASCZTMLSA-N 2 1 310.442 0.302 20 30 DCEDMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC001471631549 1016612472 /nfs/dbraw/zinc/61/24/72/1016612472.db2.gz ZQZNMYHCSMZFBY-GASCZTMLSA-N 2 1 310.442 0.302 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001420774450 1002937973 /nfs/dbraw/zinc/93/79/73/1002937973.db2.gz FECHCTWPFWDZPO-AWEZNQCLSA-N 2 1 315.845 0.946 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001492974302 1005062204 /nfs/dbraw/zinc/06/22/04/1005062204.db2.gz OKGOCGACLOHYFQ-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccnn1C ZINC001497210195 1017969711 /nfs/dbraw/zinc/96/97/11/1017969711.db2.gz ZFXUDEZIDNHTBC-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccnn1C ZINC001497210195 1017969720 /nfs/dbraw/zinc/96/97/20/1017969720.db2.gz ZFXUDEZIDNHTBC-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001499620507 1018002645 /nfs/dbraw/zinc/00/26/45/1018002645.db2.gz XDTLJRUKNNLZCC-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001499620507 1018002658 /nfs/dbraw/zinc/00/26/58/1018002658.db2.gz XDTLJRUKNNLZCC-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001499620507 1018002673 /nfs/dbraw/zinc/00/26/73/1018002673.db2.gz XDTLJRUKNNLZCC-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001479942236 1018014742 /nfs/dbraw/zinc/01/47/42/1018014742.db2.gz NDEOAQCOAXCOEA-HZPDHXFCSA-N 2 1 306.454 0.226 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001479967860 1018070141 /nfs/dbraw/zinc/07/01/41/1018070141.db2.gz OMGOZCIHAJVDCV-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001479967860 1018070151 /nfs/dbraw/zinc/07/01/51/1018070151.db2.gz OMGOZCIHAJVDCV-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001479967860 1018070162 /nfs/dbraw/zinc/07/01/62/1018070162.db2.gz OMGOZCIHAJVDCV-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001479967860 1018070173 /nfs/dbraw/zinc/07/01/73/1018070173.db2.gz OMGOZCIHAJVDCV-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001479971136 1018075271 /nfs/dbraw/zinc/07/52/71/1018075271.db2.gz IHUNBMURFKPUHR-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001479971136 1018075286 /nfs/dbraw/zinc/07/52/86/1018075286.db2.gz IHUNBMURFKPUHR-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001479971136 1018075299 /nfs/dbraw/zinc/07/52/99/1018075299.db2.gz IHUNBMURFKPUHR-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001479971136 1018075314 /nfs/dbraw/zinc/07/53/14/1018075314.db2.gz IHUNBMURFKPUHR-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001500418324 1018444642 /nfs/dbraw/zinc/44/46/42/1018444642.db2.gz TYCXVTTXTKMRNR-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001500418324 1018444647 /nfs/dbraw/zinc/44/46/47/1018444647.db2.gz TYCXVTTXTKMRNR-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388431 1018485852 /nfs/dbraw/zinc/48/58/52/1018485852.db2.gz XSXQUBHGJSNYOZ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001500700298 1018591576 /nfs/dbraw/zinc/59/15/76/1018591576.db2.gz ATHVRYTUSGTTNR-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001500700298 1018591583 /nfs/dbraw/zinc/59/15/83/1018591583.db2.gz ATHVRYTUSGTTNR-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001500982730 1018782623 /nfs/dbraw/zinc/78/26/23/1018782623.db2.gz VLLUJFXNPHTALU-UHFFFAOYSA-N 2 1 309.454 0.992 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001480709919 1018794560 /nfs/dbraw/zinc/79/45/60/1018794560.db2.gz TZCAVTVTADHORM-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001498306486 1018927989 /nfs/dbraw/zinc/92/79/89/1018927989.db2.gz QMDOYOVBTJKNRM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498306486 1018928002 /nfs/dbraw/zinc/92/80/02/1018928002.db2.gz QMDOYOVBTJKNRM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001498306486 1018928008 /nfs/dbraw/zinc/92/80/08/1018928008.db2.gz QMDOYOVBTJKNRM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001501307599 1019032717 /nfs/dbraw/zinc/03/27/17/1019032717.db2.gz KXLZTSDJMSMSLN-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001501307599 1019032731 /nfs/dbraw/zinc/03/27/31/1019032731.db2.gz KXLZTSDJMSMSLN-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001501307599 1019032747 /nfs/dbraw/zinc/03/27/47/1019032747.db2.gz KXLZTSDJMSMSLN-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001501307599 1019032759 /nfs/dbraw/zinc/03/27/59/1019032759.db2.gz KXLZTSDJMSMSLN-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001494066470 1019958957 /nfs/dbraw/zinc/95/89/57/1019958957.db2.gz LRUFTKXIAZJRPQ-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP CCNC(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000066245384 396004349 /nfs/dbraw/zinc/00/43/49/396004349.db2.gz RHHTUSNNVSKAMY-INIZCTEOSA-N 2 1 304.438 0.981 20 30 DCEDMP N#CC[C@@]1(O)CC[NH+](CCCCC[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150792 397107376 /nfs/dbraw/zinc/10/73/76/397107376.db2.gz GPLXUEXPUVMDKW-IAGOWNOFSA-N 2 1 320.437 0.858 20 30 DCEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598595237 397253234 /nfs/dbraw/zinc/25/32/34/397253234.db2.gz HFNSAOBPCHRIGM-JKSUJKDBSA-N 2 1 308.470 0.999 20 30 DCEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000491120724 397500171 /nfs/dbraw/zinc/50/01/71/397500171.db2.gz NARYLHXTTJFTIS-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343734767 415701527 /nfs/dbraw/zinc/70/15/27/415701527.db2.gz DXPSYLFGVIOXNR-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000329274227 416159234 /nfs/dbraw/zinc/15/92/34/416159234.db2.gz BBCFTZIJKAVBGP-CYBMUJFWSA-N 2 1 310.442 0.597 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000491417048 416599136 /nfs/dbraw/zinc/59/91/36/416599136.db2.gz MKTCCDBDWMDUBN-UHFFFAOYSA-N 2 1 315.425 0.078 20 30 DCEDMP COCC[N@H+](C)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000569437779 417251899 /nfs/dbraw/zinc/25/18/99/417251899.db2.gz OKBSRSLWKPKVOY-UHFFFAOYSA-N 2 1 302.382 0.659 20 30 DCEDMP COCC[N@@H+](C)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000569437779 417251905 /nfs/dbraw/zinc/25/19/05/417251905.db2.gz OKBSRSLWKPKVOY-UHFFFAOYSA-N 2 1 302.382 0.659 20 30 DCEDMP C=CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662737466 417879879 /nfs/dbraw/zinc/87/98/79/417879879.db2.gz ZOVXPSZDLHLHEU-YJBOKZPZSA-N 3 1 320.481 0.969 20 30 DCEDMP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662737466 417879884 /nfs/dbraw/zinc/87/98/84/417879884.db2.gz ZOVXPSZDLHLHEU-YJBOKZPZSA-N 3 1 320.481 0.969 20 30 DCEDMP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001656784548 1173885117 /nfs/dbraw/zinc/88/51/17/1173885117.db2.gz SQILACRHBGXJDA-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001570215999 1159210283 /nfs/dbraw/zinc/21/02/83/1159210283.db2.gz RCHKXEXJTDJVBQ-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000106402487 337817837 /nfs/dbraw/zinc/81/78/37/337817837.db2.gz SMUHMJPUJWCUCI-UHFFFAOYSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001566036263 1159952288 /nfs/dbraw/zinc/95/22/88/1159952288.db2.gz XMYRZSGXXGQKFP-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001566036263 1159952293 /nfs/dbraw/zinc/95/22/93/1159952293.db2.gz XMYRZSGXXGQKFP-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001566036263 1159952299 /nfs/dbraw/zinc/95/22/99/1159952299.db2.gz XMYRZSGXXGQKFP-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566554392 1160056093 /nfs/dbraw/zinc/05/60/93/1160056093.db2.gz DGMCBPSEWVVROK-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001566554392 1160056103 /nfs/dbraw/zinc/05/61/03/1160056103.db2.gz DGMCBPSEWVVROK-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001566554392 1160056113 /nfs/dbraw/zinc/05/61/13/1160056113.db2.gz DGMCBPSEWVVROK-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001566554390 1160057625 /nfs/dbraw/zinc/05/76/25/1160057625.db2.gz DGMCBPSEWVVROK-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001566554390 1160057634 /nfs/dbraw/zinc/05/76/34/1160057634.db2.gz DGMCBPSEWVVROK-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001566554390 1160057643 /nfs/dbraw/zinc/05/76/43/1160057643.db2.gz DGMCBPSEWVVROK-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261995995 526366393 /nfs/dbraw/zinc/36/63/93/526366393.db2.gz SKZDERQQXQVDES-DZGCQCFKSA-N 2 1 304.442 0.839 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261972099 526382204 /nfs/dbraw/zinc/38/22/04/526382204.db2.gz NATOWGWORULOOB-GWCFXTLKSA-N 2 1 319.409 0.526 20 30 DCEDMP C[NH+]=C(NCc1cccn1C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262763455 526384976 /nfs/dbraw/zinc/38/49/76/526384976.db2.gz FEACTAKIVATXDQ-OAHLLOKOSA-N 2 1 319.453 0.755 20 30 DCEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000262416182 526396355 /nfs/dbraw/zinc/39/63/55/526396355.db2.gz QDYKRPZKVQGOQR-LXTVHRRPSA-N 2 1 324.469 0.686 20 30 DCEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000262416182 526396357 /nfs/dbraw/zinc/39/63/57/526396357.db2.gz QDYKRPZKVQGOQR-LXTVHRRPSA-N 2 1 324.469 0.686 20 30 DCEDMP CCN(CC)C(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264064861 527982578 /nfs/dbraw/zinc/98/25/78/527982578.db2.gz ASOLEEOTYLOSLB-UHFFFAOYSA-N 2 1 304.442 0.990 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)n(C)c1=O ZINC000262804202 529100231 /nfs/dbraw/zinc/10/02/31/529100231.db2.gz RRZXNJMFMVPGFN-AWEZNQCLSA-N 2 1 305.426 0.582 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000264078886 529101238 /nfs/dbraw/zinc/10/12/38/529101238.db2.gz GTOPIFCCKIFQFD-AWEZNQCLSA-N 2 1 303.410 0.674 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCOC)CC2(C)C)CC1 ZINC000977660665 660412929 /nfs/dbraw/zinc/41/29/29/660412929.db2.gz ZSDMHTUBNLTLBH-INIZCTEOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027634710 660559749 /nfs/dbraw/zinc/55/97/49/660559749.db2.gz OAUXBCFTLRRJJI-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000981963090 661258962 /nfs/dbraw/zinc/25/89/62/661258962.db2.gz ICGFTYUWUJXAKH-INIZCTEOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001022221014 657567689 /nfs/dbraw/zinc/56/76/89/657567689.db2.gz VKSYAFOYMVOZBH-LZWOXQAQSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001022221014 657567690 /nfs/dbraw/zinc/56/76/90/657567690.db2.gz VKSYAFOYMVOZBH-LZWOXQAQSA-N 2 1 316.405 0.817 20 30 DCEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972553041 657764215 /nfs/dbraw/zinc/76/42/15/657764215.db2.gz XVCYOAZPPISLDA-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001023448946 657876164 /nfs/dbraw/zinc/87/61/64/657876164.db2.gz BVYCIYAFGNAYOD-LSDHHAIUSA-N 2 1 300.406 0.907 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022452511 657935375 /nfs/dbraw/zinc/93/53/75/657935375.db2.gz NEXHUVLRQGTLMQ-WCCAFZKYSA-N 2 1 305.422 0.663 20 30 DCEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640870 658142882 /nfs/dbraw/zinc/14/28/82/658142882.db2.gz NMWJAUVISQLVPN-GOSISDBHSA-N 2 1 319.449 0.962 20 30 DCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001024444248 658625145 /nfs/dbraw/zinc/62/51/45/658625145.db2.gz YAALMNONFRVTJS-HNNXBMFYSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001024444248 658625150 /nfs/dbraw/zinc/62/51/50/658625150.db2.gz YAALMNONFRVTJS-HNNXBMFYSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000949526468 658729714 /nfs/dbraw/zinc/72/97/14/658729714.db2.gz VSPUYHWFCMAHHQ-UHFFFAOYSA-N 2 1 319.449 0.799 20 30 DCEDMP C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437413 658769053 /nfs/dbraw/zinc/76/90/53/658769053.db2.gz KBNBIPROOHMQJQ-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437413 658769057 /nfs/dbraw/zinc/76/90/57/658769057.db2.gz KBNBIPROOHMQJQ-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437413 658769061 /nfs/dbraw/zinc/76/90/61/658769061.db2.gz KBNBIPROOHMQJQ-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972437413 658769070 /nfs/dbraw/zinc/76/90/70/658769070.db2.gz KBNBIPROOHMQJQ-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000328015212 659425939 /nfs/dbraw/zinc/42/59/39/659425939.db2.gz QZVVOOPQQGAQGZ-MRXNPFEDSA-N 2 1 301.390 0.843 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000328015212 659425943 /nfs/dbraw/zinc/42/59/43/659425943.db2.gz QZVVOOPQQGAQGZ-MRXNPFEDSA-N 2 1 301.390 0.843 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798622 659565898 /nfs/dbraw/zinc/56/58/98/659565898.db2.gz ATDLJUXFLGAFNF-ARKGTOAJSA-N 2 1 305.422 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798622 659565901 /nfs/dbraw/zinc/56/59/01/659565901.db2.gz ATDLJUXFLGAFNF-ARKGTOAJSA-N 2 1 305.422 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798622 659565903 /nfs/dbraw/zinc/56/59/03/659565903.db2.gz ATDLJUXFLGAFNF-ARKGTOAJSA-N 2 1 305.422 0.472 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536639 665789171 /nfs/dbraw/zinc/78/91/71/665789171.db2.gz SBBMVSDRIXKJAE-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536639 665789173 /nfs/dbraw/zinc/78/91/73/665789173.db2.gz SBBMVSDRIXKJAE-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536639 665789175 /nfs/dbraw/zinc/78/91/75/665789175.db2.gz SBBMVSDRIXKJAE-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536639 665789177 /nfs/dbraw/zinc/78/91/77/665789177.db2.gz SBBMVSDRIXKJAE-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536639 665789180 /nfs/dbraw/zinc/78/91/80/665789180.db2.gz SBBMVSDRIXKJAE-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698172 661764718 /nfs/dbraw/zinc/76/47/18/661764718.db2.gz BRRSNNHESLTZJW-CTMQZQKCSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001029004390 661930627 /nfs/dbraw/zinc/93/06/27/661930627.db2.gz WAUHRHZBKBCMJS-INIZCTEOSA-N 2 1 301.434 0.793 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000985599833 662490679 /nfs/dbraw/zinc/49/06/79/662490679.db2.gz DITGLSPZQYRLHR-INIZCTEOSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000985599833 662490680 /nfs/dbraw/zinc/49/06/80/662490680.db2.gz DITGLSPZQYRLHR-INIZCTEOSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985599833 662490681 /nfs/dbraw/zinc/49/06/81/662490681.db2.gz DITGLSPZQYRLHR-INIZCTEOSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985599833 662490683 /nfs/dbraw/zinc/49/06/83/662490683.db2.gz DITGLSPZQYRLHR-INIZCTEOSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000986569462 662600659 /nfs/dbraw/zinc/60/06/59/662600659.db2.gz LRRWXIZFZWKZGE-ZIAGYGMSSA-N 2 1 300.406 0.974 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@@H](C)COC)CC2)CC1 ZINC000989735323 662974596 /nfs/dbraw/zinc/97/45/96/662974596.db2.gz YBSYHJRIFHNCPD-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000715594 665920629 /nfs/dbraw/zinc/92/06/29/665920629.db2.gz SUXSPAKQDLILKP-HZPDHXFCSA-N 2 1 303.406 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715594 665920631 /nfs/dbraw/zinc/92/06/31/665920631.db2.gz SUXSPAKQDLILKP-HZPDHXFCSA-N 2 1 303.406 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715594 665920634 /nfs/dbraw/zinc/92/06/34/665920634.db2.gz SUXSPAKQDLILKP-HZPDHXFCSA-N 2 1 303.406 0.231 20 30 DCEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000837067 665942102 /nfs/dbraw/zinc/94/21/02/665942102.db2.gz KULUOMTVTOGMST-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000837067 665942105 /nfs/dbraw/zinc/94/21/05/665942105.db2.gz KULUOMTVTOGMST-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000837067 665942107 /nfs/dbraw/zinc/94/21/07/665942107.db2.gz KULUOMTVTOGMST-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000837067 665942109 /nfs/dbraw/zinc/94/21/09/665942109.db2.gz KULUOMTVTOGMST-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000836148 665942146 /nfs/dbraw/zinc/94/21/46/665942146.db2.gz DWCIVKJVGRZAHG-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000836148 665942148 /nfs/dbraw/zinc/94/21/48/665942148.db2.gz DWCIVKJVGRZAHG-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000836148 665942150 /nfs/dbraw/zinc/94/21/50/665942150.db2.gz DWCIVKJVGRZAHG-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000836148 665942151 /nfs/dbraw/zinc/94/21/51/665942151.db2.gz DWCIVKJVGRZAHG-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000900513551 663251736 /nfs/dbraw/zinc/25/17/36/663251736.db2.gz ZPQOSUXXCCORDX-AWEZNQCLSA-N 2 1 310.442 0.198 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)C1=O ZINC000903912324 663494955 /nfs/dbraw/zinc/49/49/55/663494955.db2.gz DCMXBHLRVNMNKQ-HOCLYGCPSA-N 2 1 319.453 0.565 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)C1=O ZINC000903912324 663494956 /nfs/dbraw/zinc/49/49/56/663494956.db2.gz DCMXBHLRVNMNKQ-HOCLYGCPSA-N 2 1 319.453 0.565 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906668655 663628946 /nfs/dbraw/zinc/62/89/46/663628946.db2.gz NPYKDTZBWLEVHA-UHFFFAOYSA-N 2 1 302.378 0.155 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355447 664115570 /nfs/dbraw/zinc/11/55/70/664115570.db2.gz BHBVDLXTYVUHJO-KONPQCLYSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355447 664115572 /nfs/dbraw/zinc/11/55/72/664115572.db2.gz BHBVDLXTYVUHJO-KONPQCLYSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355447 664115573 /nfs/dbraw/zinc/11/55/73/664115573.db2.gz BHBVDLXTYVUHJO-KONPQCLYSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355447 664115575 /nfs/dbraw/zinc/11/55/75/664115575.db2.gz BHBVDLXTYVUHJO-KONPQCLYSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC(C)(C)C ZINC000912509469 664181983 /nfs/dbraw/zinc/18/19/83/664181983.db2.gz HIRCEMSULVNTGZ-ZIAGYGMSSA-N 2 1 312.458 0.830 20 30 DCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689584 665290944 /nfs/dbraw/zinc/29/09/44/665290944.db2.gz WPRMMJVPGMATDW-CVEARBPZSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001032838293 666298555 /nfs/dbraw/zinc/29/85/55/666298555.db2.gz GTMWDRFEAVVAOK-RBSFLKMASA-N 2 1 320.437 0.058 20 30 DCEDMP C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)[C@H]3CCCN3C)C2)C1=O ZINC001032838293 666298558 /nfs/dbraw/zinc/29/85/58/666298558.db2.gz GTMWDRFEAVVAOK-RBSFLKMASA-N 2 1 320.437 0.058 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001033685951 666795452 /nfs/dbraw/zinc/79/54/52/666795452.db2.gz XXUBZKNRDUCBIZ-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001033688979 666796964 /nfs/dbraw/zinc/79/69/64/666796964.db2.gz WBMCXEKDBWPKNR-WBVHZDCISA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005427443 666856595 /nfs/dbraw/zinc/85/65/95/666856595.db2.gz WSNKHOQAZXCVPA-JKSUJKDBSA-N 2 1 305.422 0.406 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907977 666865181 /nfs/dbraw/zinc/86/51/81/666865181.db2.gz WJKCBZSJIWTJCE-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033907977 666865184 /nfs/dbraw/zinc/86/51/84/666865184.db2.gz WJKCBZSJIWTJCE-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033907977 666865187 /nfs/dbraw/zinc/86/51/87/666865187.db2.gz WJKCBZSJIWTJCE-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000734454482 666876553 /nfs/dbraw/zinc/87/65/53/666876553.db2.gz XZBAYSYFTBVUHY-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000734454482 666876557 /nfs/dbraw/zinc/87/65/57/666876557.db2.gz XZBAYSYFTBVUHY-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000734454482 666876561 /nfs/dbraw/zinc/87/65/61/666876561.db2.gz XZBAYSYFTBVUHY-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000734454482 666876564 /nfs/dbraw/zinc/87/65/64/666876564.db2.gz XZBAYSYFTBVUHY-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001034044714 666906425 /nfs/dbraw/zinc/90/64/25/666906425.db2.gz DMWWKTDOASENOX-WBVHZDCISA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1 ZINC001034664150 667092188 /nfs/dbraw/zinc/09/21/88/667092188.db2.gz WJDRYGJCMNAKFO-VGWMRTNUSA-N 2 1 307.438 0.482 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1 ZINC001034664150 667092192 /nfs/dbraw/zinc/09/21/92/667092192.db2.gz WJDRYGJCMNAKFO-VGWMRTNUSA-N 2 1 307.438 0.482 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001034680795 667103708 /nfs/dbraw/zinc/10/37/08/667103708.db2.gz UPGSKBGXZUEBJH-JOCQHMNTSA-N 2 1 304.394 1.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000884162536 667487708 /nfs/dbraw/zinc/48/77/08/667487708.db2.gz HXAZLGJPIQMWEZ-HNNXBMFYSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000884162536 667487711 /nfs/dbraw/zinc/48/77/11/667487711.db2.gz HXAZLGJPIQMWEZ-HNNXBMFYSA-N 2 1 322.453 0.494 20 30 DCEDMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884198816 667496416 /nfs/dbraw/zinc/49/64/16/667496416.db2.gz HUHSFUCDWUKQEV-HCEZTOJASA-N 2 1 304.438 0.972 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000889775205 667995764 /nfs/dbraw/zinc/99/57/64/667995764.db2.gz UNMIXIAMIYIFNA-DLBZAZTESA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000890371841 668123795 /nfs/dbraw/zinc/12/37/95/668123795.db2.gz BVXUMFFSKMFTJJ-HNNXBMFYSA-N 2 1 301.394 0.312 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000890371841 668123797 /nfs/dbraw/zinc/12/37/97/668123797.db2.gz BVXUMFFSKMFTJJ-HNNXBMFYSA-N 2 1 301.394 0.312 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000890371656 668124029 /nfs/dbraw/zinc/12/40/29/668124029.db2.gz AESOUSBOQWDDGV-CVEARBPZSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000890371656 668124032 /nfs/dbraw/zinc/12/40/32/668124032.db2.gz AESOUSBOQWDDGV-CVEARBPZSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000947795413 670012910 /nfs/dbraw/zinc/01/29/10/670012910.db2.gz CJDSAACFEOMMTM-GDBMZVCRSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000948825694 670188135 /nfs/dbraw/zinc/18/81/35/670188135.db2.gz NCLSGJSFKXEYCN-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819058996 671090127 /nfs/dbraw/zinc/09/01/27/671090127.db2.gz AYXZZMAQOGWGDN-INIZCTEOSA-N 2 1 316.405 0.345 20 30 DCEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000852888167 671186615 /nfs/dbraw/zinc/18/66/15/671186615.db2.gz UECWDAYAEJBUSR-AWEZNQCLSA-N 2 1 321.421 0.085 20 30 DCEDMP COC(=O)CC[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000852888167 671186617 /nfs/dbraw/zinc/18/66/17/671186617.db2.gz UECWDAYAEJBUSR-AWEZNQCLSA-N 2 1 321.421 0.085 20 30 DCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N2CCSCC2)CC1 ZINC000303897882 685208193 /nfs/dbraw/zinc/20/81/93/685208193.db2.gz VGNNZUJFEHABJW-CQSZACIVSA-N 2 1 313.515 0.624 20 30 DCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])N1CCCCC1 ZINC000303985772 685209389 /nfs/dbraw/zinc/20/93/89/685209389.db2.gz TZDXIHVPLIWMDM-CQSZACIVSA-N 2 1 309.458 0.730 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)CC(F)(F)F ZINC000304757474 685211573 /nfs/dbraw/zinc/21/15/73/685211573.db2.gz OXUWCXMUHXNTFG-LLVKDONJSA-N 2 1 309.380 0.869 20 30 DCEDMP Cc1nc(C)c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000304760321 685211661 /nfs/dbraw/zinc/21/16/61/685211661.db2.gz SEKJSEQCARXKOI-UHFFFAOYSA-N 2 1 311.455 0.887 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171748 687403461 /nfs/dbraw/zinc/40/34/61/687403461.db2.gz LERXYJFRGLJBBL-LSDHHAIUSA-N 2 1 307.438 0.457 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481139 687694808 /nfs/dbraw/zinc/69/48/08/687694808.db2.gz NLOYMNMPMWNZBJ-DLBZAZTESA-N 2 1 317.433 0.957 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCCO)CC[C@H]2C)CC1 ZINC000968682942 690365523 /nfs/dbraw/zinc/36/55/23/690365523.db2.gz WKNANCZBGUFZNR-WBVHZDCISA-N 2 1 321.465 0.541 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001424690 690544488 /nfs/dbraw/zinc/54/44/88/690544488.db2.gz KVBSCARVVXIBMV-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826647 692457885 /nfs/dbraw/zinc/45/78/85/692457885.db2.gz HDNUHKSHOKKECK-OAHLLOKOSA-N 2 1 303.410 0.272 20 30 DCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC001072746515 694659893 /nfs/dbraw/zinc/65/98/93/694659893.db2.gz RFSQQOVYLUMDSK-UHFFFAOYSA-N 2 1 317.437 0.779 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599807 694749681 /nfs/dbraw/zinc/74/96/81/694749681.db2.gz OVPQUCOBTILQTF-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599807 694749682 /nfs/dbraw/zinc/74/96/82/694749682.db2.gz OVPQUCOBTILQTF-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599807 694749683 /nfs/dbraw/zinc/74/96/83/694749683.db2.gz OVPQUCOBTILQTF-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599807 694749684 /nfs/dbraw/zinc/74/96/84/694749684.db2.gz OVPQUCOBTILQTF-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001073605893 694750599 /nfs/dbraw/zinc/75/05/99/694750599.db2.gz YCRWLMNMVLDGAT-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073605893 694750601 /nfs/dbraw/zinc/75/06/01/694750601.db2.gz YCRWLMNMVLDGAT-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605893 694750603 /nfs/dbraw/zinc/75/06/03/694750603.db2.gz YCRWLMNMVLDGAT-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605893 694750605 /nfs/dbraw/zinc/75/06/05/694750605.db2.gz YCRWLMNMVLDGAT-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)[C@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001570752273 1162611633 /nfs/dbraw/zinc/61/16/33/1162611633.db2.gz WDDFXZBLKHBDOU-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001570805743 1162623184 /nfs/dbraw/zinc/62/31/84/1162623184.db2.gz JEAJTINOOVRKMR-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001571001486 1162665282 /nfs/dbraw/zinc/66/52/82/1162665282.db2.gz JSBXKVLOCFTUPZ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001571353595 1162715631 /nfs/dbraw/zinc/71/56/31/1162715631.db2.gz CPEPTCIMXMPAFC-HZPDHXFCSA-N 2 1 307.438 0.749 20 30 DCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001571438769 1162754817 /nfs/dbraw/zinc/75/48/17/1162754817.db2.gz SYQZNWQBFAPLMG-KBPBESRZSA-N 2 1 306.410 0.397 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cncn1C ZINC001772517176 1157409572 /nfs/dbraw/zinc/40/95/72/1157409572.db2.gz SKGXHXVIPHBJMD-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cncn1C ZINC001772517176 1157409575 /nfs/dbraw/zinc/40/95/75/1157409575.db2.gz SKGXHXVIPHBJMD-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC#CCOC)C1CC1 ZINC001670480025 1157448593 /nfs/dbraw/zinc/44/85/93/1157448593.db2.gz LSQWJNIKXBTTIZ-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[N@H+](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001691236349 1157617907 /nfs/dbraw/zinc/61/79/07/1157617907.db2.gz AWRNATAWPHKSCZ-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001691382483 1157657949 /nfs/dbraw/zinc/65/79/49/1157657949.db2.gz VXZMAUQCSHMWNN-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001691382483 1157657953 /nfs/dbraw/zinc/65/79/53/1157657953.db2.gz VXZMAUQCSHMWNN-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)CN1CCOCC1 ZINC001755200441 1158011318 /nfs/dbraw/zinc/01/13/18/1158011318.db2.gz KQQZILVYAIDHBN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001755200441 1158011322 /nfs/dbraw/zinc/01/13/22/1158011322.db2.gz KQQZILVYAIDHBN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001755200441 1158011329 /nfs/dbraw/zinc/01/13/29/1158011329.db2.gz KQQZILVYAIDHBN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=C)Cl ZINC001700944822 1158130225 /nfs/dbraw/zinc/13/02/25/1158130225.db2.gz YYIFZQUJQYGKNO-KGLIPLIRSA-N 2 1 313.829 0.245 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=C)Cl ZINC001700944822 1158130229 /nfs/dbraw/zinc/13/02/29/1158130229.db2.gz YYIFZQUJQYGKNO-KGLIPLIRSA-N 2 1 313.829 0.245 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001755443791 1158141787 /nfs/dbraw/zinc/14/17/87/1158141787.db2.gz DEFWXJLDIKZXSI-GJZGRUSLSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001566471068 1159999041 /nfs/dbraw/zinc/99/90/41/1159999041.db2.gz KMNKWQPFDCLPKP-UHFFFAOYSA-N 2 1 322.453 0.355 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566672243 1160125427 /nfs/dbraw/zinc/12/54/27/1160125427.db2.gz JFWPPDCUMRQSKX-ZFWWWQNUSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566672243 1160125432 /nfs/dbraw/zinc/12/54/32/1160125432.db2.gz JFWPPDCUMRQSKX-ZFWWWQNUSA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001566905290 1160181554 /nfs/dbraw/zinc/18/15/54/1160181554.db2.gz OVYCKPTZFOJESN-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001567399697 1160346833 /nfs/dbraw/zinc/34/68/33/1160346833.db2.gz CILLKBCCLMRYBF-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567399697 1160346840 /nfs/dbraw/zinc/34/68/40/1160346840.db2.gz CILLKBCCLMRYBF-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001567399697 1160346847 /nfs/dbraw/zinc/34/68/47/1160346847.db2.gz CILLKBCCLMRYBF-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOC)CC1 ZINC001569596349 1161161498 /nfs/dbraw/zinc/16/14/98/1161161498.db2.gz XJEQLOMZKCZOFZ-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001569596377 1161162215 /nfs/dbraw/zinc/16/22/15/1161162215.db2.gz YOWSQPDKZUADHL-AWEZNQCLSA-N 2 1 318.421 0.499 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569749239 1161222936 /nfs/dbraw/zinc/22/29/36/1161222936.db2.gz RFLMGDRPOSGUDS-WMZOPIPTSA-N 2 1 321.465 0.847 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569765821 1161234772 /nfs/dbraw/zinc/23/47/72/1161234772.db2.gz RSUAAGNAWLADRD-DOTOQJQBSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001570200918 1161487254 /nfs/dbraw/zinc/48/72/54/1161487254.db2.gz LLJRMCZWQKVJKP-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001570200918 1161487262 /nfs/dbraw/zinc/48/72/62/1161487262.db2.gz LLJRMCZWQKVJKP-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001570200918 1161487269 /nfs/dbraw/zinc/48/72/69/1161487269.db2.gz LLJRMCZWQKVJKP-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001570356474 1161578767 /nfs/dbraw/zinc/57/87/67/1161578767.db2.gz GJECCAVMEVAXPW-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001574674233 1163741112 /nfs/dbraw/zinc/74/11/12/1163741112.db2.gz WYMQYEIHSSYTKL-CABCVRRESA-N 2 1 305.422 0.440 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001574674233 1163741116 /nfs/dbraw/zinc/74/11/16/1163741116.db2.gz WYMQYEIHSSYTKL-CABCVRRESA-N 2 1 305.422 0.440 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001618545495 1171399181 /nfs/dbraw/zinc/39/91/81/1171399181.db2.gz MLFPRJZYMZAIQQ-HZPDHXFCSA-N 2 1 307.438 0.436 20 30 DCEDMP C[N@H+]1C[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C[C@]2(C)C1 ZINC001650413938 1173628128 /nfs/dbraw/zinc/62/81/28/1173628128.db2.gz FAEDFWXLFMZKPV-SJUKIULCSA-N 2 1 302.422 0.536 20 30 DCEDMP C#CCNC(=O)CC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC001653931721 1173797977 /nfs/dbraw/zinc/79/79/77/1173797977.db2.gz UKDHLCGXJKAEEQ-UHFFFAOYSA-N 2 1 320.481 0.618 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001660369260 1173984001 /nfs/dbraw/zinc/98/40/01/1173984001.db2.gz UWHGIDHPWPWWRS-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001667847695 1174723726 /nfs/dbraw/zinc/72/37/26/1174723726.db2.gz DGINDQWMVFYULB-OAHLLOKOSA-N 2 1 309.454 0.729 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001671604483 1175021806 /nfs/dbraw/zinc/02/18/06/1175021806.db2.gz ZSUHODSMSBTUKH-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001672413001 1175104490 /nfs/dbraw/zinc/10/44/90/1175104490.db2.gz SEJATYGSIVBFEL-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001672413001 1175104492 /nfs/dbraw/zinc/10/44/92/1175104492.db2.gz SEJATYGSIVBFEL-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001672413001 1175104495 /nfs/dbraw/zinc/10/44/95/1175104495.db2.gz SEJATYGSIVBFEL-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001672413001 1175104498 /nfs/dbraw/zinc/10/44/98/1175104498.db2.gz SEJATYGSIVBFEL-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001672442755 1175107945 /nfs/dbraw/zinc/10/79/45/1175107945.db2.gz MHDVIPMWFWMIRX-ZNMIVQPWSA-N 2 1 322.453 0.019 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001672677267 1175141901 /nfs/dbraw/zinc/14/19/01/1175141901.db2.gz UULPDYHMNRMAHR-OAHLLOKOSA-N 2 1 320.437 0.741 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001674029026 1175246502 /nfs/dbraw/zinc/24/65/02/1175246502.db2.gz OFAOKTYNQPRGKT-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001674029026 1175246510 /nfs/dbraw/zinc/24/65/10/1175246510.db2.gz OFAOKTYNQPRGKT-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001674925891 1175310041 /nfs/dbraw/zinc/31/00/41/1175310041.db2.gz REKGTSQHZJUBOA-GDBMZVCRSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCOCC)CC1 ZINC001675048335 1175322683 /nfs/dbraw/zinc/32/26/83/1175322683.db2.gz DIAIJLSJIHVKKT-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001676692136 1175476599 /nfs/dbraw/zinc/47/65/99/1175476599.db2.gz AVFRUUZUMRAUPC-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001677116940 1175530543 /nfs/dbraw/zinc/53/05/43/1175530543.db2.gz YLJOIJGASHLSOG-GDBMZVCRSA-N 2 1 320.437 0.739 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCOC(C)C)C1 ZINC001688904085 1176652501 /nfs/dbraw/zinc/65/25/01/1176652501.db2.gz GPNHULSUQYARDN-BBWFWOEESA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCOC(C)C)C1 ZINC001688904085 1176652505 /nfs/dbraw/zinc/65/25/05/1176652505.db2.gz GPNHULSUQYARDN-BBWFWOEESA-N 2 1 321.465 0.993 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001689259967 1176773835 /nfs/dbraw/zinc/77/38/35/1176773835.db2.gz SFRCYKBUBUYLON-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001689259967 1176773841 /nfs/dbraw/zinc/77/38/41/1176773841.db2.gz SFRCYKBUBUYLON-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001689259965 1176773986 /nfs/dbraw/zinc/77/39/86/1176773986.db2.gz SFRCYKBUBUYLON-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001689259965 1176773989 /nfs/dbraw/zinc/77/39/89/1176773989.db2.gz SFRCYKBUBUYLON-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001690060325 1177156301 /nfs/dbraw/zinc/15/63/01/1177156301.db2.gz RCVLZOHUMNRSLM-INIZCTEOSA-N 2 1 321.469 0.508 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001690060325 1177156306 /nfs/dbraw/zinc/15/63/06/1177156306.db2.gz RCVLZOHUMNRSLM-INIZCTEOSA-N 2 1 321.469 0.508 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001690155580 1177182627 /nfs/dbraw/zinc/18/26/27/1177182627.db2.gz DRLPQBSTTZEWIK-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001690357346 1177222358 /nfs/dbraw/zinc/22/23/58/1177222358.db2.gz QTQXIOLFOPNENB-GASCZTMLSA-N 2 1 318.421 0.893 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cnn(C)c1 ZINC001691978482 1177395929 /nfs/dbraw/zinc/39/59/29/1177395929.db2.gz IEQZNQXXMNBPAA-JKSUJKDBSA-N 2 1 317.437 0.279 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001692233397 1177453861 /nfs/dbraw/zinc/45/38/61/1177453861.db2.gz KQQLILKLWJZXMA-IXDOHACOSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001692233397 1177453864 /nfs/dbraw/zinc/45/38/64/1177453864.db2.gz KQQLILKLWJZXMA-IXDOHACOSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001692233397 1177453868 /nfs/dbraw/zinc/45/38/68/1177453868.db2.gz KQQLILKLWJZXMA-IXDOHACOSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001692241243 1177457371 /nfs/dbraw/zinc/45/73/71/1177457371.db2.gz HELMWTISWFXHHU-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001692241243 1177457379 /nfs/dbraw/zinc/45/73/79/1177457379.db2.gz HELMWTISWFXHHU-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001692241243 1177457386 /nfs/dbraw/zinc/45/73/86/1177457386.db2.gz HELMWTISWFXHHU-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001692342201 1177489125 /nfs/dbraw/zinc/48/91/25/1177489125.db2.gz JIDUILUKDOLEJD-UHFFFAOYSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001698586198 1177572402 /nfs/dbraw/zinc/57/24/02/1177572402.db2.gz POIXTOLMWSSDRW-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001698586198 1177572410 /nfs/dbraw/zinc/57/24/10/1177572410.db2.gz POIXTOLMWSSDRW-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CCCO1 ZINC001699270840 1178012871 /nfs/dbraw/zinc/01/28/71/1178012871.db2.gz KDPVLQXVHAYCLE-YRLOJYSSSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CCCO1 ZINC001699270840 1178012880 /nfs/dbraw/zinc/01/28/80/1178012880.db2.gz KDPVLQXVHAYCLE-YRLOJYSSSA-N 2 1 319.449 0.915 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001699820267 1178303374 /nfs/dbraw/zinc/30/33/74/1178303374.db2.gz WYXPYLXVDXRZIM-QGZVFWFLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001699820267 1178303383 /nfs/dbraw/zinc/30/33/83/1178303383.db2.gz WYXPYLXVDXRZIM-QGZVFWFLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001699820267 1178303392 /nfs/dbraw/zinc/30/33/92/1178303392.db2.gz WYXPYLXVDXRZIM-QGZVFWFLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001699820267 1178303401 /nfs/dbraw/zinc/30/34/01/1178303401.db2.gz WYXPYLXVDXRZIM-QGZVFWFLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001699900462 1178352075 /nfs/dbraw/zinc/35/20/75/1178352075.db2.gz GEWKZFJTUQYSOL-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2C1 ZINC001699990706 1178408547 /nfs/dbraw/zinc/40/85/47/1178408547.db2.gz JTSPRNYIANLCOK-CALCHBBNSA-N 2 1 321.465 0.758 20 30 DCEDMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2C1 ZINC001699990706 1178408549 /nfs/dbraw/zinc/40/85/49/1178408549.db2.gz JTSPRNYIANLCOK-CALCHBBNSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CCC)CC1 ZINC001699992095 1178410445 /nfs/dbraw/zinc/41/04/45/1178410445.db2.gz IEJUVXVQWMRPRA-KRWDZBQOSA-N 2 1 320.481 0.664 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CCC)CC1 ZINC001699992095 1178410447 /nfs/dbraw/zinc/41/04/47/1178410447.db2.gz IEJUVXVQWMRPRA-KRWDZBQOSA-N 2 1 320.481 0.664 20 30 DCEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001700337257 1178586701 /nfs/dbraw/zinc/58/67/01/1178586701.db2.gz FFKVWAMCNQRMJK-UHFFFAOYSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCC(=C)C ZINC001700965750 1178846043 /nfs/dbraw/zinc/84/60/43/1178846043.db2.gz ZQVMCGPJQIZNDU-IRXDYDNUSA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC(=C)C ZINC001700965750 1178846054 /nfs/dbraw/zinc/84/60/54/1178846054.db2.gz ZQVMCGPJQIZNDU-IRXDYDNUSA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC(=C)C ZINC001700965750 1178846066 /nfs/dbraw/zinc/84/60/66/1178846066.db2.gz ZQVMCGPJQIZNDU-IRXDYDNUSA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC(=C)C ZINC001700965750 1178846078 /nfs/dbraw/zinc/84/60/78/1178846078.db2.gz ZQVMCGPJQIZNDU-IRXDYDNUSA-N 2 1 321.465 0.801 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001700965621 1178848280 /nfs/dbraw/zinc/84/82/80/1178848280.db2.gz YKXJBUOUDBKPBO-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001700965621 1178848287 /nfs/dbraw/zinc/84/82/87/1178848287.db2.gz YKXJBUOUDBKPBO-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001700965621 1178848293 /nfs/dbraw/zinc/84/82/93/1178848293.db2.gz YKXJBUOUDBKPBO-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001700976464 1178856119 /nfs/dbraw/zinc/85/61/19/1178856119.db2.gz VIYKOSYIHNTFFJ-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001707209306 1180436140 /nfs/dbraw/zinc/43/61/40/1180436140.db2.gz QPMNGJIZDFXLGF-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001707209306 1180436142 /nfs/dbraw/zinc/43/61/42/1180436142.db2.gz QPMNGJIZDFXLGF-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001707209306 1180436143 /nfs/dbraw/zinc/43/61/43/1180436143.db2.gz QPMNGJIZDFXLGF-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)C[C@H](C)O)CC1 ZINC001707469626 1180528080 /nfs/dbraw/zinc/52/80/80/1180528080.db2.gz GEQXBKRRZADVPI-HNNXBMFYSA-N 2 1 309.454 0.541 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001713078648 1180671160 /nfs/dbraw/zinc/67/11/60/1180671160.db2.gz YRVZJDPDGDLXIT-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001713149331 1180698059 /nfs/dbraw/zinc/69/80/59/1180698059.db2.gz OXGOAXOGZDIMDO-ILXRZTDVSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713234848 1180731805 /nfs/dbraw/zinc/73/18/05/1180731805.db2.gz WNELEIJTDWFMGH-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001713383679 1180792085 /nfs/dbraw/zinc/79/20/85/1180792085.db2.gz CNCHOSHDIZWQQE-KRWDZBQOSA-N 2 1 317.433 0.952 20 30 DCEDMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001713383679 1180792093 /nfs/dbraw/zinc/79/20/93/1180792093.db2.gz CNCHOSHDIZWQQE-KRWDZBQOSA-N 2 1 317.433 0.952 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713495768 1180870079 /nfs/dbraw/zinc/87/00/79/1180870079.db2.gz ACNOUPUBBXQJLP-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713495768 1180870085 /nfs/dbraw/zinc/87/00/85/1180870085.db2.gz ACNOUPUBBXQJLP-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001713744561 1181040316 /nfs/dbraw/zinc/04/03/16/1181040316.db2.gz BDUMDKYBPFKESQ-IRXDYDNUSA-N 2 1 320.481 0.568 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713744003 1181040815 /nfs/dbraw/zinc/04/08/15/1181040815.db2.gz DHIMHKRPMYTFDC-UHFFFAOYSA-N 2 1 320.481 0.428 20 30 DCEDMP C=CCNC(=O)CN1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001713793546 1181068777 /nfs/dbraw/zinc/06/87/77/1181068777.db2.gz NELAAQIVXLYNJZ-AWEZNQCLSA-N 2 1 319.409 0.074 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1 ZINC001713868163 1181121690 /nfs/dbraw/zinc/12/16/90/1181121690.db2.gz NRHDTAWARMGCMG-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714043331 1181220804 /nfs/dbraw/zinc/22/08/04/1181220804.db2.gz RXRWMNFCGORWAC-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001714325553 1181320862 /nfs/dbraw/zinc/32/08/62/1181320862.db2.gz UBDYQLCJHQZQJC-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001714325553 1181320868 /nfs/dbraw/zinc/32/08/68/1181320868.db2.gz UBDYQLCJHQZQJC-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714381044 1181343573 /nfs/dbraw/zinc/34/35/73/1181343573.db2.gz XEGILIXAXDOJAH-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001714829745 1181564602 /nfs/dbraw/zinc/56/46/02/1181564602.db2.gz MMULAFDXJHFHRM-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001715379223 1181796560 /nfs/dbraw/zinc/79/65/60/1181796560.db2.gz SSVGENZSBYUHJE-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001715529741 1181843875 /nfs/dbraw/zinc/84/38/75/1181843875.db2.gz LIYZQMZXMIFGQX-AWEZNQCLSA-N 2 1 310.442 0.115 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001715529741 1181843881 /nfs/dbraw/zinc/84/38/81/1181843881.db2.gz LIYZQMZXMIFGQX-AWEZNQCLSA-N 2 1 310.442 0.115 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001715603734 1181891033 /nfs/dbraw/zinc/89/10/33/1181891033.db2.gz VDGZXCXMPFXDJS-DZGCQCFKSA-N 2 1 306.410 0.397 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001716072888 1182172996 /nfs/dbraw/zinc/17/29/96/1182172996.db2.gz YBSSMQDAUMRNMV-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001717264622 1182756834 /nfs/dbraw/zinc/75/68/34/1182756834.db2.gz KEFUSFQYEPUBIB-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001717324118 1182782719 /nfs/dbraw/zinc/78/27/19/1182782719.db2.gz ZPUOJUKTULEKGV-HZPDHXFCSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001717519408 1182879786 /nfs/dbraw/zinc/87/97/86/1182879786.db2.gz XKTIWDVAMIHKJQ-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001717564587 1182901943 /nfs/dbraw/zinc/90/19/43/1182901943.db2.gz JGKNSHXACJVJRW-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001717564587 1182901949 /nfs/dbraw/zinc/90/19/49/1182901949.db2.gz JGKNSHXACJVJRW-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001717939332 1183078816 /nfs/dbraw/zinc/07/88/16/1183078816.db2.gz FDMXJLSLJKEBNE-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001717939332 1183078822 /nfs/dbraw/zinc/07/88/22/1183078822.db2.gz FDMXJLSLJKEBNE-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001717939332 1183078828 /nfs/dbraw/zinc/07/88/28/1183078828.db2.gz FDMXJLSLJKEBNE-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCO)CC1 ZINC001724064324 1184374979 /nfs/dbraw/zinc/37/49/79/1184374979.db2.gz CROUKZLHSNRVTA-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001724109055 1184377370 /nfs/dbraw/zinc/37/73/70/1184377370.db2.gz JDFDWTHAUOWAQT-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001724109055 1184377378 /nfs/dbraw/zinc/37/73/78/1184377378.db2.gz JDFDWTHAUOWAQT-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001724164716 1184393966 /nfs/dbraw/zinc/39/39/66/1184393966.db2.gz HRHPGSWTJZFWAU-MRXNPFEDSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001724164716 1184393972 /nfs/dbraw/zinc/39/39/72/1184393972.db2.gz HRHPGSWTJZFWAU-MRXNPFEDSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001724173770 1184397702 /nfs/dbraw/zinc/39/77/02/1184397702.db2.gz MGIAODCDXKIUAP-WMLDXEAASA-N 2 1 322.453 0.306 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001724641299 1184490685 /nfs/dbraw/zinc/49/06/85/1184490685.db2.gz ITITUIOCOVHRLY-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001724641299 1184490689 /nfs/dbraw/zinc/49/06/89/1184490689.db2.gz ITITUIOCOVHRLY-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001724790818 1184558422 /nfs/dbraw/zinc/55/84/22/1184558422.db2.gz XJXRONOVXUUDLB-UHFFFAOYSA-N 2 1 304.394 0.470 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001724829580 1184580537 /nfs/dbraw/zinc/58/05/37/1184580537.db2.gz APFLSVFOCGUQMZ-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001724829580 1184580544 /nfs/dbraw/zinc/58/05/44/1184580544.db2.gz APFLSVFOCGUQMZ-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CCCO)CC1 ZINC001724859356 1184595611 /nfs/dbraw/zinc/59/56/11/1184595611.db2.gz DPEKDEKNKHVPOU-UHFFFAOYSA-N 2 1 309.454 0.494 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001725000951 1184651556 /nfs/dbraw/zinc/65/15/56/1184651556.db2.gz VMEDWPCJJZGLTD-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001725000951 1184651560 /nfs/dbraw/zinc/65/15/60/1184651560.db2.gz VMEDWPCJJZGLTD-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001725337940 1184777989 /nfs/dbraw/zinc/77/79/89/1184777989.db2.gz PPPSCTROCJOBBE-GVDBMIGSSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001725337940 1184777996 /nfs/dbraw/zinc/77/79/96/1184777996.db2.gz PPPSCTROCJOBBE-GVDBMIGSSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725518865 1184855274 /nfs/dbraw/zinc/85/52/74/1184855274.db2.gz VCLAKNQTKIDREZ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001725614824 1184912169 /nfs/dbraw/zinc/91/21/69/1184912169.db2.gz AQHXEQIXWSMJTD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001725614824 1184912174 /nfs/dbraw/zinc/91/21/74/1184912174.db2.gz AQHXEQIXWSMJTD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001725614824 1184912180 /nfs/dbraw/zinc/91/21/80/1184912180.db2.gz AQHXEQIXWSMJTD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001725614824 1184912186 /nfs/dbraw/zinc/91/21/86/1184912186.db2.gz AQHXEQIXWSMJTD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001725650615 1184928618 /nfs/dbraw/zinc/92/86/18/1184928618.db2.gz KJLYQBXADACIEF-HZPDHXFCSA-N 2 1 318.421 0.716 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001731361140 1185294192 /nfs/dbraw/zinc/29/41/92/1185294192.db2.gz ODNDBHNFFLGYQV-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001731361140 1185294196 /nfs/dbraw/zinc/29/41/96/1185294196.db2.gz ODNDBHNFFLGYQV-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001731361140 1185294206 /nfs/dbraw/zinc/29/42/06/1185294206.db2.gz ODNDBHNFFLGYQV-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001731441446 1185333584 /nfs/dbraw/zinc/33/35/84/1185333584.db2.gz GDMQGNFZTGPQPU-XDQVBPFNSA-N 2 1 308.426 0.008 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001731795048 1185492624 /nfs/dbraw/zinc/49/26/24/1185492624.db2.gz ARTPKLJNGQABRL-HNNXBMFYSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1cnn(C)c1 ZINC001731919668 1185574105 /nfs/dbraw/zinc/57/41/05/1185574105.db2.gz LBLXUGFVDHMJDF-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1cnn(C)c1 ZINC001731919668 1185574118 /nfs/dbraw/zinc/57/41/18/1185574118.db2.gz LBLXUGFVDHMJDF-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001732659958 1185902727 /nfs/dbraw/zinc/90/27/27/1185902727.db2.gz XJTAZIHGDPPOAZ-HOCLYGCPSA-N 2 1 320.437 0.787 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC#CCOC)CC[N@H+]1C ZINC001732853435 1186015699 /nfs/dbraw/zinc/01/56/99/1186015699.db2.gz QHNDVSUGTOKETB-LGZALOBFSA-N 2 1 307.438 0.629 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001733184322 1186173002 /nfs/dbraw/zinc/17/30/02/1186173002.db2.gz UUBPQHIQRVZIGW-HOCLYGCPSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001733362929 1186240854 /nfs/dbraw/zinc/24/08/54/1186240854.db2.gz ZIVYOOVARHSBFD-UHFFFAOYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001733362929 1186240857 /nfs/dbraw/zinc/24/08/57/1186240857.db2.gz ZIVYOOVARHSBFD-UHFFFAOYSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001733587253 1186347640 /nfs/dbraw/zinc/34/76/40/1186347640.db2.gz DLFURKUOMYXTFS-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001733587253 1186347645 /nfs/dbraw/zinc/34/76/45/1186347645.db2.gz DLFURKUOMYXTFS-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001733587253 1186347652 /nfs/dbraw/zinc/34/76/52/1186347652.db2.gz DLFURKUOMYXTFS-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001733757153 1186434866 /nfs/dbraw/zinc/43/48/66/1186434866.db2.gz GYVYQURGBMEUOY-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001733757153 1186434870 /nfs/dbraw/zinc/43/48/70/1186434870.db2.gz GYVYQURGBMEUOY-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001733757153 1186434874 /nfs/dbraw/zinc/43/48/74/1186434874.db2.gz GYVYQURGBMEUOY-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001733757153 1186434876 /nfs/dbraw/zinc/43/48/76/1186434876.db2.gz GYVYQURGBMEUOY-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001733874908 1186482305 /nfs/dbraw/zinc/48/23/05/1186482305.db2.gz FPKRMPKINATIBV-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001733874908 1186482308 /nfs/dbraw/zinc/48/23/08/1186482308.db2.gz FPKRMPKINATIBV-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001734356003 1186621994 /nfs/dbraw/zinc/62/19/94/1186621994.db2.gz IMMUEMPICMOKTI-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001734547445 1186688269 /nfs/dbraw/zinc/68/82/69/1186688269.db2.gz UASWPZSFCKVMTO-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001734547445 1186688275 /nfs/dbraw/zinc/68/82/75/1186688275.db2.gz UASWPZSFCKVMTO-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001734547445 1186688278 /nfs/dbraw/zinc/68/82/78/1186688278.db2.gz UASWPZSFCKVMTO-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH2+][C@H](CNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001752470923 1188424192 /nfs/dbraw/zinc/42/41/92/1188424192.db2.gz KRILHZKKZWOQQY-OAHLLOKOSA-N 2 1 304.394 0.858 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001752786623 1188441674 /nfs/dbraw/zinc/44/16/74/1188441674.db2.gz WAFRCMBATMASLM-AWEZNQCLSA-N 2 1 310.442 0.069 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001753025280 1188478855 /nfs/dbraw/zinc/47/88/55/1188478855.db2.gz QINLSKIVRAIPNC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001753025280 1188478846 /nfs/dbraw/zinc/47/88/46/1188478846.db2.gz QINLSKIVRAIPNC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001753025280 1188478848 /nfs/dbraw/zinc/47/88/48/1188478848.db2.gz QINLSKIVRAIPNC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001753025280 1188478852 /nfs/dbraw/zinc/47/88/52/1188478852.db2.gz QINLSKIVRAIPNC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001753451225 1188600174 /nfs/dbraw/zinc/60/01/74/1188600174.db2.gz ZLMQJCWPYSUIKG-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001753451225 1188600177 /nfs/dbraw/zinc/60/01/77/1188600177.db2.gz ZLMQJCWPYSUIKG-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001753451225 1188600181 /nfs/dbraw/zinc/60/01/81/1188600181.db2.gz ZLMQJCWPYSUIKG-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001753451225 1188600184 /nfs/dbraw/zinc/60/01/84/1188600184.db2.gz ZLMQJCWPYSUIKG-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001754308743 1188816650 /nfs/dbraw/zinc/81/66/50/1188816650.db2.gz FIXODVKZDKZYJT-CQSZACIVSA-N 2 1 305.426 0.518 20 30 DCEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001754753593 1188921723 /nfs/dbraw/zinc/92/17/23/1188921723.db2.gz AKQDTHGGOHVWKA-YQQAZPJKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001754753593 1188921724 /nfs/dbraw/zinc/92/17/24/1188921724.db2.gz AKQDTHGGOHVWKA-YQQAZPJKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001754753593 1188921725 /nfs/dbraw/zinc/92/17/25/1188921725.db2.gz AKQDTHGGOHVWKA-YQQAZPJKSA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC001755097284 1189021965 /nfs/dbraw/zinc/02/19/65/1189021965.db2.gz CRWBZBPSOAYGBN-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755199917 1189054466 /nfs/dbraw/zinc/05/44/66/1189054466.db2.gz AYXFRHQBYMAOCT-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755199917 1189054468 /nfs/dbraw/zinc/05/44/68/1189054468.db2.gz AYXFRHQBYMAOCT-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755199917 1189054471 /nfs/dbraw/zinc/05/44/71/1189054471.db2.gz AYXFRHQBYMAOCT-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001755786608 1189212878 /nfs/dbraw/zinc/21/28/78/1189212878.db2.gz GAPNQNOLMACIOF-GOEBONIOSA-N 2 1 320.437 0.739 20 30 DCEDMP C[N@H+]1CCO[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]21 ZINC001164670344 719370735 /nfs/dbraw/zinc/37/07/35/719370735.db2.gz UQMUXCIZHMFSMF-CVEARBPZSA-N 2 1 313.405 0.508 20 30 DCEDMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CC#CCOC ZINC001127686301 751629887 /nfs/dbraw/zinc/62/98/87/751629887.db2.gz YXPAXXALDOTASU-AWEZNQCLSA-N 2 1 306.410 0.752 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001124837625 751721734 /nfs/dbraw/zinc/72/17/34/751721734.db2.gz OVZQPLPZHBUVFL-HNNXBMFYSA-N 2 1 304.369 0.997 20 30 DCEDMP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124837584 751721807 /nfs/dbraw/zinc/72/18/07/751721807.db2.gz OHWKDFOHZMJJAW-HNNXBMFYSA-N 2 1 316.405 0.867 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107039713 751789171 /nfs/dbraw/zinc/78/91/71/751789171.db2.gz VITCPHQHOIAINV-HUUCEWRRSA-N 2 1 324.469 0.313 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089895107 751933898 /nfs/dbraw/zinc/93/38/98/751933898.db2.gz YYXCWMUWFXSEJC-QAETUUGQSA-N 2 1 313.445 0.884 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783306 751966511 /nfs/dbraw/zinc/96/65/11/751966511.db2.gz KRUPOKUATZHBOA-SJORKVTESA-N 2 1 317.433 0.752 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783306 751966514 /nfs/dbraw/zinc/96/65/14/751966514.db2.gz KRUPOKUATZHBOA-SJORKVTESA-N 2 1 317.433 0.752 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001098540780 747113042 /nfs/dbraw/zinc/11/30/42/747113042.db2.gz YIESQLIIEZKANC-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001098540780 747113045 /nfs/dbraw/zinc/11/30/45/747113045.db2.gz YIESQLIIEZKANC-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001098540780 747113050 /nfs/dbraw/zinc/11/30/50/747113050.db2.gz YIESQLIIEZKANC-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203203531 747259151 /nfs/dbraw/zinc/25/91/51/747259151.db2.gz NTIXSXVHAXACKO-UHFFFAOYSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H]1C ZINC001088815605 750079516 /nfs/dbraw/zinc/07/95/16/750079516.db2.gz WWVNMVXGLNIZRI-OWCLPIDISA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815605 750079518 /nfs/dbraw/zinc/07/95/18/750079518.db2.gz WWVNMVXGLNIZRI-OWCLPIDISA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815605 750079526 /nfs/dbraw/zinc/07/95/26/750079526.db2.gz WWVNMVXGLNIZRI-OWCLPIDISA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815605 750079531 /nfs/dbraw/zinc/07/95/31/750079531.db2.gz WWVNMVXGLNIZRI-OWCLPIDISA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@@H]1O ZINC001083537216 750117344 /nfs/dbraw/zinc/11/73/44/750117344.db2.gz IXRFAFCCXFZXEZ-PMPSAXMXSA-N 2 1 307.438 0.291 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106840531 751307180 /nfs/dbraw/zinc/30/71/80/751307180.db2.gz RUVMQQRGRPAGLI-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212353497 752645223 /nfs/dbraw/zinc/64/52/23/752645223.db2.gz STXOEQJAIFKHKY-RRFJBIMHSA-N 2 1 313.417 0.505 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046032830 753436477 /nfs/dbraw/zinc/43/64/77/753436477.db2.gz OHDMQPXAWALONU-BRWVUGGUSA-N 2 1 318.465 0.178 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046032830 753436478 /nfs/dbraw/zinc/43/64/78/753436478.db2.gz OHDMQPXAWALONU-BRWVUGGUSA-N 2 1 318.465 0.178 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046032830 753436482 /nfs/dbraw/zinc/43/64/82/753436482.db2.gz OHDMQPXAWALONU-BRWVUGGUSA-N 2 1 318.465 0.178 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046041257 753443902 /nfs/dbraw/zinc/44/39/02/753443902.db2.gz PKHQEWQIRSPLAX-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041257 753443906 /nfs/dbraw/zinc/44/39/06/753443906.db2.gz PKHQEWQIRSPLAX-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041257 753443912 /nfs/dbraw/zinc/44/39/12/753443912.db2.gz PKHQEWQIRSPLAX-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058148 753453836 /nfs/dbraw/zinc/45/38/36/753453836.db2.gz CYVUPJCFGHSTKT-KRWDZBQOSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046063798 753457788 /nfs/dbraw/zinc/45/77/88/753457788.db2.gz XWJZLHPEQUQTGI-HOTGVXAUSA-N 2 1 306.454 0.178 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046081499 753470727 /nfs/dbraw/zinc/47/07/27/753470727.db2.gz GNRQCJBQELIDIS-QGZVFWFLSA-N 2 1 318.465 0.324 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501020 753752513 /nfs/dbraw/zinc/75/25/13/753752513.db2.gz HHIGPMKAGDIDQR-HILOLKJVSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501020 753752520 /nfs/dbraw/zinc/75/25/20/753752520.db2.gz HHIGPMKAGDIDQR-HILOLKJVSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501020 753752526 /nfs/dbraw/zinc/75/25/26/753752526.db2.gz HHIGPMKAGDIDQR-HILOLKJVSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001047409692 754257870 /nfs/dbraw/zinc/25/78/70/754257870.db2.gz VTWQUKQVKIYCCQ-KKUMJFAQSA-N 2 1 316.405 0.287 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001047409692 754257876 /nfs/dbraw/zinc/25/78/76/754257876.db2.gz VTWQUKQVKIYCCQ-KKUMJFAQSA-N 2 1 316.405 0.287 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001047498496 754332983 /nfs/dbraw/zinc/33/29/83/754332983.db2.gz YBNOJZPYIFCTPO-IKGGRYGDSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498496 754332986 /nfs/dbraw/zinc/33/29/86/754332986.db2.gz YBNOJZPYIFCTPO-IKGGRYGDSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498496 754332990 /nfs/dbraw/zinc/33/29/90/754332990.db2.gz YBNOJZPYIFCTPO-IKGGRYGDSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498496 754332993 /nfs/dbraw/zinc/33/29/93/754332993.db2.gz YBNOJZPYIFCTPO-IKGGRYGDSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCN1CC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](O)C1 ZINC001090262917 754838638 /nfs/dbraw/zinc/83/86/38/754838638.db2.gz APDVRBUOOZLBLZ-HUUCEWRRSA-N 2 1 314.389 0.994 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891565 755001291 /nfs/dbraw/zinc/00/12/91/755001291.db2.gz QACCZYKXOLDHKM-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891565 755001296 /nfs/dbraw/zinc/00/12/96/755001296.db2.gz QACCZYKXOLDHKM-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891565 755001301 /nfs/dbraw/zinc/00/13/01/755001301.db2.gz QACCZYKXOLDHKM-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891565 755001302 /nfs/dbraw/zinc/00/13/02/755001302.db2.gz QACCZYKXOLDHKM-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049547846 755310186 /nfs/dbraw/zinc/31/01/86/755310186.db2.gz GVRJENYVRFOLCV-QBPKDAKJSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049547846 755310188 /nfs/dbraw/zinc/31/01/88/755310188.db2.gz GVRJENYVRFOLCV-QBPKDAKJSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547846 755310195 /nfs/dbraw/zinc/31/01/95/755310195.db2.gz GVRJENYVRFOLCV-QBPKDAKJSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547846 755310199 /nfs/dbraw/zinc/31/01/99/755310199.db2.gz GVRJENYVRFOLCV-QBPKDAKJSA-N 2 1 319.449 0.794 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049902708 755440139 /nfs/dbraw/zinc/44/01/39/755440139.db2.gz CMFFJQGSVIBHEG-BZUAXINKSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049902708 755440143 /nfs/dbraw/zinc/44/01/43/755440143.db2.gz CMFFJQGSVIBHEG-BZUAXINKSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902708 755440147 /nfs/dbraw/zinc/44/01/47/755440147.db2.gz CMFFJQGSVIBHEG-BZUAXINKSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902708 755440150 /nfs/dbraw/zinc/44/01/50/755440150.db2.gz CMFFJQGSVIBHEG-BZUAXINKSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049904927 755441123 /nfs/dbraw/zinc/44/11/23/755441123.db2.gz TYQAMHVYORTPJR-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049904927 755441126 /nfs/dbraw/zinc/44/11/26/755441126.db2.gz TYQAMHVYORTPJR-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904927 755441129 /nfs/dbraw/zinc/44/11/29/755441129.db2.gz TYQAMHVYORTPJR-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904927 755441130 /nfs/dbraw/zinc/44/11/30/755441130.db2.gz TYQAMHVYORTPJR-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001054296212 756426365 /nfs/dbraw/zinc/42/63/65/756426365.db2.gz ZUXAHZOFFKIEDL-ZACQAIPSSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001054296212 756426369 /nfs/dbraw/zinc/42/63/69/756426369.db2.gz ZUXAHZOFFKIEDL-ZACQAIPSSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001054910613 756673208 /nfs/dbraw/zinc/67/32/08/756673208.db2.gz DEQGGIRCBRSHDO-DZGCQCFKSA-N 2 1 300.406 0.832 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001082708642 757239856 /nfs/dbraw/zinc/23/98/56/757239856.db2.gz FYSLBHWUPGIDJV-XNRPHZJLSA-N 2 1 300.406 0.824 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082934979 757335829 /nfs/dbraw/zinc/33/58/29/757335829.db2.gz DUSWOVQIETYOTL-MRVWCRGKSA-N 2 1 315.845 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082934979 757335839 /nfs/dbraw/zinc/33/58/39/757335839.db2.gz DUSWOVQIETYOTL-MRVWCRGKSA-N 2 1 315.845 0.896 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084088093 757668132 /nfs/dbraw/zinc/66/81/32/757668132.db2.gz PNNKRESLKJYMSH-SJORKVTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C(C)C)C[C@@H]2O)CC1 ZINC001084087917 757668878 /nfs/dbraw/zinc/66/88/78/757668878.db2.gz IBONGOCAFXMPJQ-SJORKVTESA-N 2 1 319.449 0.459 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091939 757670056 /nfs/dbraw/zinc/67/00/56/757670056.db2.gz XVUGTAASPNWPGR-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091939 757670062 /nfs/dbraw/zinc/67/00/62/757670062.db2.gz XVUGTAASPNWPGR-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091939 757670068 /nfs/dbraw/zinc/67/00/68/757670068.db2.gz XVUGTAASPNWPGR-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050563458 757845210 /nfs/dbraw/zinc/84/52/10/757845210.db2.gz KQJGRVJHWAJCSE-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050563458 757845222 /nfs/dbraw/zinc/84/52/22/757845222.db2.gz KQJGRVJHWAJCSE-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@@H](C)O)C[C@H]32)CC1 ZINC001084851164 758082474 /nfs/dbraw/zinc/08/24/74/758082474.db2.gz PMVJBYFKPSHPQW-DJIMGWMZSA-N 2 1 319.449 0.245 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001084961252 758141622 /nfs/dbraw/zinc/14/16/22/758141622.db2.gz VOBUYUGEYZZLCQ-IKGGRYGDSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001084961252 758141631 /nfs/dbraw/zinc/14/16/31/758141631.db2.gz VOBUYUGEYZZLCQ-IKGGRYGDSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCO)[C@H]2C1 ZINC001084961252 758141637 /nfs/dbraw/zinc/14/16/37/758141637.db2.gz VOBUYUGEYZZLCQ-IKGGRYGDSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCO)[C@H]2C1 ZINC001084961252 758141641 /nfs/dbraw/zinc/14/16/41/758141641.db2.gz VOBUYUGEYZZLCQ-IKGGRYGDSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC001098570336 762691559 /nfs/dbraw/zinc/69/15/59/762691559.db2.gz HTBQINMXXBXYNU-HOTGVXAUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001098570335 762691705 /nfs/dbraw/zinc/69/17/05/762691705.db2.gz HTBQINMXXBXYNU-CVEARBPZSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCO)CC1 ZINC001085987201 759546801 /nfs/dbraw/zinc/54/68/01/759546801.db2.gz WTWZONGFWZNOPF-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124447 760437701 /nfs/dbraw/zinc/43/77/01/760437701.db2.gz IDTDMWYTOINXKR-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292806 767959835 /nfs/dbraw/zinc/95/98/35/767959835.db2.gz UPCMOJMWTSGXHE-HOTGVXAUSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292806 767959842 /nfs/dbraw/zinc/95/98/42/767959842.db2.gz UPCMOJMWTSGXHE-HOTGVXAUSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001148292806 767959848 /nfs/dbraw/zinc/95/98/48/767959848.db2.gz UPCMOJMWTSGXHE-HOTGVXAUSA-N 2 1 319.449 0.368 20 30 DCEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001108775592 761042120 /nfs/dbraw/zinc/04/21/20/761042120.db2.gz DIFMGZGEJWHNIT-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097378 761083021 /nfs/dbraw/zinc/08/30/21/761083021.db2.gz OUXGQOCXIBKZGK-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097378 761083031 /nfs/dbraw/zinc/08/30/31/761083031.db2.gz OUXGQOCXIBKZGK-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097378 761083037 /nfs/dbraw/zinc/08/30/37/761083037.db2.gz OUXGQOCXIBKZGK-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097378 761083043 /nfs/dbraw/zinc/08/30/43/761083043.db2.gz OUXGQOCXIBKZGK-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369567 761099465 /nfs/dbraw/zinc/09/94/65/761099465.db2.gz ASGLXFBTKDGUCI-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369567 761099475 /nfs/dbraw/zinc/09/94/75/761099475.db2.gz ASGLXFBTKDGUCI-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369567 761099485 /nfs/dbraw/zinc/09/94/85/761099485.db2.gz ASGLXFBTKDGUCI-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369567 761099497 /nfs/dbraw/zinc/09/94/97/761099497.db2.gz ASGLXFBTKDGUCI-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672616 761505248 /nfs/dbraw/zinc/50/52/48/761505248.db2.gz MZAMFLKERGGGFV-KBXIAJHMSA-N 2 1 322.453 0.350 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672616 761505253 /nfs/dbraw/zinc/50/52/53/761505253.db2.gz MZAMFLKERGGGFV-KBXIAJHMSA-N 2 1 322.453 0.350 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090434819 761666420 /nfs/dbraw/zinc/66/64/20/761666420.db2.gz BRYWFOZGHFEOGH-JKSUJKDBSA-N 2 1 312.373 0.523 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090434819 761666424 /nfs/dbraw/zinc/66/64/24/761666424.db2.gz BRYWFOZGHFEOGH-JKSUJKDBSA-N 2 1 312.373 0.523 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598552 762909573 /nfs/dbraw/zinc/90/95/73/762909573.db2.gz GFQVWAFIYPNWQK-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598552 762909576 /nfs/dbraw/zinc/90/95/76/762909576.db2.gz GFQVWAFIYPNWQK-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598552 762909578 /nfs/dbraw/zinc/90/95/78/762909578.db2.gz GFQVWAFIYPNWQK-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598552 762909581 /nfs/dbraw/zinc/90/95/81/762909581.db2.gz GFQVWAFIYPNWQK-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1scnc1C ZINC001129762057 763001483 /nfs/dbraw/zinc/00/14/83/763001483.db2.gz FSGHEMYVQSNWGO-ZDUSSCGKSA-N 2 1 306.435 0.755 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1scnc1C ZINC001129762057 763001489 /nfs/dbraw/zinc/00/14/89/763001489.db2.gz FSGHEMYVQSNWGO-ZDUSSCGKSA-N 2 1 306.435 0.755 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075362 763115248 /nfs/dbraw/zinc/11/52/48/763115248.db2.gz UPRWRCAYPRVPEI-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938224 763142899 /nfs/dbraw/zinc/14/28/99/763142899.db2.gz SKAIAVKHHJBFMH-HOTGVXAUSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123442 763143124 /nfs/dbraw/zinc/14/31/24/763143124.db2.gz RFHISTFECSGKDO-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)O1 ZINC001130180233 763156728 /nfs/dbraw/zinc/15/67/28/763156728.db2.gz INDGISQHFLPUTO-NVXWUHKLSA-N 2 1 315.417 0.463 20 30 DCEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)O1 ZINC001130180233 763156733 /nfs/dbraw/zinc/15/67/33/763156733.db2.gz INDGISQHFLPUTO-NVXWUHKLSA-N 2 1 315.417 0.463 20 30 DCEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)O1 ZINC001130180727 763157650 /nfs/dbraw/zinc/15/76/50/763157650.db2.gz VWSMEXZLPPJNDH-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)O1 ZINC001130180727 763157656 /nfs/dbraw/zinc/15/76/56/763157656.db2.gz VWSMEXZLPPJNDH-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130423020 763296274 /nfs/dbraw/zinc/29/62/74/763296274.db2.gz HBXOSJCIBMFMDG-HIFRSBDPSA-N 2 1 317.437 0.789 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124596 763333998 /nfs/dbraw/zinc/33/39/98/763333998.db2.gz KQXOWQOQQUHWRS-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141540 763346915 /nfs/dbraw/zinc/34/69/15/763346915.db2.gz VPNMUBCELKDUIE-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605469 763677658 /nfs/dbraw/zinc/67/76/58/763677658.db2.gz DIPLAYKSOZWAJB-GPANFISMSA-N 2 1 307.438 0.603 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132409588 764447937 /nfs/dbraw/zinc/44/79/37/764447937.db2.gz BNVJLNOOKZIDEM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132409588 764447942 /nfs/dbraw/zinc/44/79/42/764447942.db2.gz BNVJLNOOKZIDEM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132409588 764447949 /nfs/dbraw/zinc/44/79/49/764447949.db2.gz BNVJLNOOKZIDEM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132409588 764447951 /nfs/dbraw/zinc/44/79/51/764447951.db2.gz BNVJLNOOKZIDEM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOCC)C[C@H]1C ZINC001102056128 764512473 /nfs/dbraw/zinc/51/24/73/764512473.db2.gz PHRAMSLESCGGPQ-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCC)C[C@H]1C ZINC001102056128 764512480 /nfs/dbraw/zinc/51/24/80/764512480.db2.gz PHRAMSLESCGGPQ-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCC)C[C@H]1C ZINC001102056128 764512484 /nfs/dbraw/zinc/51/24/84/764512484.db2.gz PHRAMSLESCGGPQ-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCC)C[C@H]1C ZINC001102056128 764512491 /nfs/dbraw/zinc/51/24/91/764512491.db2.gz PHRAMSLESCGGPQ-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156360 764538431 /nfs/dbraw/zinc/53/84/31/764538431.db2.gz PBOSUBWDOUDMFY-GDBMZVCRSA-N 2 1 318.421 0.525 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156360 764538439 /nfs/dbraw/zinc/53/84/39/764538439.db2.gz PBOSUBWDOUDMFY-GDBMZVCRSA-N 2 1 318.421 0.525 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001103724624 765112746 /nfs/dbraw/zinc/11/27/46/765112746.db2.gz MSAKQDZHBUQCMA-IXDOHACOSA-N 2 1 321.465 0.662 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124873280 768320667 /nfs/dbraw/zinc/32/06/67/768320667.db2.gz VLLTXDWVQWKNIH-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090625293 766390889 /nfs/dbraw/zinc/39/08/89/766390889.db2.gz STENJQITZAIPCK-JKSUJKDBSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)C[C@H]2O)CC1 ZINC001090831946 766649464 /nfs/dbraw/zinc/64/94/64/766649464.db2.gz XNEVZTIKSPOTCD-DLBZAZTESA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288288 767498606 /nfs/dbraw/zinc/49/86/06/767498606.db2.gz BIIWFKWYYBMYQU-ZHIXCNEBSA-N 2 1 319.449 0.746 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288288 767498612 /nfs/dbraw/zinc/49/86/12/767498612.db2.gz BIIWFKWYYBMYQU-ZHIXCNEBSA-N 2 1 319.449 0.746 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724223 767831216 /nfs/dbraw/zinc/83/12/16/767831216.db2.gz HZKFUOIUMDUNJV-INIZCTEOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093208871 768490914 /nfs/dbraw/zinc/49/09/14/768490914.db2.gz JOYNNXCZVMDACU-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093208871 768490917 /nfs/dbraw/zinc/49/09/17/768490917.db2.gz JOYNNXCZVMDACU-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093208871 768490920 /nfs/dbraw/zinc/49/09/20/768490920.db2.gz JOYNNXCZVMDACU-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093208871 768490922 /nfs/dbraw/zinc/49/09/22/768490922.db2.gz JOYNNXCZVMDACU-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150722889 769170469 /nfs/dbraw/zinc/17/04/69/769170469.db2.gz IESNGRGNBFSJNB-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150722889 769170472 /nfs/dbraw/zinc/17/04/72/769170472.db2.gz IESNGRGNBFSJNB-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP CN(C)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(F)c1C#N ZINC001234993924 769738577 /nfs/dbraw/zinc/73/85/77/769738577.db2.gz WKFHYDYNQIAVDR-QGZVFWFLSA-N 2 1 317.412 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565502 770127339 /nfs/dbraw/zinc/12/73/39/770127339.db2.gz VYEXSOHNNBCDDW-HUUCEWRRSA-N 2 1 324.469 0.505 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045271 770600240 /nfs/dbraw/zinc/60/02/40/770600240.db2.gz HRYHZKUQOPYMNZ-OAHLLOKOSA-N 2 1 322.453 0.096 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155743025 770606210 /nfs/dbraw/zinc/60/62/10/770606210.db2.gz BPRODEYATSZPFC-OAHLLOKOSA-N 2 1 319.453 0.908 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450733 771777871 /nfs/dbraw/zinc/77/78/71/771777871.db2.gz WODFEBRACJWLQX-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185722881 771949431 /nfs/dbraw/zinc/94/94/31/771949431.db2.gz DJTOGHBXUVTDPH-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159911025 771975539 /nfs/dbraw/zinc/97/55/39/771975539.db2.gz WHCNOANUJLMTLM-MRXNPFEDSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187276525 772158922 /nfs/dbraw/zinc/15/89/22/772158922.db2.gz MUULBWOBBVAOPI-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C[C@H]21 ZINC001161082846 772163193 /nfs/dbraw/zinc/16/31/93/772163193.db2.gz PLLGRJSHTHARSH-YESZJQIVSA-N 2 1 312.417 0.981 20 30 DCEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C[C@H]21 ZINC001161082843 772163555 /nfs/dbraw/zinc/16/35/55/772163555.db2.gz PLLGRJSHTHARSH-IXDOHACOSA-N 2 1 312.417 0.981 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001166677122 772838103 /nfs/dbraw/zinc/83/81/03/772838103.db2.gz FVXYCLKVEVXFLX-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166677721 772839354 /nfs/dbraw/zinc/83/93/54/772839354.db2.gz MATHZMNGVFYDSE-KBPBESRZSA-N 2 1 310.442 0.115 20 30 DCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950585 772847781 /nfs/dbraw/zinc/84/77/81/772847781.db2.gz VANPRPJLCYNYOR-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950585 772847784 /nfs/dbraw/zinc/84/77/84/772847784.db2.gz VANPRPJLCYNYOR-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191950585 772847787 /nfs/dbraw/zinc/84/77/87/772847787.db2.gz VANPRPJLCYNYOR-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191950585 772847790 /nfs/dbraw/zinc/84/77/90/772847790.db2.gz VANPRPJLCYNYOR-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191949200 772847921 /nfs/dbraw/zinc/84/79/21/772847921.db2.gz PJELKLOHRMEDEP-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191949200 772847923 /nfs/dbraw/zinc/84/79/23/772847923.db2.gz PJELKLOHRMEDEP-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191949200 772847926 /nfs/dbraw/zinc/84/79/26/772847926.db2.gz PJELKLOHRMEDEP-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191949200 772847929 /nfs/dbraw/zinc/84/79/29/772847929.db2.gz PJELKLOHRMEDEP-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204799006 772962789 /nfs/dbraw/zinc/96/27/89/772962789.db2.gz QHSHMWKWQSVWIV-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281568 773062358 /nfs/dbraw/zinc/06/23/58/773062358.db2.gz MGPBRQBCPSUGLR-NVXWUHKLSA-N 2 1 321.465 0.662 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992914 773159118 /nfs/dbraw/zinc/15/91/18/773159118.db2.gz MGSUXVLJBWJSSU-KBUPBQIOSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992914 773159119 /nfs/dbraw/zinc/15/91/19/773159119.db2.gz MGSUXVLJBWJSSU-KBUPBQIOSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992914 773159120 /nfs/dbraw/zinc/15/91/20/773159120.db2.gz MGSUXVLJBWJSSU-KBUPBQIOSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992914 773159122 /nfs/dbraw/zinc/15/91/22/773159122.db2.gz MGSUXVLJBWJSSU-KBUPBQIOSA-N 2 1 322.453 0.065 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCOC)C2)CC1 ZINC001194246911 773167614 /nfs/dbraw/zinc/16/76/14/773167614.db2.gz SWHFEIOXGILDDK-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982237 773299256 /nfs/dbraw/zinc/29/92/56/773299256.db2.gz DQBXIXHUFHETCQ-ZACQAIPSSA-N 2 1 321.465 0.988 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982880 773299683 /nfs/dbraw/zinc/29/96/83/773299683.db2.gz TZDMQPFZVCMRRC-HZPDHXFCSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208330748 773434804 /nfs/dbraw/zinc/43/48/04/773434804.db2.gz DQPQBIKAVNCKCR-CVEARBPZSA-N 2 1 319.453 0.970 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208340153 773436717 /nfs/dbraw/zinc/43/67/17/773436717.db2.gz JNBPYAYCQYQYFK-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208431946 773460614 /nfs/dbraw/zinc/46/06/14/773460614.db2.gz FCRSSHMPJYYNKX-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208431946 773460616 /nfs/dbraw/zinc/46/06/16/773460616.db2.gz FCRSSHMPJYYNKX-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209241993 773573743 /nfs/dbraw/zinc/57/37/43/773573743.db2.gz HUCNIVBNYNPPMH-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209241993 773573744 /nfs/dbraw/zinc/57/37/44/773573744.db2.gz HUCNIVBNYNPPMH-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209632212 773627234 /nfs/dbraw/zinc/62/72/34/773627234.db2.gz LFAFLOITQGYYJF-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213578774 773862886 /nfs/dbraw/zinc/86/28/86/773862886.db2.gz WFUSSOIXLNOBHM-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213578774 773862895 /nfs/dbraw/zinc/86/28/95/773862895.db2.gz WFUSSOIXLNOBHM-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730812 773879770 /nfs/dbraw/zinc/87/97/70/773879770.db2.gz YOFTZWRDOSFQPI-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216844399 774142371 /nfs/dbraw/zinc/14/23/71/774142371.db2.gz AXBZTJXVUFAIKD-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200549225 774366329 /nfs/dbraw/zinc/36/63/29/774366329.db2.gz ZVUXPGGCHHDMKA-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200806427 774411927 /nfs/dbraw/zinc/41/19/27/774411927.db2.gz PVLZZWRUDYGEKX-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864019 774560443 /nfs/dbraw/zinc/56/04/43/774560443.db2.gz RXDDUWBOHAOPFN-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864022 774560674 /nfs/dbraw/zinc/56/06/74/774560674.db2.gz RXDDUWBOHAOPFN-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202116133 774603323 /nfs/dbraw/zinc/60/33/23/774603323.db2.gz SNYWZEBEGOTFII-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202116133 774603326 /nfs/dbraw/zinc/60/33/26/774603326.db2.gz SNYWZEBEGOTFII-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220057723 774683788 /nfs/dbraw/zinc/68/37/88/774683788.db2.gz FBOSZNXFWNSZCY-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220057723 774683791 /nfs/dbraw/zinc/68/37/91/774683791.db2.gz FBOSZNXFWNSZCY-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072385 774688285 /nfs/dbraw/zinc/68/82/85/774688285.db2.gz TZDMQPFZVCMRRC-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCC)C[C@@H]2O)CC1 ZINC001221066415 774989238 /nfs/dbraw/zinc/98/92/38/774989238.db2.gz VKMDAPJILGYQCY-SJORKVTESA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001221461395 775112721 /nfs/dbraw/zinc/11/27/21/775112721.db2.gz ISIAPTZXMCRMJR-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001221461395 775112723 /nfs/dbraw/zinc/11/27/23/775112723.db2.gz ISIAPTZXMCRMJR-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001221461395 775112727 /nfs/dbraw/zinc/11/27/27/775112727.db2.gz ISIAPTZXMCRMJR-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001221461395 775112730 /nfs/dbraw/zinc/11/27/30/775112730.db2.gz ISIAPTZXMCRMJR-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001222612750 775396810 /nfs/dbraw/zinc/39/68/10/775396810.db2.gz KFVSBIXBRSWGEE-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCOC)CC1 ZINC001223494819 775495551 /nfs/dbraw/zinc/49/55/51/775495551.db2.gz BOGFLKGJTUNEHZ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCOC)CC1 ZINC001223494819 775495556 /nfs/dbraw/zinc/49/55/56/775495556.db2.gz BOGFLKGJTUNEHZ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001224855304 775613487 /nfs/dbraw/zinc/61/34/87/775613487.db2.gz MCYLZMUTNCXWGL-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001206603408 775896641 /nfs/dbraw/zinc/89/66/41/775896641.db2.gz OHTBIQNKRFVRIW-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114832519 776202899 /nfs/dbraw/zinc/20/28/99/776202899.db2.gz SNXDGWNVTPIUIG-AIANPOQGSA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001114832519 776202907 /nfs/dbraw/zinc/20/29/07/776202907.db2.gz SNXDGWNVTPIUIG-AIANPOQGSA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001114832519 776202916 /nfs/dbraw/zinc/20/29/16/776202916.db2.gz SNXDGWNVTPIUIG-AIANPOQGSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114851230 776254362 /nfs/dbraw/zinc/25/43/62/776254362.db2.gz ADVBENZBIGXVNJ-CBZIJGRNSA-N 2 1 319.449 0.557 20 30 DCEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167167 777103998 /nfs/dbraw/zinc/10/39/98/777103998.db2.gz KFJMOFLHVBVTPP-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167167 777103999 /nfs/dbraw/zinc/10/39/99/777103999.db2.gz KFJMOFLHVBVTPP-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167167 777104007 /nfs/dbraw/zinc/10/40/07/777104007.db2.gz KFJMOFLHVBVTPP-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167167 777104009 /nfs/dbraw/zinc/10/40/09/777104009.db2.gz KFJMOFLHVBVTPP-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042271087 777821171 /nfs/dbraw/zinc/82/11/71/777821171.db2.gz WGCDUUFBGRNPCE-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042271087 777821186 /nfs/dbraw/zinc/82/11/86/777821186.db2.gz WGCDUUFBGRNPCE-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001281816105 945101514 /nfs/dbraw/zinc/10/15/14/945101514.db2.gz CBSRWTXLGSDLBS-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001317637363 945132620 /nfs/dbraw/zinc/13/26/20/945132620.db2.gz XIFWACPZGCFVJQ-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317780266 945185180 /nfs/dbraw/zinc/18/51/80/945185180.db2.gz UGJUVTVXENFALX-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317780266 945185185 /nfs/dbraw/zinc/18/51/85/945185185.db2.gz UGJUVTVXENFALX-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317780266 945185191 /nfs/dbraw/zinc/18/51/91/945185191.db2.gz UGJUVTVXENFALX-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001317810982 945193931 /nfs/dbraw/zinc/19/39/31/945193931.db2.gz HPDOXRODSBYTQZ-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266326710 939075682 /nfs/dbraw/zinc/07/56/82/939075682.db2.gz IKWSZPDGITXTHR-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266326710 939075688 /nfs/dbraw/zinc/07/56/88/939075688.db2.gz IKWSZPDGITXTHR-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266326710 939075693 /nfs/dbraw/zinc/07/56/93/939075693.db2.gz IKWSZPDGITXTHR-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266326710 939075698 /nfs/dbraw/zinc/07/56/98/939075698.db2.gz IKWSZPDGITXTHR-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCC[C@@H](C)O)CC1 ZINC001266362861 939096148 /nfs/dbraw/zinc/09/61/48/939096148.db2.gz XWTZFQCNXPHCQE-OAHLLOKOSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001279490306 939220609 /nfs/dbraw/zinc/22/06/09/939220609.db2.gz LXXFVYKPFYSYIC-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001279490306 939220610 /nfs/dbraw/zinc/22/06/10/939220610.db2.gz LXXFVYKPFYSYIC-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001279490306 939220612 /nfs/dbraw/zinc/22/06/12/939220612.db2.gz LXXFVYKPFYSYIC-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267044534 939322023 /nfs/dbraw/zinc/32/20/23/939322023.db2.gz JLJOEKSOEVNLCS-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267194507 939381619 /nfs/dbraw/zinc/38/16/19/939381619.db2.gz QXMYGNSVYMZANN-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267225985 939394456 /nfs/dbraw/zinc/39/44/56/939394456.db2.gz JPLPBLSYQOTLFI-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267225985 939394459 /nfs/dbraw/zinc/39/44/59/939394459.db2.gz JPLPBLSYQOTLFI-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267225985 939394462 /nfs/dbraw/zinc/39/44/62/939394462.db2.gz JPLPBLSYQOTLFI-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267225985 939394464 /nfs/dbraw/zinc/39/44/64/939394464.db2.gz JPLPBLSYQOTLFI-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001267484869 939474823 /nfs/dbraw/zinc/47/48/23/939474823.db2.gz QDEJEKLBDQFZOB-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267570653 939511215 /nfs/dbraw/zinc/51/12/15/939511215.db2.gz QYOUBOAPXYWFSN-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001481069880 939547254 /nfs/dbraw/zinc/54/72/54/939547254.db2.gz CGENZOIDJPEXQZ-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC1CCCC1 ZINC001279731775 939601071 /nfs/dbraw/zinc/60/10/71/939601071.db2.gz ZVYUTSKCGZMWFT-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC1CCCC1 ZINC001279731775 939601073 /nfs/dbraw/zinc/60/10/73/939601073.db2.gz ZVYUTSKCGZMWFT-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCO)C1 ZINC001481977019 940198247 /nfs/dbraw/zinc/19/82/47/940198247.db2.gz OMZMGOSBCULKDE-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCO)C1 ZINC001481977019 940198250 /nfs/dbraw/zinc/19/82/50/940198250.db2.gz OMZMGOSBCULKDE-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273143260 945317205 /nfs/dbraw/zinc/31/72/05/945317205.db2.gz DQJWUHYQAIFVMP-QAPCUYQASA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273143260 945317214 /nfs/dbraw/zinc/31/72/14/945317214.db2.gz DQJWUHYQAIFVMP-QAPCUYQASA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273143260 945317219 /nfs/dbraw/zinc/31/72/19/945317219.db2.gz DQJWUHYQAIFVMP-QAPCUYQASA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273143260 945317229 /nfs/dbraw/zinc/31/72/29/945317229.db2.gz DQJWUHYQAIFVMP-QAPCUYQASA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCOCC)C1 ZINC001269250182 940661804 /nfs/dbraw/zinc/66/18/04/940661804.db2.gz AIKHZHZETRECPJ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cncn1C ZINC001269418250 940702774 /nfs/dbraw/zinc/70/27/74/940702774.db2.gz YYDSBWVGRQXVNA-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cncn1C ZINC001269418250 940702776 /nfs/dbraw/zinc/70/27/76/940702776.db2.gz YYDSBWVGRQXVNA-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCn1cccn1 ZINC001270995380 941237464 /nfs/dbraw/zinc/23/74/64/941237464.db2.gz JRZURCXYTCYQOF-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCn1cccn1 ZINC001270995380 941237466 /nfs/dbraw/zinc/23/74/66/941237466.db2.gz JRZURCXYTCYQOF-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001271873467 941470724 /nfs/dbraw/zinc/47/07/24/941470724.db2.gz HQKGUXWIMSFZKF-CALCHBBNSA-N 2 1 319.449 0.368 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001271972616 941496936 /nfs/dbraw/zinc/49/69/36/941496936.db2.gz CEXYWBDOPXSRRO-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001271972616 941496940 /nfs/dbraw/zinc/49/69/40/941496940.db2.gz CEXYWBDOPXSRRO-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271972616 941496942 /nfs/dbraw/zinc/49/69/42/941496942.db2.gz CEXYWBDOPXSRRO-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271972616 941496946 /nfs/dbraw/zinc/49/69/46/941496946.db2.gz CEXYWBDOPXSRRO-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001271984113 941500197 /nfs/dbraw/zinc/50/01/97/941500197.db2.gz YJRGELXPYAPVBR-BQFCYCMXSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001271984113 941500202 /nfs/dbraw/zinc/50/02/02/941500202.db2.gz YJRGELXPYAPVBR-BQFCYCMXSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001271984113 941500207 /nfs/dbraw/zinc/50/02/07/941500207.db2.gz YJRGELXPYAPVBR-BQFCYCMXSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001271984113 941500210 /nfs/dbraw/zinc/50/02/10/941500210.db2.gz YJRGELXPYAPVBR-BQFCYCMXSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccn(C)n1 ZINC001482841852 941686430 /nfs/dbraw/zinc/68/64/30/941686430.db2.gz OWJOMIWMVNDRJF-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccn(C)n1 ZINC001482841852 941686431 /nfs/dbraw/zinc/68/64/31/941686431.db2.gz OWJOMIWMVNDRJF-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668725 942448155 /nfs/dbraw/zinc/44/81/55/942448155.db2.gz CXEDJMQJLHJAOW-IXDOHACOSA-N 2 1 321.465 0.988 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001483819247 942964514 /nfs/dbraw/zinc/96/45/14/942964514.db2.gz HGEYYUDNHASORS-UHFFFAOYSA-N 2 1 318.421 0.915 20 30 DCEDMP C#CC[N@@H+](CCOC)C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001483819247 942964517 /nfs/dbraw/zinc/96/45/17/942964517.db2.gz HGEYYUDNHASORS-UHFFFAOYSA-N 2 1 318.421 0.915 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001483819247 942964523 /nfs/dbraw/zinc/96/45/23/942964523.db2.gz HGEYYUDNHASORS-UHFFFAOYSA-N 2 1 318.421 0.915 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001484436929 943382831 /nfs/dbraw/zinc/38/28/31/943382831.db2.gz KDMFHBSNDLWHBB-LZLYRXPVSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001484436929 943382839 /nfs/dbraw/zinc/38/28/39/943382839.db2.gz KDMFHBSNDLWHBB-LZLYRXPVSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001484436929 943382844 /nfs/dbraw/zinc/38/28/44/943382844.db2.gz KDMFHBSNDLWHBB-LZLYRXPVSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001484436929 943382850 /nfs/dbraw/zinc/38/28/50/943382850.db2.gz KDMFHBSNDLWHBB-LZLYRXPVSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484842245 943591387 /nfs/dbraw/zinc/59/13/87/943591387.db2.gz WNFJSWMOUIEZJE-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC001484993742 943649257 /nfs/dbraw/zinc/64/92/57/943649257.db2.gz DZSRKVRSZGRUOV-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC001484993742 943649259 /nfs/dbraw/zinc/64/92/59/943649259.db2.gz DZSRKVRSZGRUOV-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001490953658 943686540 /nfs/dbraw/zinc/68/65/40/943686540.db2.gz BGJNLNGTXOIMGR-LDKKBFSKSA-N 2 1 307.438 0.746 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001491036918 943722260 /nfs/dbraw/zinc/72/22/60/943722260.db2.gz YWFQPZQBAUSVJV-MCIONIFRSA-N 2 1 319.409 0.119 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001491177011 943805329 /nfs/dbraw/zinc/80/53/29/943805329.db2.gz KTVJSNAZVUKLHQ-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001485421563 943935488 /nfs/dbraw/zinc/93/54/88/943935488.db2.gz AURIJJCNPIJDMQ-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001485421563 943935492 /nfs/dbraw/zinc/93/54/92/943935492.db2.gz AURIJJCNPIJDMQ-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)C1=O ZINC001485524471 943983777 /nfs/dbraw/zinc/98/37/77/943983777.db2.gz YYNLLUYZBVWWLY-ZFWWWQNUSA-N 2 1 322.453 0.162 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC#CCOC)C2CC2)CC[N@H+]1C ZINC001276588523 944225295 /nfs/dbraw/zinc/22/52/95/944225295.db2.gz IWHZTGBNZMPPEW-GVDBMIGSSA-N 2 1 321.465 0.851 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276600373 944230706 /nfs/dbraw/zinc/23/07/06/944230706.db2.gz BURWEMHOQWXUEU-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276600373 944230714 /nfs/dbraw/zinc/23/07/14/944230714.db2.gz BURWEMHOQWXUEU-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC1CC1 ZINC001486280984 944691352 /nfs/dbraw/zinc/69/13/52/944691352.db2.gz LENYRRRCHQMDNE-CVEARBPZSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC1CC1 ZINC001486280984 944691357 /nfs/dbraw/zinc/69/13/57/944691357.db2.gz LENYRRRCHQMDNE-CVEARBPZSA-N 2 1 307.438 0.293 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317270821 944891565 /nfs/dbraw/zinc/89/15/65/944891565.db2.gz WOIWPHNNRRIDPU-UKRRQHHQSA-N 2 1 318.421 0.498 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN(CC)C(=O)C1 ZINC001246305032 945379681 /nfs/dbraw/zinc/37/96/81/945379681.db2.gz OCQHTSVYKXYIQF-KGLIPLIRSA-N 2 1 311.426 0.814 20 30 DCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001318731074 945435915 /nfs/dbraw/zinc/43/59/15/945435915.db2.gz XNNIVJUACGUFRI-RDJZCZTQSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001318731074 945435920 /nfs/dbraw/zinc/43/59/20/945435920.db2.gz XNNIVJUACGUFRI-RDJZCZTQSA-N 2 1 307.438 0.605 20 30 DCEDMP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CCN[C@H](C#N)C2)CCC12C[NH2+]C2 ZINC001247008244 945541021 /nfs/dbraw/zinc/54/10/21/945541021.db2.gz MUNLIWWMIUKYRN-MJBXVCDLSA-N 2 1 306.410 0.105 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#CCOC)CCCC1 ZINC001319384810 945574004 /nfs/dbraw/zinc/57/40/04/945574004.db2.gz DMINDQOPRVVNDM-UHFFFAOYSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001319707584 945651143 /nfs/dbraw/zinc/65/11/43/945651143.db2.gz FTRVMVUYIYAHKI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001319981431 945708602 /nfs/dbraw/zinc/70/86/02/945708602.db2.gz OFGTZPNCDAQFQC-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001319981431 945708610 /nfs/dbraw/zinc/70/86/10/945708610.db2.gz OFGTZPNCDAQFQC-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001319981431 945708620 /nfs/dbraw/zinc/70/86/20/945708620.db2.gz OFGTZPNCDAQFQC-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001319981431 945708624 /nfs/dbraw/zinc/70/86/24/945708624.db2.gz OFGTZPNCDAQFQC-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001320451265 945885895 /nfs/dbraw/zinc/88/58/95/945885895.db2.gz WFEQWHQEIPKXTG-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001278752517 946213332 /nfs/dbraw/zinc/21/33/32/946213332.db2.gz HIZJTOSQFVNZMH-ZDUSSCGKSA-N 2 1 310.348 0.980 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001278860218 946492508 /nfs/dbraw/zinc/49/25/08/946492508.db2.gz RECYCJMNUKYXPJ-IAGOWNOFSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001278860218 946492512 /nfs/dbraw/zinc/49/25/12/946492512.db2.gz RECYCJMNUKYXPJ-IAGOWNOFSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001278860218 946492516 /nfs/dbraw/zinc/49/25/16/946492516.db2.gz RECYCJMNUKYXPJ-IAGOWNOFSA-N 2 1 321.465 0.778 20 30 DCEDMP COCC#CCN(C)CCN(C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001278900044 946559145 /nfs/dbraw/zinc/55/91/45/946559145.db2.gz OYTQDGLBARCZCL-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001278900044 946559153 /nfs/dbraw/zinc/55/91/53/946559153.db2.gz OYTQDGLBARCZCL-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001278900044 946559162 /nfs/dbraw/zinc/55/91/62/946559162.db2.gz OYTQDGLBARCZCL-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001278900044 946559172 /nfs/dbraw/zinc/55/91/72/946559172.db2.gz OYTQDGLBARCZCL-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001411059454 947285681 /nfs/dbraw/zinc/28/56/81/947285681.db2.gz MFLYZNTXDQFYQP-STQMWFEESA-N 2 1 303.834 0.632 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCOCC1 ZINC001325003296 947605734 /nfs/dbraw/zinc/60/57/34/947605734.db2.gz RPIYSTYRWQEKSN-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001325097586 947649255 /nfs/dbraw/zinc/64/92/55/947649255.db2.gz MKSGZZBRWMRJQO-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001325097586 947649263 /nfs/dbraw/zinc/64/92/63/947649263.db2.gz MKSGZZBRWMRJQO-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1=O ZINC001262379723 947665506 /nfs/dbraw/zinc/66/55/06/947665506.db2.gz JYOCAZYRMVKKKR-XQLPTFJDSA-N 2 1 303.406 0.409 20 30 DCEDMP C#CCCC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273541443 947948594 /nfs/dbraw/zinc/94/85/94/947948594.db2.gz BBHFUVCKWKBLLA-KRWDZBQOSA-N 2 1 305.422 0.803 20 30 DCEDMP C=C(Cl)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001326021350 948022160 /nfs/dbraw/zinc/02/21/60/948022160.db2.gz HSKJJDZUXJEDHM-CHWSQXEVSA-N 2 1 303.834 0.490 20 30 DCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001328541400 948951529 /nfs/dbraw/zinc/95/15/29/948951529.db2.gz FZCINSISRZTJOS-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001264633079 949040807 /nfs/dbraw/zinc/04/08/07/949040807.db2.gz VARQYXACFVTPKK-JKSUJKDBSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001264633079 949040825 /nfs/dbraw/zinc/04/08/25/949040825.db2.gz VARQYXACFVTPKK-JKSUJKDBSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001264633079 949040844 /nfs/dbraw/zinc/04/08/44/949040844.db2.gz VARQYXACFVTPKK-JKSUJKDBSA-N 2 1 309.454 0.942 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001264636450 949048924 /nfs/dbraw/zinc/04/89/24/949048924.db2.gz TXVNAXIGJYKDJG-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001264636450 949048945 /nfs/dbraw/zinc/04/89/45/949048945.db2.gz TXVNAXIGJYKDJG-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001264636450 949048964 /nfs/dbraw/zinc/04/89/64/949048964.db2.gz TXVNAXIGJYKDJG-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001265200524 949429676 /nfs/dbraw/zinc/42/96/76/949429676.db2.gz STLYFTFOQSUPNG-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001265200524 949429692 /nfs/dbraw/zinc/42/96/92/949429692.db2.gz STLYFTFOQSUPNG-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001265288586 949555128 /nfs/dbraw/zinc/55/51/28/949555128.db2.gz WWRDOWDZMDRWII-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001265288586 949555137 /nfs/dbraw/zinc/55/51/37/949555137.db2.gz WWRDOWDZMDRWII-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001265288586 949555148 /nfs/dbraw/zinc/55/51/48/949555148.db2.gz WWRDOWDZMDRWII-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001265288586 949555154 /nfs/dbraw/zinc/55/51/54/949555154.db2.gz WWRDOWDZMDRWII-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001265357291 949624855 /nfs/dbraw/zinc/62/48/55/949624855.db2.gz XTDPGRWSAQPBIU-BMFZPTHFSA-N 2 1 307.438 0.461 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC[C@@H](C)O)CC1 ZINC001329621990 949725132 /nfs/dbraw/zinc/72/51/32/949725132.db2.gz ATGKSCHCRCOTAG-HZPDHXFCSA-N 2 1 323.481 0.929 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001265596772 949801246 /nfs/dbraw/zinc/80/12/46/949801246.db2.gz KAAAIFRUMMPIIB-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265596772 949801269 /nfs/dbraw/zinc/80/12/69/949801269.db2.gz KAAAIFRUMMPIIB-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265596772 949801293 /nfs/dbraw/zinc/80/12/93/949801293.db2.gz KAAAIFRUMMPIIB-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC#CCOC ZINC001266148880 950417915 /nfs/dbraw/zinc/41/79/15/950417915.db2.gz JWNNLKTVVSUDPG-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266154787 950426635 /nfs/dbraw/zinc/42/66/35/950426635.db2.gz FZPPPXWJARXAQA-KBPBESRZSA-N 2 1 310.442 0.257 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001279123260 950519125 /nfs/dbraw/zinc/51/91/25/950519125.db2.gz AYHHZGKPFPXBPY-GOEBONIOSA-N 2 1 318.421 0.525 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001279578551 950637103 /nfs/dbraw/zinc/63/71/03/950637103.db2.gz YYSXAPRVUITJTE-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001279578551 950637115 /nfs/dbraw/zinc/63/71/15/950637115.db2.gz YYSXAPRVUITJTE-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001279578551 950637131 /nfs/dbraw/zinc/63/71/31/950637131.db2.gz YYSXAPRVUITJTE-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001279578549 950637190 /nfs/dbraw/zinc/63/71/90/950637190.db2.gz YYSXAPRVUITJTE-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001279578549 950637205 /nfs/dbraw/zinc/63/72/05/950637205.db2.gz YYSXAPRVUITJTE-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001279578549 950637217 /nfs/dbraw/zinc/63/72/17/950637217.db2.gz YYSXAPRVUITJTE-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001280745278 951059839 /nfs/dbraw/zinc/05/98/39/951059839.db2.gz RVNNOWJOMHYSAI-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280745278 951059852 /nfs/dbraw/zinc/05/98/52/951059852.db2.gz RVNNOWJOMHYSAI-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280745278 951059865 /nfs/dbraw/zinc/05/98/65/951059865.db2.gz RVNNOWJOMHYSAI-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001331504495 951147309 /nfs/dbraw/zinc/14/73/09/951147309.db2.gz OWCGCTKYEPNGIS-TZMCWYRMSA-N 2 1 321.425 0.319 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001332649153 951744137 /nfs/dbraw/zinc/74/41/37/951744137.db2.gz YYTFGXQQZWEBAR-OAHLLOKOSA-N 2 1 309.454 0.942 20 30 DCEDMP COCC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001332941515 951858766 /nfs/dbraw/zinc/85/87/66/951858766.db2.gz XAGIYCLEVPPBBD-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001275135207 951969154 /nfs/dbraw/zinc/96/91/54/951969154.db2.gz GVSCQHFRBGNUBK-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001276116139 952921116 /nfs/dbraw/zinc/92/11/16/952921116.db2.gz IGCPGKQBWGQGJV-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001276116139 952921119 /nfs/dbraw/zinc/92/11/19/952921119.db2.gz IGCPGKQBWGQGJV-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC001338493216 953021017 /nfs/dbraw/zinc/02/10/17/953021017.db2.gz YOVNHECUSZSUIK-INIZCTEOSA-N 2 1 310.438 0.620 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001280793463 953040456 /nfs/dbraw/zinc/04/04/56/953040456.db2.gz KUZRCPRFIVLJIH-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001280793463 953040461 /nfs/dbraw/zinc/04/04/61/953040461.db2.gz KUZRCPRFIVLJIH-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001280793463 953040463 /nfs/dbraw/zinc/04/04/63/953040463.db2.gz KUZRCPRFIVLJIH-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH2+]CC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001340090484 953143387 /nfs/dbraw/zinc/14/33/87/953143387.db2.gz MIGVHQSVWBEUHF-UHFFFAOYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001282909357 953748439 /nfs/dbraw/zinc/74/84/39/953748439.db2.gz ABLFSFMDVDITFW-HUUCEWRRSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001283617889 954486641 /nfs/dbraw/zinc/48/66/41/954486641.db2.gz MYFUBPUSVBWGAF-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001284651956 955215190 /nfs/dbraw/zinc/21/51/90/955215190.db2.gz CUCLFCCEABQLBW-LSDHHAIUSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001284651956 955215200 /nfs/dbraw/zinc/21/52/00/955215200.db2.gz CUCLFCCEABQLBW-LSDHHAIUSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001284651955 955215632 /nfs/dbraw/zinc/21/56/32/955215632.db2.gz CUCLFCCEABQLBW-HUUCEWRRSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001284651955 955215639 /nfs/dbraw/zinc/21/56/39/955215639.db2.gz CUCLFCCEABQLBW-HUUCEWRRSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCNCC(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001357415109 957278883 /nfs/dbraw/zinc/27/88/83/957278883.db2.gz WANHSSWVSDLNMI-NVXWUHKLSA-N 2 1 315.417 0.615 20 30 DCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001316661794 958168630 /nfs/dbraw/zinc/16/86/30/958168630.db2.gz SBNMVKAXSDKJRV-JKSUJKDBSA-N 2 1 307.438 0.607 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001491808178 959319130 /nfs/dbraw/zinc/31/91/30/959319130.db2.gz HWXLDSYOAQUPBP-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001316750452 960310284 /nfs/dbraw/zinc/31/02/84/960310284.db2.gz RXEYDNQTJHTCGO-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001316750452 960310296 /nfs/dbraw/zinc/31/02/96/960310296.db2.gz RXEYDNQTJHTCGO-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001316750452 960310306 /nfs/dbraw/zinc/31/03/06/960310306.db2.gz RXEYDNQTJHTCGO-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394649894 993965853 /nfs/dbraw/zinc/96/58/53/993965853.db2.gz WNMLMEWMNLIKFP-MRXNPFEDSA-N 2 1 318.421 0.465 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001502571079 1015976388 /nfs/dbraw/zinc/97/63/88/1015976388.db2.gz XWHCNUYOPOIHDH-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001420131632 1001921111 /nfs/dbraw/zinc/92/11/11/1001921111.db2.gz CNKZVFNDQXUYCX-CHWSQXEVSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001420131652 1001922379 /nfs/dbraw/zinc/92/23/79/1001922379.db2.gz CNKZVFNDQXUYCX-STQMWFEESA-N 2 1 303.834 0.680 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001506065858 1016971310 /nfs/dbraw/zinc/97/13/10/1016971310.db2.gz XKNPRFFRQSZBOG-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001506065858 1016971321 /nfs/dbraw/zinc/97/13/21/1016971321.db2.gz XKNPRFFRQSZBOG-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001422342642 1009915048 /nfs/dbraw/zinc/91/50/48/1009915048.db2.gz OJZIINDBQUVQID-UONOGXRCSA-N 2 1 317.861 0.928 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001445144603 1011453206 /nfs/dbraw/zinc/45/32/06/1011453206.db2.gz AWJNSSYIIFTWII-CVEARBPZSA-N 2 1 316.405 0.219 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001506752172 1017505548 /nfs/dbraw/zinc/50/55/48/1017505548.db2.gz HUTUQBROEOOGAN-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001479812986 1017818081 /nfs/dbraw/zinc/81/80/81/1017818081.db2.gz VPRAYZQBJWPJRE-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001494657650 1017925196 /nfs/dbraw/zinc/92/51/96/1017925196.db2.gz FVFMRVBOTQLNSS-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001494657650 1017925172 /nfs/dbraw/zinc/92/51/72/1017925172.db2.gz FVFMRVBOTQLNSS-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001494657650 1017925179 /nfs/dbraw/zinc/92/51/79/1017925179.db2.gz FVFMRVBOTQLNSS-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001494657650 1017925188 /nfs/dbraw/zinc/92/51/88/1017925188.db2.gz FVFMRVBOTQLNSS-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001494862473 1018115279 /nfs/dbraw/zinc/11/52/79/1018115279.db2.gz GVZKEUKEHKJOJB-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001494862473 1018115287 /nfs/dbraw/zinc/11/52/87/1018115287.db2.gz GVZKEUKEHKJOJB-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001494862473 1018115291 /nfs/dbraw/zinc/11/52/91/1018115291.db2.gz GVZKEUKEHKJOJB-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001494862473 1018115296 /nfs/dbraw/zinc/11/52/96/1018115296.db2.gz GVZKEUKEHKJOJB-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001500288881 1018385154 /nfs/dbraw/zinc/38/51/54/1018385154.db2.gz DAGQWSACXGMOPF-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001500288881 1018385164 /nfs/dbraw/zinc/38/51/64/1018385164.db2.gz DAGQWSACXGMOPF-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCOCC)C2)CC1 ZINC001500292284 1018390394 /nfs/dbraw/zinc/39/03/94/1018390394.db2.gz HPHRPAVFYOSGRF-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495297966 1018451246 /nfs/dbraw/zinc/45/12/46/1018451246.db2.gz HJSXPISMNLUHKM-PBHICJAKSA-N 2 1 307.438 0.462 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001500594499 1018505070 /nfs/dbraw/zinc/50/50/70/1018505070.db2.gz RKGZSCQUCBQJDZ-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC001495508467 1018549348 /nfs/dbraw/zinc/54/93/48/1018549348.db2.gz JTCBBXDJICZVTF-KRWDZBQOSA-N 2 1 315.417 0.746 20 30 DCEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC001495508467 1018549365 /nfs/dbraw/zinc/54/93/65/1018549365.db2.gz JTCBBXDJICZVTF-KRWDZBQOSA-N 2 1 315.417 0.746 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001495578488 1018583277 /nfs/dbraw/zinc/58/32/77/1018583277.db2.gz UIVIUVFTMGNXQL-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001495682957 1018648049 /nfs/dbraw/zinc/64/80/49/1018648049.db2.gz NHSMYMKKPPLXKN-ZBFHGGJFSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001495682957 1018648059 /nfs/dbraw/zinc/64/80/59/1018648059.db2.gz NHSMYMKKPPLXKN-ZBFHGGJFSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CC(C)C)C2)CC1 ZINC001500982806 1018783310 /nfs/dbraw/zinc/78/33/10/1018783310.db2.gz YHZLYJCQMXFOID-UHFFFAOYSA-N 2 1 307.438 0.151 20 30 DCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001501342250 1019072838 /nfs/dbraw/zinc/07/28/38/1019072838.db2.gz WOBLNXRRTAJLQP-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001501342250 1019072849 /nfs/dbraw/zinc/07/28/49/1019072849.db2.gz WOBLNXRRTAJLQP-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001501342250 1019072864 /nfs/dbraw/zinc/07/28/64/1019072864.db2.gz WOBLNXRRTAJLQP-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001501342250 1019072880 /nfs/dbraw/zinc/07/28/80/1019072880.db2.gz WOBLNXRRTAJLQP-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CN(C)CC#CCOC ZINC001498456924 1019135579 /nfs/dbraw/zinc/13/55/79/1019135579.db2.gz QOPMGJDFVBEBNT-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC#CCOC ZINC001498456924 1019135584 /nfs/dbraw/zinc/13/55/84/1019135584.db2.gz QOPMGJDFVBEBNT-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC#CCOC ZINC001498456924 1019135592 /nfs/dbraw/zinc/13/55/92/1019135592.db2.gz QOPMGJDFVBEBNT-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC#CCOC ZINC001498456924 1019135604 /nfs/dbraw/zinc/13/56/04/1019135604.db2.gz QOPMGJDFVBEBNT-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)OC)CC1 ZINC001498457929 1019139688 /nfs/dbraw/zinc/13/96/88/1019139688.db2.gz VFMVVSGZUZORCE-GJZGRUSLSA-N 2 1 309.454 0.803 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Cl)cn1 ZINC000179562345 237247574 /nfs/dbraw/zinc/24/75/74/237247574.db2.gz YSXAZUVPZOHMKQ-UHFFFAOYSA-N 2 1 311.817 0.862 20 30 DCEDMP CN(C(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000181463384 237262744 /nfs/dbraw/zinc/26/27/44/237262744.db2.gz LIOKRVUIWNKGNX-INIZCTEOSA-N 2 1 302.422 0.815 20 30 DCEDMP CN(C)C(=[NH+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)N(C)C ZINC000264072963 238188413 /nfs/dbraw/zinc/18/84/13/238188413.db2.gz DQQRZLCPTYDGOJ-MRXNPFEDSA-N 2 1 304.438 0.885 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNc1ccccn1 ZINC000264106095 238189816 /nfs/dbraw/zinc/18/98/16/238189816.db2.gz NWGZDYYARNXUPX-UHFFFAOYSA-N 2 1 306.414 0.120 20 30 DCEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000262547827 532965187 /nfs/dbraw/zinc/96/51/87/532965187.db2.gz WCUORDUVLWSWEB-LBPRGKRZSA-N 2 1 321.425 0.676 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000491619394 533104224 /nfs/dbraw/zinc/10/42/24/533104224.db2.gz AYCZEJQZKFETBV-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000491619394 533104227 /nfs/dbraw/zinc/10/42/27/533104227.db2.gz AYCZEJQZKFETBV-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000491619394 533104231 /nfs/dbraw/zinc/10/42/31/533104231.db2.gz AYCZEJQZKFETBV-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000491252349 533104511 /nfs/dbraw/zinc/10/45/11/533104511.db2.gz HNVAWSYPMLOPJC-HNNXBMFYSA-N 2 1 312.483 0.678 20 30 DCEDMP C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C1=CC[NH+](C)CC1 ZINC000329280730 396841697 /nfs/dbraw/zinc/84/16/97/396841697.db2.gz DRIMCZXOBJXKMS-ZFWWWQNUSA-N 2 1 309.458 0.386 20 30 DCEDMP C[C@H](NC(=O)NC[C@H]1C[NH+](C)CCN1C)C1=CC[N@H+](C)CC1 ZINC000329280730 396841700 /nfs/dbraw/zinc/84/17/00/396841700.db2.gz DRIMCZXOBJXKMS-ZFWWWQNUSA-N 2 1 309.458 0.386 20 30 DCEDMP C[C@H](NC(=O)NC[C@H]1C[NH+](C)CCN1C)C1=CC[N@@H+](C)CC1 ZINC000329280730 396841702 /nfs/dbraw/zinc/84/17/02/396841702.db2.gz DRIMCZXOBJXKMS-ZFWWWQNUSA-N 2 1 309.458 0.386 20 30 DCEDMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cnc(C#N)n1 ZINC000591766587 397000501 /nfs/dbraw/zinc/00/05/01/397000501.db2.gz JRVXXESCTVYVEW-HNNXBMFYSA-N 2 1 314.393 0.232 20 30 DCEDMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cnc(C#N)n1 ZINC000591766587 397000502 /nfs/dbraw/zinc/00/05/02/397000502.db2.gz JRVXXESCTVYVEW-HNNXBMFYSA-N 2 1 314.393 0.232 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000592493858 397193012 /nfs/dbraw/zinc/19/30/12/397193012.db2.gz CAQQBCBARFYRCL-QWHCGFSZSA-N 2 1 324.425 0.074 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000592493858 397193016 /nfs/dbraw/zinc/19/30/16/397193016.db2.gz CAQQBCBARFYRCL-QWHCGFSZSA-N 2 1 324.425 0.074 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441061 397551120 /nfs/dbraw/zinc/55/11/20/397551120.db2.gz LWCXIOUIEAPXJW-LSDHHAIUSA-N 2 1 310.442 0.871 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000329850730 416192196 /nfs/dbraw/zinc/19/21/96/416192196.db2.gz SNJWKBJGXKDVBW-HIFRSBDPSA-N 2 1 311.426 0.774 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000329850730 416192199 /nfs/dbraw/zinc/19/21/99/416192199.db2.gz SNJWKBJGXKDVBW-HIFRSBDPSA-N 2 1 311.426 0.774 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000491266131 416591901 /nfs/dbraw/zinc/59/19/01/416591901.db2.gz NUZPIMITMTVWFQ-INIZCTEOSA-N 2 1 324.469 0.334 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000490894063 416580166 /nfs/dbraw/zinc/58/01/66/416580166.db2.gz ZIBDTKQFSJEBQR-UHFFFAOYSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]1 ZINC000662705825 417862404 /nfs/dbraw/zinc/86/24/04/417862404.db2.gz RGGOZRRKYYGTIG-RHSMWYFYSA-N 2 1 322.453 0.388 20 30 DCEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662737464 417880416 /nfs/dbraw/zinc/88/04/16/417880416.db2.gz ZOVXPSZDLHLHEU-MAUKXSAKSA-N 3 1 320.481 0.969 20 30 DCEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662737464 417880420 /nfs/dbraw/zinc/88/04/20/417880420.db2.gz ZOVXPSZDLHLHEU-MAUKXSAKSA-N 3 1 320.481 0.969 20 30 DCEDMP C=CC[C@]1(C(=O)N(C)CCC[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000662792170 417905530 /nfs/dbraw/zinc/90/55/30/417905530.db2.gz ZRSIHIOTYQCKNV-QGZVFWFLSA-N 2 1 308.470 0.781 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179082862 275733271 /nfs/dbraw/zinc/73/32/71/275733271.db2.gz LFPMSKFBWKVHAU-GJZGRUSLSA-N 2 1 310.442 0.395 20 30 DCEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347041568 276100436 /nfs/dbraw/zinc/10/04/36/276100436.db2.gz ZBJITMGIKVSQLX-OAHLLOKOSA-N 2 1 322.453 0.982 20 30 DCEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347041568 276100437 /nfs/dbraw/zinc/10/04/37/276100437.db2.gz ZBJITMGIKVSQLX-OAHLLOKOSA-N 2 1 322.453 0.982 20 30 DCEDMP C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261747856 526345817 /nfs/dbraw/zinc/34/58/17/526345817.db2.gz LNAIIWKZYJODKR-UKRRQHHQSA-N 2 1 321.469 0.647 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261843721 526371224 /nfs/dbraw/zinc/37/12/24/526371224.db2.gz WWVIKNNAUJGKRU-ZFWWWQNUSA-N 2 1 320.441 0.321 20 30 DCEDMP C[NH+]=C(NC[C@H](C)SC)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261851611 526374595 /nfs/dbraw/zinc/37/45/95/526374595.db2.gz XHTQUHMSWBLUOR-UONOGXRCSA-N 2 1 314.499 0.967 20 30 DCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC(O)CC1 ZINC000262830712 526378225 /nfs/dbraw/zinc/37/82/25/526378225.db2.gz ZSOKVWLUSBTOSN-CQSZACIVSA-N 2 1 300.472 0.456 20 30 DCEDMP C[NH+]=C(NCc1nnc2n1CCCC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262785154 526392834 /nfs/dbraw/zinc/39/28/34/526392834.db2.gz MBTIYLWANBAGFK-LBPRGKRZSA-N 2 1 317.441 0.516 20 30 DCEDMP C[NH+]=C(NCc1nnc2n1CCCC2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262785154 526392836 /nfs/dbraw/zinc/39/28/36/526392836.db2.gz MBTIYLWANBAGFK-LBPRGKRZSA-N 2 1 317.441 0.516 20 30 DCEDMP C=C(Cl)CNC(=[NH+]C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261842427 526884364 /nfs/dbraw/zinc/88/43/64/526884364.db2.gz WKBJLPVMBRXCKB-ZDUSSCGKSA-N 2 1 300.834 0.968 20 30 DCEDMP CC[NH+]=C(NCC1(O)CCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261761589 528803877 /nfs/dbraw/zinc/80/38/77/528803877.db2.gz OJMDXCHZLFHNET-OAHLLOKOSA-N 2 1 324.469 0.521 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001671934879 1175045367 /nfs/dbraw/zinc/04/53/67/1175045367.db2.gz MGSZHEFTGLIEJI-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977958878 660462328 /nfs/dbraw/zinc/46/23/28/660462328.db2.gz WFFBTDLZTNTVLE-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977958878 660462330 /nfs/dbraw/zinc/46/23/30/660462330.db2.gz WFFBTDLZTNTVLE-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977958878 660462332 /nfs/dbraw/zinc/46/23/32/660462332.db2.gz WFFBTDLZTNTVLE-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977958878 660462333 /nfs/dbraw/zinc/46/23/33/660462333.db2.gz WFFBTDLZTNTVLE-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=C)C)C[C@H]21 ZINC000978281133 660516171 /nfs/dbraw/zinc/51/61/71/660516171.db2.gz KPXSILHFGGBPKS-NXOAAHMSSA-N 2 1 301.434 0.954 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=C)C)C[C@H]21 ZINC000978281133 660516173 /nfs/dbraw/zinc/51/61/73/660516173.db2.gz KPXSILHFGGBPKS-NXOAAHMSSA-N 2 1 301.434 0.954 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=C)C)C[C@H]21 ZINC000978281133 660516174 /nfs/dbraw/zinc/51/61/74/660516174.db2.gz KPXSILHFGGBPKS-NXOAAHMSSA-N 2 1 301.434 0.954 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=C)C)C[C@H]21 ZINC000978281133 660516177 /nfs/dbraw/zinc/51/61/77/660516177.db2.gz KPXSILHFGGBPKS-NXOAAHMSSA-N 2 1 301.434 0.954 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCOC)C[C@H]32)CC1 ZINC000979086053 660659315 /nfs/dbraw/zinc/65/93/15/660659315.db2.gz HFPUVKPGOAASKS-OSYLJGHBSA-N 2 1 319.449 0.272 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001027929499 660934989 /nfs/dbraw/zinc/93/49/89/660934989.db2.gz GLFREOKZWWEPEZ-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001027929499 660934990 /nfs/dbraw/zinc/93/49/90/660934990.db2.gz GLFREOKZWWEPEZ-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027929499 660934994 /nfs/dbraw/zinc/93/49/94/660934994.db2.gz GLFREOKZWWEPEZ-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001027929499 660934995 /nfs/dbraw/zinc/93/49/95/660934995.db2.gz GLFREOKZWWEPEZ-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981686574 661194997 /nfs/dbraw/zinc/19/49/97/661194997.db2.gz UEUFKZSUEARYNI-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981686574 661194999 /nfs/dbraw/zinc/19/49/99/661194999.db2.gz UEUFKZSUEARYNI-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686574 661195001 /nfs/dbraw/zinc/19/50/01/661195001.db2.gz UEUFKZSUEARYNI-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686574 661195003 /nfs/dbraw/zinc/19/50/03/661195003.db2.gz UEUFKZSUEARYNI-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153602 657507860 /nfs/dbraw/zinc/50/78/60/657507860.db2.gz LCMMKIFJSXZIIX-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153602 657507866 /nfs/dbraw/zinc/50/78/66/657507866.db2.gz LCMMKIFJSXZIIX-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153602 657507869 /nfs/dbraw/zinc/50/78/69/657507869.db2.gz LCMMKIFJSXZIIX-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153602 657507873 /nfs/dbraw/zinc/50/78/73/657507873.db2.gz LCMMKIFJSXZIIX-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(NCC(=O)N(C)C)=[NH+]C1CC1 ZINC000262348616 657629357 /nfs/dbraw/zinc/62/93/57/657629357.db2.gz YJDNGJBBQKSEMY-RISCZKNCSA-N 2 1 307.442 0.255 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC000969594987 658012899 /nfs/dbraw/zinc/01/28/99/658012899.db2.gz FGVKZOBQKFJXMY-QLFBSQMISA-N 2 1 320.437 0.058 20 30 DCEDMP C[NH+]=C(NCC1(O)CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262761762 658205557 /nfs/dbraw/zinc/20/55/57/658205557.db2.gz DLRZZOAQYGECSD-OAHLLOKOSA-N 2 1 324.469 0.521 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001023757868 658210562 /nfs/dbraw/zinc/21/05/62/658210562.db2.gz PIACNYPSAITNQD-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023757868 658210568 /nfs/dbraw/zinc/21/05/68/658210568.db2.gz PIACNYPSAITNQD-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757868 658210574 /nfs/dbraw/zinc/21/05/74/658210574.db2.gz PIACNYPSAITNQD-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757868 658210581 /nfs/dbraw/zinc/21/05/81/658210581.db2.gz PIACNYPSAITNQD-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757868 658210587 /nfs/dbraw/zinc/21/05/87/658210587.db2.gz PIACNYPSAITNQD-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041841826 658393866 /nfs/dbraw/zinc/39/38/66/658393866.db2.gz VICCAWHKTGGICS-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041841826 658393876 /nfs/dbraw/zinc/39/38/76/658393876.db2.gz VICCAWHKTGGICS-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841826 658393885 /nfs/dbraw/zinc/39/38/85/658393885.db2.gz VICCAWHKTGGICS-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841826 658393894 /nfs/dbraw/zinc/39/38/94/658393894.db2.gz VICCAWHKTGGICS-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001024506553 658671864 /nfs/dbraw/zinc/67/18/64/658671864.db2.gz MZFAOQCFNFBUDQ-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506553 658671868 /nfs/dbraw/zinc/67/18/68/658671868.db2.gz MZFAOQCFNFBUDQ-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506553 658671870 /nfs/dbraw/zinc/67/18/70/658671870.db2.gz MZFAOQCFNFBUDQ-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506553 658671874 /nfs/dbraw/zinc/67/18/74/658671874.db2.gz MZFAOQCFNFBUDQ-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970170218 658687868 /nfs/dbraw/zinc/68/78/68/658687868.db2.gz QJAJVTIODZKTIE-KDWRMLKXSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999351168 665634036 /nfs/dbraw/zinc/63/40/36/665634036.db2.gz DDERXRXLRFKJRI-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498517 659627403 /nfs/dbraw/zinc/62/74/03/659627403.db2.gz HMHMFKAGGZHLFN-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001027498517 659627406 /nfs/dbraw/zinc/62/74/06/659627406.db2.gz HMHMFKAGGZHLFN-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001027498517 659627409 /nfs/dbraw/zinc/62/74/09/659627409.db2.gz HMHMFKAGGZHLFN-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498915 659628992 /nfs/dbraw/zinc/62/89/92/659628992.db2.gz QIMYGYNQSWIXFF-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001027498915 659628993 /nfs/dbraw/zinc/62/89/93/659628993.db2.gz QIMYGYNQSWIXFF-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001027498915 659628994 /nfs/dbraw/zinc/62/89/94/659628994.db2.gz QIMYGYNQSWIXFF-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP CNC(=O)C(C)(C)CNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261691952 661423360 /nfs/dbraw/zinc/42/33/60/661423360.db2.gz FGRNAHKYCAUBCE-WCQYABFASA-N 2 1 309.458 0.406 20 30 DCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982557117 661566633 /nfs/dbraw/zinc/56/66/33/661566633.db2.gz KLVCGEBFSPPDGL-AHCXZYCDSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982557117 661566634 /nfs/dbraw/zinc/56/66/34/661566634.db2.gz KLVCGEBFSPPDGL-AHCXZYCDSA-N 2 1 303.450 0.988 20 30 DCEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040135707 662508333 /nfs/dbraw/zinc/50/83/33/662508333.db2.gz ATFWFNZEWPRVLR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040135707 662508334 /nfs/dbraw/zinc/50/83/34/662508334.db2.gz ATFWFNZEWPRVLR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040135707 662508335 /nfs/dbraw/zinc/50/83/35/662508335.db2.gz ATFWFNZEWPRVLR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040135707 662508337 /nfs/dbraw/zinc/50/83/37/662508337.db2.gz ATFWFNZEWPRVLR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971973 665892423 /nfs/dbraw/zinc/89/24/23/665892423.db2.gz GWXJIAIHDSDROV-HZPDHXFCSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971973 665892424 /nfs/dbraw/zinc/89/24/24/665892424.db2.gz GWXJIAIHDSDROV-HZPDHXFCSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971973 665892427 /nfs/dbraw/zinc/89/24/27/665892427.db2.gz GWXJIAIHDSDROV-HZPDHXFCSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971973 665892430 /nfs/dbraw/zinc/89/24/30/665892430.db2.gz GWXJIAIHDSDROV-HZPDHXFCSA-N 2 1 321.465 0.946 20 30 DCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705535 664641446 /nfs/dbraw/zinc/64/14/46/664641446.db2.gz CYEQUQKFARQKKF-GNHJJJEISA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705535 664641447 /nfs/dbraw/zinc/64/14/47/664641447.db2.gz CYEQUQKFARQKKF-GNHJJJEISA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992120271 664665179 /nfs/dbraw/zinc/66/51/79/664665179.db2.gz AMUPQZWXTDSXFA-JFIYKMOQSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992120271 664665180 /nfs/dbraw/zinc/66/51/80/664665180.db2.gz AMUPQZWXTDSXFA-JFIYKMOQSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992120271 664665181 /nfs/dbraw/zinc/66/51/81/664665181.db2.gz AMUPQZWXTDSXFA-JFIYKMOQSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992120271 664665183 /nfs/dbraw/zinc/66/51/83/664665183.db2.gz AMUPQZWXTDSXFA-JFIYKMOQSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997723411 665327836 /nfs/dbraw/zinc/32/78/36/665327836.db2.gz AAASSDPNWCWBEO-DOTOQJQBSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997723411 665327838 /nfs/dbraw/zinc/32/78/38/665327838.db2.gz AAASSDPNWCWBEO-DOTOQJQBSA-N 2 1 321.465 0.946 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000941512541 666012528 /nfs/dbraw/zinc/01/25/28/666012528.db2.gz MURZWVZXUXPHLR-UHFFFAOYSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941638500 666033197 /nfs/dbraw/zinc/03/31/97/666033197.db2.gz GBLIKSIKZZLWAJ-INIZCTEOSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941638500 666033198 /nfs/dbraw/zinc/03/31/98/666033198.db2.gz GBLIKSIKZZLWAJ-INIZCTEOSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](C)O)CC1 ZINC001001491887 666060660 /nfs/dbraw/zinc/06/06/60/666060660.db2.gz MDYQXXSZXSVKEF-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](C)O)CC1 ZINC001001491887 666060661 /nfs/dbraw/zinc/06/06/61/666060661.db2.gz MDYQXXSZXSVKEF-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCN1CC[C@H](N2CC[C@H](NC(=O)[C@H]3CCCN3C)C2)C1=O ZINC001032828536 666231473 /nfs/dbraw/zinc/23/14/73/666231473.db2.gz GTMWDRFEAVVAOK-ZNMIVQPWSA-N 2 1 320.437 0.058 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691196242 1157610936 /nfs/dbraw/zinc/61/09/36/1157610936.db2.gz IJPRMHRQSIRNQL-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691196242 1157610941 /nfs/dbraw/zinc/61/09/41/1157610941.db2.gz IJPRMHRQSIRNQL-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001032837209 666288922 /nfs/dbraw/zinc/28/89/22/666288922.db2.gz KDOQPRQQWLFMPK-IKGGRYGDSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC001033682131 666793490 /nfs/dbraw/zinc/79/34/90/666793490.db2.gz ACDJLHJIXRAXGK-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907978 666865630 /nfs/dbraw/zinc/86/56/30/666865630.db2.gz WJKCBZSJIWTJCE-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033907978 666865634 /nfs/dbraw/zinc/86/56/34/666865634.db2.gz WJKCBZSJIWTJCE-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033907978 666865638 /nfs/dbraw/zinc/86/56/38/666865638.db2.gz WJKCBZSJIWTJCE-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034534194 667061179 /nfs/dbraw/zinc/06/11/79/667061179.db2.gz JIIFMMMVOUPQFE-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034534194 667061181 /nfs/dbraw/zinc/06/11/81/667061181.db2.gz JIIFMMMVOUPQFE-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034534194 667061182 /nfs/dbraw/zinc/06/11/82/667061182.db2.gz JIIFMMMVOUPQFE-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034534194 667061184 /nfs/dbraw/zinc/06/11/84/667061184.db2.gz JIIFMMMVOUPQFE-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035394084 667321790 /nfs/dbraw/zinc/32/17/90/667321790.db2.gz LRUJBIAAGMTPLC-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035394084 667321793 /nfs/dbraw/zinc/32/17/93/667321793.db2.gz LRUJBIAAGMTPLC-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035394084 667321795 /nfs/dbraw/zinc/32/17/95/667321795.db2.gz LRUJBIAAGMTPLC-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035394084 667321797 /nfs/dbraw/zinc/32/17/97/667321797.db2.gz LRUJBIAAGMTPLC-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000923556720 667563301 /nfs/dbraw/zinc/56/33/01/667563301.db2.gz YWLIEQFBSQQSED-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000923556720 667563303 /nfs/dbraw/zinc/56/33/03/667563303.db2.gz YWLIEQFBSQQSED-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000890363445 668120195 /nfs/dbraw/zinc/12/01/95/668120195.db2.gz OVUZQLWHVHFNDG-ARFHVFGLSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000890363445 668120198 /nfs/dbraw/zinc/12/01/98/668120198.db2.gz OVUZQLWHVHFNDG-ARFHVFGLSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000890363445 668120201 /nfs/dbraw/zinc/12/02/01/668120201.db2.gz OVUZQLWHVHFNDG-ARFHVFGLSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000890363445 668120203 /nfs/dbraw/zinc/12/02/03/668120203.db2.gz OVUZQLWHVHFNDG-ARFHVFGLSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000890371194 668123671 /nfs/dbraw/zinc/12/36/71/668123671.db2.gz OQPHRXGDZFXLGP-HOCLYGCPSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000890371194 668123673 /nfs/dbraw/zinc/12/36/73/668123673.db2.gz OQPHRXGDZFXLGP-HOCLYGCPSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000890371194 668123674 /nfs/dbraw/zinc/12/36/74/668123674.db2.gz OQPHRXGDZFXLGP-HOCLYGCPSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000890371194 668123676 /nfs/dbraw/zinc/12/36/76/668123676.db2.gz OQPHRXGDZFXLGP-HOCLYGCPSA-N 2 1 304.438 0.962 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000876910291 668533910 /nfs/dbraw/zinc/53/39/10/668533910.db2.gz WLMFIBMGZWSART-LBPRGKRZSA-N 2 1 311.817 0.975 20 30 DCEDMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H]2CCC[C@H]21 ZINC000796816090 669943075 /nfs/dbraw/zinc/94/30/75/669943075.db2.gz JMZRJEQWSDAGSY-VOYJBQKSSA-N 2 1 318.421 0.975 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000798291860 669996550 /nfs/dbraw/zinc/99/65/50/669996550.db2.gz YIUCBNMDAGWBEK-UHFFFAOYSA-N 2 1 322.453 0.261 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000798291860 669996554 /nfs/dbraw/zinc/99/65/54/669996554.db2.gz YIUCBNMDAGWBEK-UHFFFAOYSA-N 2 1 322.453 0.261 20 30 DCEDMP C=CCC[NH+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000951636214 670323965 /nfs/dbraw/zinc/32/39/65/670323965.db2.gz ZYRCOORIHIMVIA-UHFFFAOYSA-N 2 1 305.426 0.779 20 30 DCEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949526459 670362332 /nfs/dbraw/zinc/36/23/32/670362332.db2.gz VJLVRPSCIKGUIT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526459 670362336 /nfs/dbraw/zinc/36/23/36/670362336.db2.gz VJLVRPSCIKGUIT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526459 670362337 /nfs/dbraw/zinc/36/23/37/670362337.db2.gz VJLVRPSCIKGUIT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526459 670362341 /nfs/dbraw/zinc/36/23/41/670362341.db2.gz VJLVRPSCIKGUIT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000852867885 671180396 /nfs/dbraw/zinc/18/03/96/671180396.db2.gz GDNLRAQYTFKWOJ-IRXDYDNUSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000843269471 672077785 /nfs/dbraw/zinc/07/77/85/672077785.db2.gz NOHZTBBTHHCEAK-GJZGRUSLSA-N 2 1 305.422 0.801 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000303876868 685207127 /nfs/dbraw/zinc/20/71/27/685207127.db2.gz FBWSKWUXIIBXBE-CVEARBPZSA-N 3 1 324.517 0.401 20 30 DCEDMP N#Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(F)c1 ZINC000304756158 685211483 /nfs/dbraw/zinc/21/14/83/685211483.db2.gz NLLGEHXSGIDWPM-UHFFFAOYSA-N 2 1 319.384 0.824 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215592 687447245 /nfs/dbraw/zinc/44/72/45/687447245.db2.gz XFOMJZVHJUKHFF-HOTGVXAUSA-N 2 1 321.465 0.990 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257992 687486107 /nfs/dbraw/zinc/48/61/07/687486107.db2.gz MFNYJFWYMDFDCC-JSGCOSHPSA-N 2 1 300.362 0.543 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958263101 687491887 /nfs/dbraw/zinc/49/18/87/687491887.db2.gz NQBPRDDICJGYBR-GDBMZVCRSA-N 2 1 314.389 0.933 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC000958345747 687567025 /nfs/dbraw/zinc/56/70/25/687567025.db2.gz RHIJWFKEVUTRGP-HUUCEWRRSA-N 2 1 321.421 0.940 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374031 687596748 /nfs/dbraw/zinc/59/67/48/687596748.db2.gz LGZKCWMCRJEREZ-HZPDHXFCSA-N 2 1 309.454 0.703 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374029 687596875 /nfs/dbraw/zinc/59/68/75/687596875.db2.gz LGZKCWMCRJEREZ-HOTGVXAUSA-N 2 1 309.454 0.703 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958556563 687744823 /nfs/dbraw/zinc/74/48/23/687744823.db2.gz TXUCZETYZSBJRO-DLBZAZTESA-N 2 1 321.465 0.539 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959950122 688267747 /nfs/dbraw/zinc/26/77/47/688267747.db2.gz FOHSPKBLVAHODU-FOLVSLTJSA-N 2 1 317.437 0.681 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961284258 688587376 /nfs/dbraw/zinc/58/73/76/688587376.db2.gz RULDUEZWCPVUSO-ZBKZBXIDSA-N 2 1 317.433 0.472 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961284258 688587379 /nfs/dbraw/zinc/58/73/79/688587379.db2.gz RULDUEZWCPVUSO-ZBKZBXIDSA-N 2 1 317.433 0.472 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961284258 688587384 /nfs/dbraw/zinc/58/73/84/688587384.db2.gz RULDUEZWCPVUSO-ZBKZBXIDSA-N 2 1 317.433 0.472 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000965925792 689584400 /nfs/dbraw/zinc/58/44/00/689584400.db2.gz QPDYCFPEKLVVJD-LETWWHAPSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000965925792 689584403 /nfs/dbraw/zinc/58/44/03/689584403.db2.gz QPDYCFPEKLVVJD-LETWWHAPSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001039115382 694306177 /nfs/dbraw/zinc/30/61/77/694306177.db2.gz JZEQRSBCLYWHNW-IRXDYDNUSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001039115382 694306183 /nfs/dbraw/zinc/30/61/83/694306183.db2.gz JZEQRSBCLYWHNW-IRXDYDNUSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039115382 694306186 /nfs/dbraw/zinc/30/61/86/694306186.db2.gz JZEQRSBCLYWHNW-IRXDYDNUSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039115382 694306191 /nfs/dbraw/zinc/30/61/91/694306191.db2.gz JZEQRSBCLYWHNW-IRXDYDNUSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001039393683 694355471 /nfs/dbraw/zinc/35/54/71/694355471.db2.gz MBRFMKXBFJZJTG-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001039393683 694355475 /nfs/dbraw/zinc/35/54/75/694355475.db2.gz MBRFMKXBFJZJTG-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001039393683 694355482 /nfs/dbraw/zinc/35/54/82/694355482.db2.gz MBRFMKXBFJZJTG-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001039393683 694355487 /nfs/dbraw/zinc/35/54/87/694355487.db2.gz MBRFMKXBFJZJTG-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCO ZINC000968894041 690416201 /nfs/dbraw/zinc/41/62/01/690416201.db2.gz YQLADLVUHPHAKV-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001425316 690544737 /nfs/dbraw/zinc/54/47/37/690544737.db2.gz NQDVGDCZAMZTQG-HOTGVXAUSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017747467 692974153 /nfs/dbraw/zinc/97/41/53/692974153.db2.gz DSNLXDHIGCXLMJ-SYGRHNPNSA-N 2 1 315.417 0.158 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433986 694726480 /nfs/dbraw/zinc/72/64/80/694726480.db2.gz YVFJNZZCUAAKGX-HNNXBMFYSA-N 2 1 305.422 0.122 20 30 DCEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760645 694661270 /nfs/dbraw/zinc/66/12/70/694661270.db2.gz JHDMEPUDKOZFIB-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760645 694661271 /nfs/dbraw/zinc/66/12/71/694661271.db2.gz JHDMEPUDKOZFIB-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760645 694661272 /nfs/dbraw/zinc/66/12/72/694661272.db2.gz JHDMEPUDKOZFIB-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760846 694661287 /nfs/dbraw/zinc/66/12/87/694661287.db2.gz QQJLZDULSNNPCZ-HUUCEWRRSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760846 694661288 /nfs/dbraw/zinc/66/12/88/694661288.db2.gz QQJLZDULSNNPCZ-HUUCEWRRSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760846 694661289 /nfs/dbraw/zinc/66/12/89/694661289.db2.gz QQJLZDULSNNPCZ-HUUCEWRRSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073443383 694727827 /nfs/dbraw/zinc/72/78/27/694727827.db2.gz MUKDZBLTPSBYRL-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073443383 694727829 /nfs/dbraw/zinc/72/78/29/694727829.db2.gz MUKDZBLTPSBYRL-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443383 694727830 /nfs/dbraw/zinc/72/78/30/694727830.db2.gz MUKDZBLTPSBYRL-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443383 694727832 /nfs/dbraw/zinc/72/78/32/694727832.db2.gz MUKDZBLTPSBYRL-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661690 694761551 /nfs/dbraw/zinc/76/15/51/694761551.db2.gz BSSQWVFYEJZVKO-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073661690 694761553 /nfs/dbraw/zinc/76/15/53/694761553.db2.gz BSSQWVFYEJZVKO-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001073661690 694761554 /nfs/dbraw/zinc/76/15/54/694761554.db2.gz BSSQWVFYEJZVKO-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407490 695020239 /nfs/dbraw/zinc/02/02/39/695020239.db2.gz HEZDJWRKTWFFKF-GOEBONIOSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001076604690 695032245 /nfs/dbraw/zinc/03/22/45/695032245.db2.gz RKZIFXPFCXFKRE-ZWKOTPCHSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)CC1 ZINC001076604433 695032252 /nfs/dbraw/zinc/03/22/52/695032252.db2.gz FHXZZHWXNLXORH-HYVNUMGLSA-N 2 1 319.449 0.245 20 30 DCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001570499270 1162531489 /nfs/dbraw/zinc/53/14/89/1162531489.db2.gz KHUWDTXCEUHHCQ-UHFFFAOYSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001570715420 1162596624 /nfs/dbraw/zinc/59/66/24/1162596624.db2.gz CKDLAPASXKSUMB-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001570715420 1162596635 /nfs/dbraw/zinc/59/66/35/1162596635.db2.gz CKDLAPASXKSUMB-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001570986513 1162660378 /nfs/dbraw/zinc/66/03/78/1162660378.db2.gz IOJSTNKTQHBQMY-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691146246 1157595962 /nfs/dbraw/zinc/59/59/62/1157595962.db2.gz QJYYVCWOIAFNJP-ZBFHGGJFSA-N 2 1 324.469 0.313 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001691196242 1157610932 /nfs/dbraw/zinc/61/09/32/1157610932.db2.gz IJPRMHRQSIRNQL-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691453127 1157778424 /nfs/dbraw/zinc/77/84/24/1157778424.db2.gz QHDUJPUHDARBRD-GASCZTMLSA-N 2 1 304.394 0.326 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001755051413 1157911904 /nfs/dbraw/zinc/91/19/04/1157911904.db2.gz UIQWHSVLYACGDT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001755051413 1157911911 /nfs/dbraw/zinc/91/19/11/1157911911.db2.gz UIQWHSVLYACGDT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001752434515 1157976932 /nfs/dbraw/zinc/97/69/32/1157976932.db2.gz GHJUWMKRTUPAJW-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001566125153 1159796518 /nfs/dbraw/zinc/79/65/18/1159796518.db2.gz XFINOJAIMYLQGC-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001566125153 1159796527 /nfs/dbraw/zinc/79/65/27/1159796527.db2.gz XFINOJAIMYLQGC-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566466283 1159994373 /nfs/dbraw/zinc/99/43/73/1159994373.db2.gz VFHVJINZBMTGRT-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001566466283 1159994377 /nfs/dbraw/zinc/99/43/77/1159994377.db2.gz VFHVJINZBMTGRT-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001566466283 1159994381 /nfs/dbraw/zinc/99/43/81/1159994381.db2.gz VFHVJINZBMTGRT-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOC(C)C)C1 ZINC001566766793 1160147261 /nfs/dbraw/zinc/14/72/61/1160147261.db2.gz QRGGFAUWRVQKOK-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOC(C)C)C1 ZINC001566766793 1160147265 /nfs/dbraw/zinc/14/72/65/1160147265.db2.gz QRGGFAUWRVQKOK-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001566929283 1160188469 /nfs/dbraw/zinc/18/84/69/1160188469.db2.gz XGLBFLXLZKMTPX-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001566929283 1160188473 /nfs/dbraw/zinc/18/84/73/1160188473.db2.gz XGLBFLXLZKMTPX-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001566929283 1160188478 /nfs/dbraw/zinc/18/84/78/1160188478.db2.gz XGLBFLXLZKMTPX-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001566929283 1160188486 /nfs/dbraw/zinc/18/84/86/1160188486.db2.gz XGLBFLXLZKMTPX-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001567399700 1160347497 /nfs/dbraw/zinc/34/74/97/1160347497.db2.gz CILLKBCCLMRYBF-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567399700 1160347503 /nfs/dbraw/zinc/34/75/03/1160347503.db2.gz CILLKBCCLMRYBF-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001567399700 1160347507 /nfs/dbraw/zinc/34/75/07/1160347507.db2.gz CILLKBCCLMRYBF-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)C[C@H](C)O)CC1 ZINC001567432242 1160362966 /nfs/dbraw/zinc/36/29/66/1160362966.db2.gz AJHNWLSFCYRIDG-HNNXBMFYSA-N 2 1 309.454 0.541 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567737526 1160469467 /nfs/dbraw/zinc/46/94/67/1160469467.db2.gz CTBZDTBLMDLYQR-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001568646154 1160721210 /nfs/dbraw/zinc/72/12/10/1160721210.db2.gz NNZIAWNTEINGEO-UONOGXRCSA-N 2 1 310.442 0.257 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001568711470 1160745924 /nfs/dbraw/zinc/74/59/24/1160745924.db2.gz FJHBBVPQBLFIRZ-CHWSQXEVSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001568711470 1160745927 /nfs/dbraw/zinc/74/59/27/1160745927.db2.gz FJHBBVPQBLFIRZ-CHWSQXEVSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001568711471 1160746631 /nfs/dbraw/zinc/74/66/31/1160746631.db2.gz FJHBBVPQBLFIRZ-OLZOCXBDSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001568711471 1160746637 /nfs/dbraw/zinc/74/66/37/1160746637.db2.gz FJHBBVPQBLFIRZ-OLZOCXBDSA-N 2 1 303.834 0.944 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001569567563 1161150709 /nfs/dbraw/zinc/15/07/09/1161150709.db2.gz YVFSMZUJJHVSDA-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCOCC1 ZINC001569730130 1161209660 /nfs/dbraw/zinc/20/96/60/1161209660.db2.gz DHJXCUMQJGYCSF-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001569879304 1161293042 /nfs/dbraw/zinc/29/30/42/1161293042.db2.gz VONOQFFPFTUFNM-IYBDPMFKSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001569937379 1161332799 /nfs/dbraw/zinc/33/27/99/1161332799.db2.gz UUIBNHNRAJAGCW-JKSUJKDBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC001570304724 1161556528 /nfs/dbraw/zinc/55/65/28/1161556528.db2.gz POAYRYPRZLQLSG-GJZGRUSLSA-N 2 1 307.438 0.605 20 30 DCEDMP C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1=CC[N@@H+](C)CC1 ZINC001576186692 1164262228 /nfs/dbraw/zinc/26/22/28/1164262228.db2.gz QJPOLCCABLIDQA-BUTPEJBISA-N 2 1 302.422 0.892 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001580044004 1165484544 /nfs/dbraw/zinc/48/45/44/1165484544.db2.gz VEKFEZUBJVZVET-QLFBSQMISA-N 2 1 305.426 0.662 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001663538093 1174316974 /nfs/dbraw/zinc/31/69/74/1174316974.db2.gz YAKOAZHHMJQMRK-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001663538093 1174316979 /nfs/dbraw/zinc/31/69/79/1174316979.db2.gz YAKOAZHHMJQMRK-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001666287391 1174597014 /nfs/dbraw/zinc/59/70/14/1174597014.db2.gz VOKOAPRWEJBTPC-QBPKDAKJSA-N 2 1 321.465 0.993 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001666563162 1174610822 /nfs/dbraw/zinc/61/08/22/1174610822.db2.gz IUZGYRMWAJBOHF-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001669974420 1174967345 /nfs/dbraw/zinc/96/73/45/1174967345.db2.gz VCTRENWRGVWAQH-DLBZAZTESA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001672002876 1175059046 /nfs/dbraw/zinc/05/90/46/1175059046.db2.gz AHZZJCAQDVVOQC-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001672002876 1175059054 /nfs/dbraw/zinc/05/90/54/1175059054.db2.gz AHZZJCAQDVVOQC-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001672002876 1175059062 /nfs/dbraw/zinc/05/90/62/1175059062.db2.gz AHZZJCAQDVVOQC-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001672434144 1175107598 /nfs/dbraw/zinc/10/75/98/1175107598.db2.gz UYLWCPUYADKXOG-YESZJQIVSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001672434144 1175107603 /nfs/dbraw/zinc/10/76/03/1175107603.db2.gz UYLWCPUYADKXOG-YESZJQIVSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001672434144 1175107609 /nfs/dbraw/zinc/10/76/09/1175107609.db2.gz UYLWCPUYADKXOG-YESZJQIVSA-N 2 1 319.449 0.368 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001672442754 1175108486 /nfs/dbraw/zinc/10/84/86/1175108486.db2.gz MHDVIPMWFWMIRX-QLFBSQMISA-N 2 1 322.453 0.019 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001672690258 1175144212 /nfs/dbraw/zinc/14/42/12/1175144212.db2.gz JLGXVZRAVRBSRI-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001674154458 1175261498 /nfs/dbraw/zinc/26/14/98/1175261498.db2.gz LGYRKWIIOYJHSQ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001674154458 1175261503 /nfs/dbraw/zinc/26/15/03/1175261503.db2.gz LGYRKWIIOYJHSQ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001674154458 1175261507 /nfs/dbraw/zinc/26/15/07/1175261507.db2.gz LGYRKWIIOYJHSQ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001674154458 1175261511 /nfs/dbraw/zinc/26/15/11/1175261511.db2.gz LGYRKWIIOYJHSQ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001676584412 1175464772 /nfs/dbraw/zinc/46/47/72/1175464772.db2.gz WOWWXGMTOJNNFS-XJKSGUPXSA-N 2 1 315.433 0.842 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001676614296 1175468277 /nfs/dbraw/zinc/46/82/77/1175468277.db2.gz BBPLKQXMSJLUHS-HZPDHXFCSA-N 2 1 303.406 0.379 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001677115912 1175529537 /nfs/dbraw/zinc/52/95/37/1175529537.db2.gz ATXVMVMXWAYLED-CZUORRHYSA-N 2 1 315.433 0.794 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001677173692 1175542507 /nfs/dbraw/zinc/54/25/07/1175542507.db2.gz AVDKQICQQOZMGA-MRXNPFEDSA-N 2 1 309.454 0.493 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001688950410 1176663263 /nfs/dbraw/zinc/66/32/63/1176663263.db2.gz ICGVVKLGLABSKL-AJNGGQMLSA-N 2 1 322.453 0.113 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001689316783 1176819144 /nfs/dbraw/zinc/81/91/44/1176819144.db2.gz JPODXJHMPJJLNE-IJEWVQPXSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001689316783 1176819153 /nfs/dbraw/zinc/81/91/53/1176819153.db2.gz JPODXJHMPJJLNE-IJEWVQPXSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001690029354 1177145619 /nfs/dbraw/zinc/14/56/19/1177145619.db2.gz CCBBFDSNEANJEN-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001690029354 1177145620 /nfs/dbraw/zinc/14/56/20/1177145620.db2.gz CCBBFDSNEANJEN-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001690434072 1177243053 /nfs/dbraw/zinc/24/30/53/1177243053.db2.gz OREDQFWXJQLVEW-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001690434072 1177243057 /nfs/dbraw/zinc/24/30/57/1177243057.db2.gz OREDQFWXJQLVEW-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001699654301 1178240878 /nfs/dbraw/zinc/24/08/78/1178240878.db2.gz KGIXZPQKNVIPLY-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001699823947 1178306620 /nfs/dbraw/zinc/30/66/20/1178306620.db2.gz BPJGTQUOZAYVAJ-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001699823947 1178306627 /nfs/dbraw/zinc/30/66/27/1178306627.db2.gz BPJGTQUOZAYVAJ-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001699823947 1178306634 /nfs/dbraw/zinc/30/66/34/1178306634.db2.gz BPJGTQUOZAYVAJ-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001699823947 1178306643 /nfs/dbraw/zinc/30/66/43/1178306643.db2.gz BPJGTQUOZAYVAJ-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001699859328 1178319830 /nfs/dbraw/zinc/31/98/30/1178319830.db2.gz SJXKAVVFKFDHFU-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001699906748 1178362223 /nfs/dbraw/zinc/36/22/23/1178362223.db2.gz JAKIHHRQZBGZDT-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC1(O)CN([C@H](C)CCC=C)C1 ZINC001699916006 1178374050 /nfs/dbraw/zinc/37/40/50/1178374050.db2.gz LHYGQNOVQWDHDY-CVEARBPZSA-N 2 1 319.449 0.602 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001699987860 1178407612 /nfs/dbraw/zinc/40/76/12/1178407612.db2.gz RGCVOAWNOQKAFJ-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001699987860 1178407615 /nfs/dbraw/zinc/40/76/15/1178407615.db2.gz RGCVOAWNOQKAFJ-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001699987860 1178407618 /nfs/dbraw/zinc/40/76/18/1178407618.db2.gz RGCVOAWNOQKAFJ-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001700016954 1178430389 /nfs/dbraw/zinc/43/03/89/1178430389.db2.gz LQEXHRVSZLFUAC-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700016954 1178430393 /nfs/dbraw/zinc/43/03/93/1178430393.db2.gz LQEXHRVSZLFUAC-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001700016954 1178430397 /nfs/dbraw/zinc/43/03/97/1178430397.db2.gz LQEXHRVSZLFUAC-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CCn2cncc2C1)CCOC ZINC001701003683 1178869873 /nfs/dbraw/zinc/86/98/73/1178869873.db2.gz QCGUBDIVIHCXEZ-HNNXBMFYSA-N 2 1 318.421 0.533 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)[C@H]1CCn2cncc2C1)CCOC ZINC001701003683 1178869885 /nfs/dbraw/zinc/86/98/85/1178869885.db2.gz QCGUBDIVIHCXEZ-HNNXBMFYSA-N 2 1 318.421 0.533 20 30 DCEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001707165289 1180425205 /nfs/dbraw/zinc/42/52/05/1180425205.db2.gz JNFYEUIFKHHXQE-PMPSAXMXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001707165289 1180425209 /nfs/dbraw/zinc/42/52/09/1180425209.db2.gz JNFYEUIFKHHXQE-PMPSAXMXSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001713075065 1180667891 /nfs/dbraw/zinc/66/78/91/1180667891.db2.gz RTNCCBQEYBQVDF-INIZCTEOSA-N 2 1 308.470 0.330 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001713159083 1180701548 /nfs/dbraw/zinc/70/15/48/1180701548.db2.gz OHTFURNHDDTEQI-KKUMJFAQSA-N 2 1 322.453 0.398 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001713216597 1180724564 /nfs/dbraw/zinc/72/45/64/1180724564.db2.gz JZFLHFYNSMFANJ-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001713216597 1180724573 /nfs/dbraw/zinc/72/45/73/1180724573.db2.gz JZFLHFYNSMFANJ-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713293510 1180754007 /nfs/dbraw/zinc/75/40/07/1180754007.db2.gz ZNZVZQYOPBVGMP-WLYUNCDWSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccn1 ZINC001713601646 1180959436 /nfs/dbraw/zinc/95/94/36/1180959436.db2.gz FZMHLSYYKBWSLU-INIZCTEOSA-N 2 1 300.406 0.727 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccn1 ZINC001713601646 1180959438 /nfs/dbraw/zinc/95/94/38/1180959438.db2.gz FZMHLSYYKBWSLU-INIZCTEOSA-N 2 1 300.406 0.727 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714151779 1181265622 /nfs/dbraw/zinc/26/56/22/1181265622.db2.gz UJMBEXSSJXJSMB-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cnns2)CC1 ZINC001714310053 1181315704 /nfs/dbraw/zinc/31/57/04/1181315704.db2.gz SKSMSXBMWATKNT-GFCCVEGCSA-N 2 1 321.450 0.478 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001714497931 1181392742 /nfs/dbraw/zinc/39/27/42/1181392742.db2.gz XDJOSPYKSSSHRS-UHFFFAOYSA-N 2 1 318.421 0.860 20 30 DCEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001715193391 1181713165 /nfs/dbraw/zinc/71/31/65/1181713165.db2.gz JLFJAHSKIIUMEZ-INIZCTEOSA-N 2 1 303.406 0.909 20 30 DCEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001715193391 1181713175 /nfs/dbraw/zinc/71/31/75/1181713175.db2.gz JLFJAHSKIIUMEZ-INIZCTEOSA-N 2 1 303.406 0.909 20 30 DCEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001715332297 1181775653 /nfs/dbraw/zinc/77/56/53/1181775653.db2.gz QGTJDHIMOVIBRP-SWLSCSKDSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001715332297 1181775662 /nfs/dbraw/zinc/77/56/62/1181775662.db2.gz QGTJDHIMOVIBRP-SWLSCSKDSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001715333510 1181777707 /nfs/dbraw/zinc/77/77/07/1181777707.db2.gz AGGUXLOQHYUVBB-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001715714982 1181954079 /nfs/dbraw/zinc/95/40/79/1181954079.db2.gz OSHXXPWUOPJISL-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001716003492 1182140225 /nfs/dbraw/zinc/14/02/25/1182140225.db2.gz PJCCXTYRBZZNKO-GJZGRUSLSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001716003492 1182140229 /nfs/dbraw/zinc/14/02/29/1182140229.db2.gz PJCCXTYRBZZNKO-GJZGRUSLSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001716003492 1182140234 /nfs/dbraw/zinc/14/02/34/1182140234.db2.gz PJCCXTYRBZZNKO-GJZGRUSLSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001716003492 1182140238 /nfs/dbraw/zinc/14/02/38/1182140238.db2.gz PJCCXTYRBZZNKO-GJZGRUSLSA-N 2 1 322.453 0.115 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716492126 1182411960 /nfs/dbraw/zinc/41/19/60/1182411960.db2.gz KHTFZTBHELEVDQ-PMPSAXMXSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716492126 1182411965 /nfs/dbraw/zinc/41/19/65/1182411965.db2.gz KHTFZTBHELEVDQ-PMPSAXMXSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716492126 1182411969 /nfs/dbraw/zinc/41/19/69/1182411969.db2.gz KHTFZTBHELEVDQ-PMPSAXMXSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716542439 1182433307 /nfs/dbraw/zinc/43/33/07/1182433307.db2.gz FFVPKXVOQPUOMU-RRFJBIMHSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001717176366 1182710686 /nfs/dbraw/zinc/71/06/86/1182710686.db2.gz WACHTVAZWKHOII-ZDUSSCGKSA-N 2 1 308.382 0.353 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001717268155 1182758097 /nfs/dbraw/zinc/75/80/97/1182758097.db2.gz OXYIOVXMGKYNHF-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2(CCO)C[NH+](C(C)C)C2)CC1 ZINC001717511199 1182876467 /nfs/dbraw/zinc/87/64/67/1182876467.db2.gz ZGHAIVHSFMAENK-UHFFFAOYSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001717942526 1183082793 /nfs/dbraw/zinc/08/27/93/1183082793.db2.gz UKYRVLRPZZFSTA-HNNXBMFYSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)N(C)CC ZINC001723043401 1184253937 /nfs/dbraw/zinc/25/39/37/1184253937.db2.gz JAKMOVJYMBMBPU-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)N(C)CC ZINC001723043401 1184253943 /nfs/dbraw/zinc/25/39/43/1184253943.db2.gz JAKMOVJYMBMBPU-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCO)C1 ZINC001724323977 1184411188 /nfs/dbraw/zinc/41/11/88/1184411188.db2.gz NHMXGGGVGWKRJV-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCO)C1 ZINC001724323977 1184411190 /nfs/dbraw/zinc/41/11/90/1184411190.db2.gz NHMXGGGVGWKRJV-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCCO)C1 ZINC001724323977 1184411193 /nfs/dbraw/zinc/41/11/93/1184411193.db2.gz NHMXGGGVGWKRJV-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCCO)C1 ZINC001724323977 1184411198 /nfs/dbraw/zinc/41/11/98/1184411198.db2.gz NHMXGGGVGWKRJV-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001724353415 1184412594 /nfs/dbraw/zinc/41/25/94/1184412594.db2.gz BKAYVWCXNPNULW-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001724370618 1184414587 /nfs/dbraw/zinc/41/45/87/1184414587.db2.gz VMVSLKSTMUOKTA-CQSZACIVSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001724370618 1184414590 /nfs/dbraw/zinc/41/45/90/1184414590.db2.gz VMVSLKSTMUOKTA-CQSZACIVSA-N 2 1 311.426 0.148 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CCCC=C)C2)CC1 ZINC001724487960 1184454591 /nfs/dbraw/zinc/45/45/91/1184454591.db2.gz BBDWBAMHSOISMA-UHFFFAOYSA-N 2 1 319.449 0.461 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001724907031 1184614037 /nfs/dbraw/zinc/61/40/37/1184614037.db2.gz FLPVACGEAPRLSE-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001725197203 1184718612 /nfs/dbraw/zinc/71/86/12/1184718612.db2.gz SUWATHHMSURCTH-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001725272085 1184746172 /nfs/dbraw/zinc/74/61/72/1184746172.db2.gz RIGJWOPPXLRWAF-GOEBONIOSA-N 2 1 309.454 0.659 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001725310413 1184764067 /nfs/dbraw/zinc/76/40/67/1184764067.db2.gz WFCLKLNPJSBHJA-LVQVYYBASA-N 2 1 309.429 0.984 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C(C)(C)C ZINC001725749949 1184981882 /nfs/dbraw/zinc/98/18/82/1184981882.db2.gz HUMXGCIEFURMAC-OAHLLOKOSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CCC[NH2+]CCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001731953934 1185602663 /nfs/dbraw/zinc/60/26/63/1185602663.db2.gz OSRBYCTYIBLUCT-UHFFFAOYSA-N 2 1 304.394 0.955 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001732061970 1185652146 /nfs/dbraw/zinc/65/21/46/1185652146.db2.gz YJTWHIQNYUKJLA-INIZCTEOSA-N 2 1 321.465 0.542 20 30 DCEDMP C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001732659956 1185902892 /nfs/dbraw/zinc/90/28/92/1185902892.db2.gz XJTAZIHGDPPOAZ-GDBMZVCRSA-N 2 1 320.437 0.787 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733417527 1186265852 /nfs/dbraw/zinc/26/58/52/1186265852.db2.gz KJDGKYJPVYQCPL-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733417527 1186265860 /nfs/dbraw/zinc/26/58/60/1186265860.db2.gz KJDGKYJPVYQCPL-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001733590003 1186349546 /nfs/dbraw/zinc/34/95/46/1186349546.db2.gz HWQZKEJDYYJLSB-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)O2 ZINC001733791958 1186450127 /nfs/dbraw/zinc/45/01/27/1186450127.db2.gz WRGPEEOSVMXIED-OAHLLOKOSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001733857822 1186478096 /nfs/dbraw/zinc/47/80/96/1186478096.db2.gz RBDSMHBODTVVRB-DZGCQCFKSA-N 2 1 304.394 0.278 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001733912983 1186494907 /nfs/dbraw/zinc/49/49/07/1186494907.db2.gz GEXHCBVUDBYYJW-HUUCEWRRSA-N 2 1 307.438 0.293 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC#CCOC ZINC001734039972 1186527806 /nfs/dbraw/zinc/52/78/06/1186527806.db2.gz VDMXHFRHLPNFPZ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC#CCOC ZINC001734039972 1186527813 /nfs/dbraw/zinc/52/78/13/1186527813.db2.gz VDMXHFRHLPNFPZ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC#CCOC ZINC001734039972 1186527816 /nfs/dbraw/zinc/52/78/16/1186527816.db2.gz VDMXHFRHLPNFPZ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001734294737 1186608766 /nfs/dbraw/zinc/60/87/66/1186608766.db2.gz FOTMZAAOSRAOLI-LSDHHAIUSA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C 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750312789 /nfs/dbraw/zinc/31/27/89/750312789.db2.gz NLNKFZCQRNPMGI-HZPDHXFCSA-N 2 1 312.373 0.441 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666013 751221588 /nfs/dbraw/zinc/22/15/88/751221588.db2.gz DYTPMFAAGLNERL-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045663973 753285012 /nfs/dbraw/zinc/28/50/12/753285012.db2.gz UDBBKXKBQMVJPH-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081906 753471715 /nfs/dbraw/zinc/47/17/15/753471715.db2.gz LRLPFBFTIYOGBZ-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081906 753471723 /nfs/dbraw/zinc/47/17/23/753471723.db2.gz LRLPFBFTIYOGBZ-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081906 753471727 /nfs/dbraw/zinc/47/17/27/753471727.db2.gz 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ZINC001047407143 754253789 /nfs/dbraw/zinc/25/37/89/754253789.db2.gz CZSZSWJEXMEGNB-ULQDDVLXSA-N 2 1 321.465 0.491 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001047407143 754253794 /nfs/dbraw/zinc/25/37/94/754253794.db2.gz CZSZSWJEXMEGNB-ULQDDVLXSA-N 2 1 321.465 0.491 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407510 754254967 /nfs/dbraw/zinc/25/49/67/754254967.db2.gz IUVSDPUCQKLIGT-IKGGRYGDSA-N 2 1 321.465 0.491 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407510 754254968 /nfs/dbraw/zinc/25/49/68/754254968.db2.gz IUVSDPUCQKLIGT-IKGGRYGDSA-N 2 1 321.465 0.491 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407510 754254969 /nfs/dbraw/zinc/25/49/69/754254969.db2.gz IUVSDPUCQKLIGT-IKGGRYGDSA-N 2 1 321.465 0.491 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001047408397 754256798 /nfs/dbraw/zinc/25/67/98/754256798.db2.gz WEYIRHMCJZXUQC-ILXRZTDVSA-N 2 1 318.421 0.840 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001047408397 754256805 /nfs/dbraw/zinc/25/68/05/754256805.db2.gz WEYIRHMCJZXUQC-ILXRZTDVSA-N 2 1 318.421 0.840 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553593 754386411 /nfs/dbraw/zinc/38/64/11/754386411.db2.gz NAHCBFKSYAEMMN-HOTGVXAUSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592631 754419067 /nfs/dbraw/zinc/41/90/67/754419067.db2.gz ZTGXPMYQJZKBCU-IRXDYDNUSA-N 2 1 321.465 0.798 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592631 754419070 /nfs/dbraw/zinc/41/90/70/754419070.db2.gz ZTGXPMYQJZKBCU-IRXDYDNUSA-N 2 1 321.465 0.798 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001048515101 754786116 /nfs/dbraw/zinc/78/61/16/754786116.db2.gz TVIKRQYMQHTRGW-QKPAOTATSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001048515101 754786120 /nfs/dbraw/zinc/78/61/20/754786120.db2.gz TVIKRQYMQHTRGW-QKPAOTATSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048515101 754786126 /nfs/dbraw/zinc/78/61/26/754786126.db2.gz TVIKRQYMQHTRGW-QKPAOTATSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048515101 754786131 /nfs/dbraw/zinc/78/61/31/754786131.db2.gz TVIKRQYMQHTRGW-QKPAOTATSA-N 2 1 307.438 0.862 20 30 DCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818231 754958543 /nfs/dbraw/zinc/95/85/43/754958543.db2.gz GKTQDWMEMHPGHQ-WCXIOVBPSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818231 754958546 /nfs/dbraw/zinc/95/85/46/754958546.db2.gz GKTQDWMEMHPGHQ-WCXIOVBPSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818231 754958549 /nfs/dbraw/zinc/95/85/49/754958549.db2.gz GKTQDWMEMHPGHQ-WCXIOVBPSA-N 2 1 301.434 0.884 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833487 754967284 /nfs/dbraw/zinc/96/72/84/754967284.db2.gz PLGBNDIALVFHFD-YYIAUSFCSA-N 2 1 319.449 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833487 754967290 /nfs/dbraw/zinc/96/72/90/754967290.db2.gz PLGBNDIALVFHFD-YYIAUSFCSA-N 2 1 319.449 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833487 754967296 /nfs/dbraw/zinc/96/72/96/754967296.db2.gz PLGBNDIALVFHFD-YYIAUSFCSA-N 2 1 319.449 0.816 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833949 754967428 /nfs/dbraw/zinc/96/74/28/754967428.db2.gz WBIRQEZWVQUZPH-TWMKSMIVSA-N 2 1 317.433 0.263 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833949 754967432 /nfs/dbraw/zinc/96/74/32/754967432.db2.gz WBIRQEZWVQUZPH-TWMKSMIVSA-N 2 1 317.433 0.263 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833949 754967437 /nfs/dbraw/zinc/96/74/37/754967437.db2.gz WBIRQEZWVQUZPH-TWMKSMIVSA-N 2 1 317.433 0.263 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891551 755001100 /nfs/dbraw/zinc/00/11/00/755001100.db2.gz PMSLGYLIVWAMAC-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891551 755001103 /nfs/dbraw/zinc/00/11/03/755001103.db2.gz PMSLGYLIVWAMAC-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891551 755001111 /nfs/dbraw/zinc/00/11/11/755001111.db2.gz PMSLGYLIVWAMAC-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891551 755001115 /nfs/dbraw/zinc/00/11/15/755001115.db2.gz PMSLGYLIVWAMAC-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC=C)C[C@@H]3C2)CC1 ZINC001049235792 755197154 /nfs/dbraw/zinc/19/71/54/755197154.db2.gz WBILCFOTBVDTNV-CALCHBBNSA-N 2 1 301.434 0.908 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001049903196 755441480 /nfs/dbraw/zinc/44/14/80/755441480.db2.gz WMELZDADJRVYAD-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001049903196 755441481 /nfs/dbraw/zinc/44/14/81/755441481.db2.gz WMELZDADJRVYAD-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053531904 756080256 /nfs/dbraw/zinc/08/02/56/756080256.db2.gz ZHPRUCVTWGKPND-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053531904 756080260 /nfs/dbraw/zinc/08/02/60/756080260.db2.gz ZHPRUCVTWGKPND-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC3(C[NH+](CC)C3)O2)CC1 ZINC001053699112 756151613 /nfs/dbraw/zinc/15/16/13/756151613.db2.gz AUVVSXATDUWGQY-MRXNPFEDSA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054007232 756329542 /nfs/dbraw/zinc/32/95/42/756329542.db2.gz BHQJMRRPQIWHOV-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054007232 756329548 /nfs/dbraw/zinc/32/95/48/756329548.db2.gz BHQJMRRPQIWHOV-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC001080998119 756417780 /nfs/dbraw/zinc/41/77/80/756417780.db2.gz SZIWDTQFPBHPAD-IIAWOOMASA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001081766766 756802759 /nfs/dbraw/zinc/80/27/59/756802759.db2.gz CFXLSEJUMYBSMJ-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766766 756802766 /nfs/dbraw/zinc/80/27/66/756802766.db2.gz CFXLSEJUMYBSMJ-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766766 756802772 /nfs/dbraw/zinc/80/27/72/756802772.db2.gz CFXLSEJUMYBSMJ-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066263 756916262 /nfs/dbraw/zinc/91/62/62/756916262.db2.gz ISDHWALXWZBNIS-CAOSSQGBSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066263 756916263 /nfs/dbraw/zinc/91/62/63/756916263.db2.gz ISDHWALXWZBNIS-CAOSSQGBSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066263 756916264 /nfs/dbraw/zinc/91/62/64/756916264.db2.gz ISDHWALXWZBNIS-CAOSSQGBSA-N 2 1 307.438 0.555 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392173 757352953 /nfs/dbraw/zinc/35/29/53/757352953.db2.gz QRUNPAAPNXSZQH-HUUCEWRRSA-N 2 1 307.438 0.742 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347623 757797422 /nfs/dbraw/zinc/79/74/22/757797422.db2.gz YILUZAMJDHXPRI-IXDOHACOSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371576 762656847 /nfs/dbraw/zinc/65/68/47/762656847.db2.gz ZANUUJRRGFBPNN-NVXWUHKLSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371576 762656851 /nfs/dbraw/zinc/65/68/51/762656851.db2.gz ZANUUJRRGFBPNN-NVXWUHKLSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371576 762656854 /nfs/dbraw/zinc/65/68/54/762656854.db2.gz ZANUUJRRGFBPNN-NVXWUHKLSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052491152 759448080 /nfs/dbraw/zinc/44/80/80/759448080.db2.gz YRVPPPMPLSRGDT-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052491152 759448085 /nfs/dbraw/zinc/44/80/85/759448085.db2.gz YRVPPPMPLSRGDT-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052491152 759448089 /nfs/dbraw/zinc/44/80/89/759448089.db2.gz YRVPPPMPLSRGDT-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052491152 759448095 /nfs/dbraw/zinc/44/80/95/759448095.db2.gz YRVPPPMPLSRGDT-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120638 759732341 /nfs/dbraw/zinc/73/23/41/759732341.db2.gz HEUSVSTYLLSMIL-YIYPIFLZSA-N 2 1 315.845 0.942 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120638 759732346 /nfs/dbraw/zinc/73/23/46/759732346.db2.gz HEUSVSTYLLSMIL-YIYPIFLZSA-N 2 1 315.845 0.942 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098451024 760304731 /nfs/dbraw/zinc/30/47/31/760304731.db2.gz SASNWWKLUHQJJW-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001098451024 760304739 /nfs/dbraw/zinc/30/47/39/760304739.db2.gz SASNWWKLUHQJJW-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001098451024 760304746 /nfs/dbraw/zinc/30/47/46/760304746.db2.gz SASNWWKLUHQJJW-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@H+](CC)CCO2)CC1 ZINC001108419397 760506238 /nfs/dbraw/zinc/50/62/38/760506238.db2.gz KFDJGUPKHNNMFM-KRWDZBQOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@@H+](CC)CCO2)CC1 ZINC001108419397 760506244 /nfs/dbraw/zinc/50/62/44/760506244.db2.gz KFDJGUPKHNNMFM-KRWDZBQOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563708 761318052 /nfs/dbraw/zinc/31/80/52/761318052.db2.gz HPIWJJOAFNFJGP-OFQRWUPVSA-N 2 1 317.437 0.442 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOC)C[C@@]2(C)C1 ZINC001091748194 768038717 /nfs/dbraw/zinc/03/87/17/768038717.db2.gz FBWQCSVPNITPNM-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOC)C[C@@]2(C)C1 ZINC001091748194 768038720 /nfs/dbraw/zinc/03/87/20/768038720.db2.gz FBWQCSVPNITPNM-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOC)C[C@@]2(C)C1 ZINC001091748194 768038721 /nfs/dbraw/zinc/03/87/21/768038721.db2.gz FBWQCSVPNITPNM-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOC)C[C@@]2(C)C1 ZINC001091748194 768038726 /nfs/dbraw/zinc/03/87/26/768038726.db2.gz FBWQCSVPNITPNM-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001070946938 761525008 /nfs/dbraw/zinc/52/50/08/761525008.db2.gz CKECUWFSVFNZSY-OAHLLOKOSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070946938 761525010 /nfs/dbraw/zinc/52/50/10/761525010.db2.gz CKECUWFSVFNZSY-OAHLLOKOSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001070946938 761525011 /nfs/dbraw/zinc/52/50/11/761525011.db2.gz CKECUWFSVFNZSY-OAHLLOKOSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001070946938 761525013 /nfs/dbraw/zinc/52/50/13/761525013.db2.gz CKECUWFSVFNZSY-OAHLLOKOSA-N 2 1 322.453 0.307 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001206031417 761641840 /nfs/dbraw/zinc/64/18/40/761641840.db2.gz QVZHONBCJODYAW-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001206031417 761641842 /nfs/dbraw/zinc/64/18/42/761641842.db2.gz QVZHONBCJODYAW-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430900 762940791 /nfs/dbraw/zinc/94/07/91/762940791.db2.gz ZJMPLGZIDIIHOF-INIZCTEOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnc(C)s1 ZINC001129770205 763007624 /nfs/dbraw/zinc/00/76/24/763007624.db2.gz CNBDTBQFCMWXIV-AWEZNQCLSA-N 2 1 306.435 0.755 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(OC)c1 ZINC001129771262 763008812 /nfs/dbraw/zinc/00/88/12/763008812.db2.gz UKJFDRLQCXGNEQ-KRWDZBQOSA-N 2 1 315.417 0.999 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(OC)c1 ZINC001129771262 763008819 /nfs/dbraw/zinc/00/88/19/763008819.db2.gz UKJFDRLQCXGNEQ-KRWDZBQOSA-N 2 1 315.417 0.999 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099918574 763124954 /nfs/dbraw/zinc/12/49/54/763124954.db2.gz NMNJYZHTLPXFAV-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099918574 763124957 /nfs/dbraw/zinc/12/49/57/763124957.db2.gz NMNJYZHTLPXFAV-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136997 763144913 /nfs/dbraw/zinc/14/49/13/763144913.db2.gz CYILOFBMAXXJTP-CABCVRRESA-N 2 1 320.441 0.536 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075932 763285166 /nfs/dbraw/zinc/28/51/66/763285166.db2.gz CKCUCBQOEHGBLG-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415189 763292665 /nfs/dbraw/zinc/29/26/65/763292665.db2.gz CSRNDRJHAJKSNB-CYBMUJFWSA-N 2 1 305.426 0.953 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127574 763335688 /nfs/dbraw/zinc/33/56/88/763335688.db2.gz WZKNLSBILPIWKU-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141541 763347538 /nfs/dbraw/zinc/34/75/38/763347538.db2.gz VPNMUBCELKDUIE-HOTGVXAUSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681694 763935175 /nfs/dbraw/zinc/93/51/75/763935175.db2.gz GPDHZGYXMHQPEO-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704110 763949362 /nfs/dbraw/zinc/94/93/62/763949362.db2.gz QPYVHDVZDWFZPZ-DOTOQJQBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704110 763949367 /nfs/dbraw/zinc/94/93/67/763949367.db2.gz QPYVHDVZDWFZPZ-DOTOQJQBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704110 763949374 /nfs/dbraw/zinc/94/93/74/763949374.db2.gz QPYVHDVZDWFZPZ-DOTOQJQBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131694116 763954490 /nfs/dbraw/zinc/95/44/90/763954490.db2.gz UOKFGHOMHZOQBW-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131694116 763954497 /nfs/dbraw/zinc/95/44/97/763954497.db2.gz UOKFGHOMHZOQBW-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131694116 763954503 /nfs/dbraw/zinc/95/45/03/763954503.db2.gz UOKFGHOMHZOQBW-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158509098 764148669 /nfs/dbraw/zinc/14/86/69/764148669.db2.gz ZAWUBKYUBYUALY-LSDHHAIUSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132369405 764410814 /nfs/dbraw/zinc/41/08/14/764410814.db2.gz WWXXCPOUBBZQRR-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132369405 764410820 /nfs/dbraw/zinc/41/08/20/764410820.db2.gz WWXXCPOUBBZQRR-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409909 764446641 /nfs/dbraw/zinc/44/66/41/764446641.db2.gz GSDIPBBSKQHUIS-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409909 764446650 /nfs/dbraw/zinc/44/66/50/764446650.db2.gz GSDIPBBSKQHUIS-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409909 764446657 /nfs/dbraw/zinc/44/66/57/764446657.db2.gz GSDIPBBSKQHUIS-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409909 764446663 /nfs/dbraw/zinc/44/66/63/764446663.db2.gz GSDIPBBSKQHUIS-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384879 764623650 /nfs/dbraw/zinc/62/36/50/764623650.db2.gz GQSGQYXMMVITGG-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514348 764675081 /nfs/dbraw/zinc/67/50/81/764675081.db2.gz UQNDASZSEHYERE-HZPDHXFCSA-N 2 1 321.465 0.969 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CCO)C[C@H]2C)CC1 ZINC001103752373 765120149 /nfs/dbraw/zinc/12/01/49/765120149.db2.gz CFQVVTFOMPADAU-NVXWUHKLSA-N 2 1 321.465 0.398 20 30 DCEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033930 765243666 /nfs/dbraw/zinc/24/36/66/765243666.db2.gz LSRNYJOCFSWYEO-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033930 765243669 /nfs/dbraw/zinc/24/36/69/765243669.db2.gz LSRNYJOCFSWYEO-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979608 765543357 /nfs/dbraw/zinc/54/33/57/765543357.db2.gz AFWSJFAMGMPYII-QLPKVWCKSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979608 765543364 /nfs/dbraw/zinc/54/33/64/765543364.db2.gz AFWSJFAMGMPYII-QLPKVWCKSA-N 2 1 307.438 0.721 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613097 765590102 /nfs/dbraw/zinc/59/01/02/765590102.db2.gz SDAGUAJJMXNRSQ-GJZGRUSLSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135680714 766039612 /nfs/dbraw/zinc/03/96/12/766039612.db2.gz ZVLLTGBTUSMMQX-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135680717 766041154 /nfs/dbraw/zinc/04/11/54/766041154.db2.gz ZVLLTGBTUSMMQX-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135992780 766199558 /nfs/dbraw/zinc/19/95/58/766199558.db2.gz VELKQRXDQNBZMU-CABCVRRESA-N 2 1 324.469 0.341 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135992782 766199853 /nfs/dbraw/zinc/19/98/53/766199853.db2.gz VELKQRXDQNBZMU-HUUCEWRRSA-N 2 1 324.469 0.341 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090542226 766305533 /nfs/dbraw/zinc/30/55/33/766305533.db2.gz BOLBLPHPCKLTEE-JKSUJKDBSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572632 766327553 /nfs/dbraw/zinc/32/75/53/766327553.db2.gz HFGVNQIWTDCMSL-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572632 766327560 /nfs/dbraw/zinc/32/75/60/766327560.db2.gz HFGVNQIWTDCMSL-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572632 766327567 /nfs/dbraw/zinc/32/75/67/766327567.db2.gz HFGVNQIWTDCMSL-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 ZINC001090765847 766569051 /nfs/dbraw/zinc/56/90/51/766569051.db2.gz YPSYAKCGTFTVSX-ZFWWWQNUSA-N 2 1 306.410 0.778 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001144285387 766854057 /nfs/dbraw/zinc/85/40/57/766854057.db2.gz NUQPPTUSEVSJCF-UHFFFAOYSA-N 2 1 324.469 0.507 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001144285387 766854069 /nfs/dbraw/zinc/85/40/69/766854069.db2.gz NUQPPTUSEVSJCF-UHFFFAOYSA-N 2 1 324.469 0.507 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2=O)C1 ZINC001094713448 769171373 /nfs/dbraw/zinc/17/13/73/769171373.db2.gz BFIRIEZZLCANJS-DZGCQCFKSA-N 2 1 320.437 0.058 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713448 769171380 /nfs/dbraw/zinc/17/13/80/769171380.db2.gz BFIRIEZZLCANJS-DZGCQCFKSA-N 2 1 320.437 0.058 20 30 DCEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001151749282 769414497 /nfs/dbraw/zinc/41/44/97/769414497.db2.gz UJLBWLIOOMTVJZ-AWEZNQCLSA-N 2 1 322.434 0.546 20 30 DCEDMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001151749282 769414500 /nfs/dbraw/zinc/41/45/00/769414500.db2.gz UJLBWLIOOMTVJZ-AWEZNQCLSA-N 2 1 322.434 0.546 20 30 DCEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551030 769598279 /nfs/dbraw/zinc/59/82/79/769598279.db2.gz KEEKCRJZBNHLRX-CABCVRRESA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551030 769598286 /nfs/dbraw/zinc/59/82/86/769598286.db2.gz KEEKCRJZBNHLRX-CABCVRRESA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152551030 769598291 /nfs/dbraw/zinc/59/82/91/769598291.db2.gz KEEKCRJZBNHLRX-CABCVRRESA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152551030 769598296 /nfs/dbraw/zinc/59/82/96/769598296.db2.gz KEEKCRJZBNHLRX-CABCVRRESA-N 2 1 313.442 0.346 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001150332945 769737408 /nfs/dbraw/zinc/73/74/08/769737408.db2.gz JNMQFFYBGXQTNN-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150332945 769737418 /nfs/dbraw/zinc/73/74/18/769737418.db2.gz JNMQFFYBGXQTNN-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150332945 769737424 /nfs/dbraw/zinc/73/74/24/769737424.db2.gz JNMQFFYBGXQTNN-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150332945 769737434 /nfs/dbraw/zinc/73/74/34/769737434.db2.gz JNMQFFYBGXQTNN-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154345200 770149313 /nfs/dbraw/zinc/14/93/13/770149313.db2.gz VMYUMTMCBBSTJG-OAHLLOKOSA-N 2 1 306.410 0.668 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154345200 770149324 /nfs/dbraw/zinc/14/93/24/770149324.db2.gz VMYUMTMCBBSTJG-OAHLLOKOSA-N 2 1 306.410 0.668 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904479 770334221 /nfs/dbraw/zinc/33/42/21/770334221.db2.gz UFBVMBQMLCESJK-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904479 770334234 /nfs/dbraw/zinc/33/42/34/770334234.db2.gz UFBVMBQMLCESJK-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](CC)OC)C1 ZINC001183353931 771637515 /nfs/dbraw/zinc/63/75/15/771637515.db2.gz HKQVTLKUONDLEZ-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](CC)OC)C1 ZINC001183353931 771637516 /nfs/dbraw/zinc/63/75/16/771637516.db2.gz HKQVTLKUONDLEZ-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157899800 771689048 /nfs/dbraw/zinc/68/90/48/771689048.db2.gz VTALKFRMMLJQLI-LSDHHAIUSA-N 2 1 324.469 0.646 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158029835 771715506 /nfs/dbraw/zinc/71/55/06/771715506.db2.gz LKOAKOXUWVQIRE-HUUCEWRRSA-N 2 1 322.453 0.259 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001158372570 771764822 /nfs/dbraw/zinc/76/48/22/771764822.db2.gz MGCPDPPGUTXCJL-KFWWJZLASA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001159997153 771986533 /nfs/dbraw/zinc/98/65/33/771986533.db2.gz IIMRRXQEQVIBEO-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC1CCC1 ZINC001160209616 772009687 /nfs/dbraw/zinc/00/96/87/772009687.db2.gz SJCWYBOMESYDRB-KRWDZBQOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC1CCC1 ZINC001160209616 772009692 /nfs/dbraw/zinc/00/96/92/772009692.db2.gz SJCWYBOMESYDRB-KRWDZBQOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160274948 772017232 /nfs/dbraw/zinc/01/72/32/772017232.db2.gz XTDQADWHTYGOPB-LSDHHAIUSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001160385903 772031098 /nfs/dbraw/zinc/03/10/98/772031098.db2.gz BFMUUXFPXCCQFZ-INIZCTEOSA-N 2 1 305.422 0.215 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001160385903 772031104 /nfs/dbraw/zinc/03/11/04/772031104.db2.gz BFMUUXFPXCCQFZ-INIZCTEOSA-N 2 1 305.422 0.215 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCO)CC1 ZINC001160385903 772031109 /nfs/dbraw/zinc/03/11/09/772031109.db2.gz BFMUUXFPXCCQFZ-INIZCTEOSA-N 2 1 305.422 0.215 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCO)CC1 ZINC001160385903 772031115 /nfs/dbraw/zinc/03/11/15/772031115.db2.gz BFMUUXFPXCCQFZ-INIZCTEOSA-N 2 1 305.422 0.215 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160479155 772047149 /nfs/dbraw/zinc/04/71/49/772047149.db2.gz QNLUHSDALDKBCW-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160479155 772047155 /nfs/dbraw/zinc/04/71/55/772047155.db2.gz QNLUHSDALDKBCW-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160479155 772047160 /nfs/dbraw/zinc/04/71/60/772047160.db2.gz QNLUHSDALDKBCW-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160479155 772047164 /nfs/dbraw/zinc/04/71/64/772047164.db2.gz QNLUHSDALDKBCW-GDBMZVCRSA-N 2 1 305.422 0.477 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC12CCOCC2 ZINC001186552718 772060070 /nfs/dbraw/zinc/06/00/70/772060070.db2.gz KUSOCBKSDOLKJR-JKSUJKDBSA-N 2 1 321.465 0.969 20 30 DCEDMP C#CCC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161472512 772229736 /nfs/dbraw/zinc/22/97/36/772229736.db2.gz WNTCAAXSVVVRHK-UHFFFAOYSA-N 2 1 319.449 0.870 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161472512 772229738 /nfs/dbraw/zinc/22/97/38/772229738.db2.gz WNTCAAXSVVVRHK-UHFFFAOYSA-N 2 1 319.449 0.870 20 30 DCEDMP CC#CC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161477583 772230358 /nfs/dbraw/zinc/23/03/58/772230358.db2.gz GJLBVOGYMKAUFU-UHFFFAOYSA-N 2 1 319.449 0.870 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161477583 772230361 /nfs/dbraw/zinc/23/03/61/772230361.db2.gz GJLBVOGYMKAUFU-UHFFFAOYSA-N 2 1 319.449 0.870 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203437236 772907104 /nfs/dbraw/zinc/90/71/04/772907104.db2.gz HPBHXIIVHYKYBN-UHFFFAOYSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192342531 772907441 /nfs/dbraw/zinc/90/74/41/772907441.db2.gz GBEDYXALYQRYOW-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001192342531 772907445 /nfs/dbraw/zinc/90/74/45/772907445.db2.gz GBEDYXALYQRYOW-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342531 772907446 /nfs/dbraw/zinc/90/74/46/772907446.db2.gz GBEDYXALYQRYOW-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342531 772907449 /nfs/dbraw/zinc/90/74/49/772907449.db2.gz GBEDYXALYQRYOW-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203508613 772910257 /nfs/dbraw/zinc/91/02/57/772910257.db2.gz ZREPBLSHMFIZHZ-GJZGRUSLSA-N 2 1 307.438 0.912 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCOC)CC1 ZINC001205479655 772994985 /nfs/dbraw/zinc/99/49/85/772994985.db2.gz REOFARSOGRFRSP-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCOC)CC1 ZINC001205479655 772994988 /nfs/dbraw/zinc/99/49/88/772994988.db2.gz REOFARSOGRFRSP-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281569 773062336 /nfs/dbraw/zinc/06/23/36/773062336.db2.gz MGPBRQBCPSUGLR-RDJZCZTQSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462795 773066790 /nfs/dbraw/zinc/06/67/90/773066790.db2.gz PULNXJQBOWUCPS-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193462795 773066793 /nfs/dbraw/zinc/06/67/93/773066793.db2.gz PULNXJQBOWUCPS-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193462795 773066796 /nfs/dbraw/zinc/06/67/96/773066796.db2.gz PULNXJQBOWUCPS-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399720 773186637 /nfs/dbraw/zinc/18/66/37/773186637.db2.gz RIIBYHFQBAWGDT-HUUCEWRRSA-N 2 1 307.438 0.742 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207649708 773255881 /nfs/dbraw/zinc/25/58/81/773255881.db2.gz CRAHLPRXPIBLBI-OAGGEKHMSA-N 2 1 309.454 0.659 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208640019 773509759 /nfs/dbraw/zinc/50/97/59/773509759.db2.gz XLLVPNMBZWLEJF-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCCC[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209262901 773576149 /nfs/dbraw/zinc/57/61/49/773576149.db2.gz BXVMAASVSGJPIF-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCCC[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209262901 773576153 /nfs/dbraw/zinc/57/61/53/773576153.db2.gz BXVMAASVSGJPIF-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCCC[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209262901 773576158 /nfs/dbraw/zinc/57/61/58/773576158.db2.gz BXVMAASVSGJPIF-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCCC[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209262901 773576163 /nfs/dbraw/zinc/57/61/63/773576163.db2.gz BXVMAASVSGJPIF-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209633357 773627322 /nfs/dbraw/zinc/62/73/22/773627322.db2.gz SWZHTSXFUQPLLN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210495319 773715288 /nfs/dbraw/zinc/71/52/88/773715288.db2.gz ZANXNBJZPXAEOT-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(c2ccccc2)N(C)C)C1 ZINC001197689569 773783567 /nfs/dbraw/zinc/78/35/67/773783567.db2.gz KOIBIWQPRBXFLR-JFIYKMOQSA-N 2 1 317.433 0.811 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198653080 773958238 /nfs/dbraw/zinc/95/82/38/773958238.db2.gz HCUOSTCFNGUWHP-BZUAXINKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198653080 773958243 /nfs/dbraw/zinc/95/82/43/773958243.db2.gz HCUOSTCFNGUWHP-BZUAXINKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198653080 773958247 /nfs/dbraw/zinc/95/82/47/773958247.db2.gz HCUOSTCFNGUWHP-BZUAXINKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215001240 774031763 /nfs/dbraw/zinc/03/17/63/774031763.db2.gz AIBCKYHXSASIEB-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199129053 774033392 /nfs/dbraw/zinc/03/33/92/774033392.db2.gz WFSGPBSEEZGIBH-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199129053 774033396 /nfs/dbraw/zinc/03/33/96/774033396.db2.gz WFSGPBSEEZGIBH-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOC ZINC001110678812 774707019 /nfs/dbraw/zinc/70/70/19/774707019.db2.gz IXFQOOSTILPLBG-NCOADZHNSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953954 775359906 /nfs/dbraw/zinc/35/99/06/775359906.db2.gz HKCFAMQKOSHDFX-OAGGEKHMSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953954 775359916 /nfs/dbraw/zinc/35/99/16/775359916.db2.gz HKCFAMQKOSHDFX-OAGGEKHMSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001224546915 775580703 /nfs/dbraw/zinc/58/07/03/775580703.db2.gz SUIAULZSCSVDKX-NVXWUHKLSA-N 2 1 321.465 0.662 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC#CCOC)CC1 ZINC001225228541 775656776 /nfs/dbraw/zinc/65/67/76/775656776.db2.gz OZRKEPGNRZXNKG-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111407905 775844676 /nfs/dbraw/zinc/84/46/76/775844676.db2.gz ZCNHDRVUUVSJBS-JJXSEGSLSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407905 775844678 /nfs/dbraw/zinc/84/46/78/775844678.db2.gz ZCNHDRVUUVSJBS-JJXSEGSLSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407905 775844683 /nfs/dbraw/zinc/84/46/83/775844683.db2.gz ZCNHDRVUUVSJBS-JJXSEGSLSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794748 776134892 /nfs/dbraw/zinc/13/48/92/776134892.db2.gz OWCNOKJBTZZGPJ-FXUDXRNXSA-N 2 1 309.454 0.822 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230090420 776250457 /nfs/dbraw/zinc/25/04/57/776250457.db2.gz KFKJFCPXLNHROU-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041366733 777232352 /nfs/dbraw/zinc/23/23/52/777232352.db2.gz AKIXOHPNOWCLSF-DOTOQJQBSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041366733 777232359 /nfs/dbraw/zinc/23/23/59/777232359.db2.gz AKIXOHPNOWCLSF-DOTOQJQBSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041366733 777232366 /nfs/dbraw/zinc/23/23/66/777232366.db2.gz AKIXOHPNOWCLSF-DOTOQJQBSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCO)C2)C1 ZINC001041366733 777232373 /nfs/dbraw/zinc/23/23/73/777232373.db2.gz AKIXOHPNOWCLSF-DOTOQJQBSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCO)C2)C1 ZINC001041366733 777232379 /nfs/dbraw/zinc/23/23/79/777232379.db2.gz AKIXOHPNOWCLSF-DOTOQJQBSA-N 2 1 305.422 0.001 20 30 DCEDMP N#CCCCN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030977 945209539 /nfs/dbraw/zinc/20/95/39/945209539.db2.gz SASGEVWJRHRDQO-UHFFFAOYSA-N 2 1 306.410 0.203 20 30 DCEDMP C#CC[N@@H+](CC)CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001266392945 939104244 /nfs/dbraw/zinc/10/42/44/939104244.db2.gz SHCLUSUZSCZSPV-OAHLLOKOSA-N 2 1 303.410 0.861 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317973276 945229154 /nfs/dbraw/zinc/22/91/54/945229154.db2.gz SSUSWSRJWNXBCH-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317973276 945229158 /nfs/dbraw/zinc/22/91/58/945229158.db2.gz SSUSWSRJWNXBCH-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)CN1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266488414 939133418 /nfs/dbraw/zinc/13/34/18/939133418.db2.gz IYERTZGMEMZDDK-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266488414 939133422 /nfs/dbraw/zinc/13/34/22/939133422.db2.gz IYERTZGMEMZDDK-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266488414 939133424 /nfs/dbraw/zinc/13/34/24/939133424.db2.gz IYERTZGMEMZDDK-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266488414 939133427 /nfs/dbraw/zinc/13/34/27/939133427.db2.gz IYERTZGMEMZDDK-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266488414 939133431 /nfs/dbraw/zinc/13/34/31/939133431.db2.gz IYERTZGMEMZDDK-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267110760 939347407 /nfs/dbraw/zinc/34/74/07/939347407.db2.gz ICHSJSGPNMVIIT-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCCO ZINC001267169307 939368585 /nfs/dbraw/zinc/36/85/85/939368585.db2.gz NAGJNLQUPOWFQG-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCCO ZINC001267169307 939368589 /nfs/dbraw/zinc/36/85/89/939368589.db2.gz NAGJNLQUPOWFQG-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCO ZINC001267169307 939368594 /nfs/dbraw/zinc/36/85/94/939368594.db2.gz NAGJNLQUPOWFQG-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCO ZINC001267169307 939368599 /nfs/dbraw/zinc/36/85/99/939368599.db2.gz NAGJNLQUPOWFQG-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267216701 939390654 /nfs/dbraw/zinc/39/06/54/939390654.db2.gz QGVIEUKLYNHNCY-DOTOQJQBSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267562005 939500776 /nfs/dbraw/zinc/50/07/76/939500776.db2.gz IINZHPPPOHSBDX-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267569269 939504087 /nfs/dbraw/zinc/50/40/87/939504087.db2.gz RVBLNTGASSZXBQ-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)[C@H](C)N(CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480965027 939504269 /nfs/dbraw/zinc/50/42/69/939504269.db2.gz JXLAHOLZNRAYHP-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480965027 939504270 /nfs/dbraw/zinc/50/42/70/939504270.db2.gz JXLAHOLZNRAYHP-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480965027 939504271 /nfs/dbraw/zinc/50/42/71/939504271.db2.gz JXLAHOLZNRAYHP-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480965027 939504273 /nfs/dbraw/zinc/50/42/73/939504273.db2.gz JXLAHOLZNRAYHP-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481099418 939560126 /nfs/dbraw/zinc/56/01/26/939560126.db2.gz FCWHSGRCQFLIBM-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268116714 939950777 /nfs/dbraw/zinc/95/07/77/939950777.db2.gz TWUVEKCKAQJIQI-HZPDHXFCSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccnc1 ZINC001268553814 940231668 /nfs/dbraw/zinc/23/16/68/940231668.db2.gz YGUWYRKGNQOTJB-IDOMTICXSA-N 2 1 312.417 0.941 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccnc1 ZINC001268553814 940231672 /nfs/dbraw/zinc/23/16/72/940231672.db2.gz YGUWYRKGNQOTJB-IDOMTICXSA-N 2 1 312.417 0.941 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273143255 945316794 /nfs/dbraw/zinc/31/67/94/945316794.db2.gz DQJWUHYQAIFVMP-CRAIPNDOSA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273143255 945316803 /nfs/dbraw/zinc/31/68/03/945316803.db2.gz DQJWUHYQAIFVMP-CRAIPNDOSA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273143255 945316813 /nfs/dbraw/zinc/31/68/13/945316813.db2.gz DQJWUHYQAIFVMP-CRAIPNDOSA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273143255 945316822 /nfs/dbraw/zinc/31/68/22/945316822.db2.gz DQJWUHYQAIFVMP-CRAIPNDOSA-N 2 1 317.433 0.803 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268803360 940366344 /nfs/dbraw/zinc/36/63/44/940366344.db2.gz ZXOMVDXIVVPRQC-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269172958 940639268 /nfs/dbraw/zinc/63/92/68/940639268.db2.gz ZGINHAFNCRQPST-MJBXVCDLSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269172958 940639271 /nfs/dbraw/zinc/63/92/71/940639271.db2.gz ZGINHAFNCRQPST-MJBXVCDLSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001270165807 940847935 /nfs/dbraw/zinc/84/79/35/940847935.db2.gz QNKOGLVCLFCUHT-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001270655633 940955669 /nfs/dbraw/zinc/95/56/69/940955669.db2.gz FBZSGUIIKXEWNA-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001270655633 940955671 /nfs/dbraw/zinc/95/56/71/940955671.db2.gz FBZSGUIIKXEWNA-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001270847153 941010248 /nfs/dbraw/zinc/01/02/48/941010248.db2.gz LFLBKAFDPRGHDT-QGZVFWFLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001271145974 941288612 /nfs/dbraw/zinc/28/86/12/941288612.db2.gz QXSHHLLAMAQIGH-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145974 941288614 /nfs/dbraw/zinc/28/86/14/941288614.db2.gz QXSHHLLAMAQIGH-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145974 941288619 /nfs/dbraw/zinc/28/86/19/941288619.db2.gz QXSHHLLAMAQIGH-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001271229848 941329871 /nfs/dbraw/zinc/32/98/71/941329871.db2.gz XZPITIGJTUDQLX-SFHVURJKSA-N 2 1 315.417 0.548 20 30 DCEDMP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001271738077 941439620 /nfs/dbraw/zinc/43/96/20/941439620.db2.gz FTUPCMBNAPXTJS-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271883478 941472551 /nfs/dbraw/zinc/47/25/51/941472551.db2.gz BAZTZZWZQQGXBD-GJZGRUSLSA-N 2 1 324.469 0.503 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001482625303 941601253 /nfs/dbraw/zinc/60/12/53/941601253.db2.gz QQHFCPFXZAXSER-CQSZACIVSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001482625303 941601256 /nfs/dbraw/zinc/60/12/56/941601256.db2.gz QQHFCPFXZAXSER-CQSZACIVSA-N 2 1 324.469 0.409 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001483570448 942432095 /nfs/dbraw/zinc/43/20/95/942432095.db2.gz KHWJFEWOTUVKBR-OAHLLOKOSA-N 2 1 304.394 0.858 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001279162987 942731866 /nfs/dbraw/zinc/73/18/66/942731866.db2.gz VXHJIKJRMUXMJH-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001483934173 943035933 /nfs/dbraw/zinc/03/59/33/943035933.db2.gz GQESAORLJQSCPQ-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484121986 943156327 /nfs/dbraw/zinc/15/63/27/943156327.db2.gz NGUYOXVEAYDSTB-FUHWJXTLSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001484450473 943395435 /nfs/dbraw/zinc/39/54/35/943395435.db2.gz NZGHKORTHQACSA-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001484938132 943628848 /nfs/dbraw/zinc/62/88/48/943628848.db2.gz VNZLWQLOTOVRTA-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484955086 943636903 /nfs/dbraw/zinc/63/69/03/943636903.db2.gz ZRFRVTCBLRNWGF-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCOCC[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001485088949 943688380 /nfs/dbraw/zinc/68/83/80/943688380.db2.gz RIROWOLPACLKPR-YMAMQOFZSA-N 2 1 311.426 0.004 20 30 DCEDMP C=CCOCC[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001485088949 943688382 /nfs/dbraw/zinc/68/83/82/943688382.db2.gz RIROWOLPACLKPR-YMAMQOFZSA-N 2 1 311.426 0.004 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001486313255 944775632 /nfs/dbraw/zinc/77/56/32/944775632.db2.gz XYBVCLYUSTYQLH-ZBFHGGJFSA-N 2 1 318.421 0.186 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001317098116 944793621 /nfs/dbraw/zinc/79/36/21/944793621.db2.gz YAZZVNSUVUHBAF-UBHSHLNASA-N 2 1 319.409 0.119 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001317128427 944814302 /nfs/dbraw/zinc/81/43/02/944814302.db2.gz OOHQCVRYHSHFND-QLFBSQMISA-N 2 1 322.453 0.350 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317535574 945033687 /nfs/dbraw/zinc/03/36/87/945033687.db2.gz JJSPUWHMTABQBB-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC#CCOC ZINC001318529386 945393601 /nfs/dbraw/zinc/39/36/01/945393601.db2.gz KZAWOHZRUOAUFU-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)COC ZINC001319080653 945494015 /nfs/dbraw/zinc/49/40/15/945494015.db2.gz FTYGQWAYNYUVEJ-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)COC ZINC001319080653 945494018 /nfs/dbraw/zinc/49/40/18/945494018.db2.gz FTYGQWAYNYUVEJ-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809695 946428900 /nfs/dbraw/zinc/42/89/00/946428900.db2.gz HFEOURSMWSKYEF-KRWDZBQOSA-N 2 1 318.421 0.583 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809695 946428909 /nfs/dbraw/zinc/42/89/09/946428909.db2.gz HFEOURSMWSKYEF-KRWDZBQOSA-N 2 1 318.421 0.583 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278816791 946438388 /nfs/dbraw/zinc/43/83/88/946438388.db2.gz WTUAHBUBGRNXCZ-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278816791 946438395 /nfs/dbraw/zinc/43/83/95/946438395.db2.gz WTUAHBUBGRNXCZ-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278816791 946438401 /nfs/dbraw/zinc/43/84/01/946438401.db2.gz WTUAHBUBGRNXCZ-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001278896450 946561383 /nfs/dbraw/zinc/56/13/83/946561383.db2.gz YJNYRNKYRGCEAQ-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457243 947299278 /nfs/dbraw/zinc/29/92/78/947299278.db2.gz BWDJYSFAEBLQRB-ZFWWWQNUSA-N 2 1 307.442 0.292 20 30 DCEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457243 947299286 /nfs/dbraw/zinc/29/92/86/947299286.db2.gz BWDJYSFAEBLQRB-ZFWWWQNUSA-N 2 1 307.442 0.292 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492725 947318014 /nfs/dbraw/zinc/31/80/14/947318014.db2.gz ROBPFVTXZOUHSD-ZDUSSCGKSA-N 2 1 308.426 0.852 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001324456276 947429985 /nfs/dbraw/zinc/42/99/85/947429985.db2.gz UCZKJDBPDTZWJM-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001325142582 947677617 /nfs/dbraw/zinc/67/76/17/947677617.db2.gz VHTCYKYPMAYARR-QGZVFWFLSA-N 2 1 318.421 0.548 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001325142582 947677622 /nfs/dbraw/zinc/67/76/22/947677622.db2.gz VHTCYKYPMAYARR-QGZVFWFLSA-N 2 1 318.421 0.548 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325125048 947734125 /nfs/dbraw/zinc/73/41/25/947734125.db2.gz AAFMRGYOMNGDQT-KRWDZBQOSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325125048 947734134 /nfs/dbraw/zinc/73/41/34/947734134.db2.gz AAFMRGYOMNGDQT-KRWDZBQOSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325125048 947734146 /nfs/dbraw/zinc/73/41/46/947734146.db2.gz AAFMRGYOMNGDQT-KRWDZBQOSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)C[C@@H](C)OC ZINC001273524127 947939525 /nfs/dbraw/zinc/93/95/25/947939525.db2.gz LGIQFFHMPYEHSG-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)C[C@@H](C)OC ZINC001273524127 947939534 /nfs/dbraw/zinc/93/95/34/947939534.db2.gz LGIQFFHMPYEHSG-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C[C@@H](C)OC ZINC001273524127 947939542 /nfs/dbraw/zinc/93/95/42/947939542.db2.gz LGIQFFHMPYEHSG-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C[C@@H](C)OC ZINC001273524127 947939548 /nfs/dbraw/zinc/93/95/48/947939548.db2.gz LGIQFFHMPYEHSG-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001325866108 947959778 /nfs/dbraw/zinc/95/97/78/947959778.db2.gz UDRUOMYJIDHNMT-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001325954854 947989712 /nfs/dbraw/zinc/98/97/12/947989712.db2.gz HVQHOGCKESGKTC-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCN1CC[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001273728447 948051056 /nfs/dbraw/zinc/05/10/56/948051056.db2.gz NWMMDVDMMYSGNE-GOSISDBHSA-N 2 1 320.481 0.734 20 30 DCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001326341568 948134114 /nfs/dbraw/zinc/13/41/14/948134114.db2.gz WJKNEGDQLHHSPC-CABCVRRESA-N 2 1 309.458 0.397 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001326507777 948182303 /nfs/dbraw/zinc/18/23/03/948182303.db2.gz JXLXMMYAXASMBL-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001326987937 948353932 /nfs/dbraw/zinc/35/39/32/948353932.db2.gz HIKULWDZCQCWFD-DLBZAZTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)O2 ZINC001327365421 948479760 /nfs/dbraw/zinc/47/97/60/948479760.db2.gz SNDLZGZNZMGIAK-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)O2 ZINC001327365421 948479765 /nfs/dbraw/zinc/47/97/65/948479765.db2.gz SNDLZGZNZMGIAK-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001327578476 948558134 /nfs/dbraw/zinc/55/81/34/948558134.db2.gz WPNDQJMBBBTNOS-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001328186274 948736596 /nfs/dbraw/zinc/73/65/96/948736596.db2.gz NEZQGOWDFIRFLR-MRXNPFEDSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001328218001 948751947 /nfs/dbraw/zinc/75/19/47/948751947.db2.gz SFEQWEIXXDYPEM-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264633076 949040489 /nfs/dbraw/zinc/04/04/89/949040489.db2.gz VARQYXACFVTPKK-CVEARBPZSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264633076 949040511 /nfs/dbraw/zinc/04/05/11/949040511.db2.gz VARQYXACFVTPKK-CVEARBPZSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264633076 949040532 /nfs/dbraw/zinc/04/05/32/949040532.db2.gz VARQYXACFVTPKK-CVEARBPZSA-N 2 1 309.454 0.942 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001488847189 949251426 /nfs/dbraw/zinc/25/14/26/949251426.db2.gz SEIRLQDGKKOHEO-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC#CCOC ZINC001489134091 949533949 /nfs/dbraw/zinc/53/39/49/949533949.db2.gz ZLDFXJYRWMTAMC-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC#CCOC ZINC001489134091 949533966 /nfs/dbraw/zinc/53/39/66/949533966.db2.gz ZLDFXJYRWMTAMC-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC#CCOC ZINC001489134091 949533985 /nfs/dbraw/zinc/53/39/85/949533985.db2.gz ZLDFXJYRWMTAMC-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001329514620 949651709 /nfs/dbraw/zinc/65/17/09/949651709.db2.gz FREBJLFATYSASV-GOEBONIOSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN(C)[C@@H](C)CNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001329514620 949651728 /nfs/dbraw/zinc/65/17/28/949651728.db2.gz FREBJLFATYSASV-GOEBONIOSA-N 2 1 307.438 0.700 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001266148881 950420046 /nfs/dbraw/zinc/42/00/46/950420046.db2.gz JWNNLKTVVSUDPG-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+]1CCOCC1 ZINC001266238428 950509479 /nfs/dbraw/zinc/50/94/79/950509479.db2.gz SDIKANHLMWEYIR-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+]1CCOCC1 ZINC001266238428 950509493 /nfs/dbraw/zinc/50/94/93/950509493.db2.gz SDIKANHLMWEYIR-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490474422 950717179 /nfs/dbraw/zinc/71/71/79/950717179.db2.gz CCSYDCMLCYMBEX-UHFFFAOYSA-N 2 1 306.454 0.392 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001490516600 950842672 /nfs/dbraw/zinc/84/26/72/950842672.db2.gz RJAZNENHICEXMY-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001490516600 950842697 /nfs/dbraw/zinc/84/26/97/950842697.db2.gz RJAZNENHICEXMY-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001280600336 950975323 /nfs/dbraw/zinc/97/53/23/950975323.db2.gz GQFUFDUIIKWHTI-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001280600334 950976783 /nfs/dbraw/zinc/97/67/83/950976783.db2.gz GQFUFDUIIKWHTI-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[NH2+][C@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001331804301 951328991 /nfs/dbraw/zinc/32/89/91/951328991.db2.gz ILXBQOTUFIVHJX-AWEZNQCLSA-N 2 1 315.377 0.524 20 30 DCEDMP C=CCN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274656836 951767787 /nfs/dbraw/zinc/76/77/87/951767787.db2.gz RXIRKXZMHYXSOA-NVXWUHKLSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001276159059 952954098 /nfs/dbraw/zinc/95/40/98/952954098.db2.gz SHNOYOBELSVVJX-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001342564066 953295703 /nfs/dbraw/zinc/29/57/03/953295703.db2.gz FBBWXHWMOXLMPT-LRDDRELGSA-N 2 1 303.410 0.667 20 30 DCEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001283797684 954615227 /nfs/dbraw/zinc/61/52/27/954615227.db2.gz RFYXCHIADJWVAX-KBPBESRZSA-N 2 1 306.410 0.397 20 30 DCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001283802669 954618691 /nfs/dbraw/zinc/61/86/91/954618691.db2.gz BLLVPYMMZMGUAT-ZACQAIPSSA-N 2 1 317.433 0.585 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](CC)OC)C1 ZINC001316630852 954816920 /nfs/dbraw/zinc/81/69/20/954816920.db2.gz ZNPJFULNAXAOMI-QAETUUGQSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](CC)OC)C1 ZINC001316630852 954816933 /nfs/dbraw/zinc/81/69/33/954816933.db2.gz ZNPJFULNAXAOMI-QAETUUGQSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001284518444 955151079 /nfs/dbraw/zinc/15/10/79/955151079.db2.gz CFCOAVYZDOVNBQ-HOTGVXAUSA-N 2 1 309.454 0.491 20 30 DCEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367729195 958456591 /nfs/dbraw/zinc/45/65/91/958456591.db2.gz MDNHOJAZKYVYEY-BBRMVZONSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367729195 958456596 /nfs/dbraw/zinc/45/65/96/958456596.db2.gz MDNHOJAZKYVYEY-BBRMVZONSA-N 2 1 316.405 0.483 20 30 DCEDMP CC#CC[C@@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001312994455 960290182 /nfs/dbraw/zinc/29/01/82/960290182.db2.gz KLVJEESLIRBOEK-GJZGRUSLSA-N 2 1 312.458 0.332 20 30 DCEDMP CC#CC[C@@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001312994455 960290189 /nfs/dbraw/zinc/29/01/89/960290189.db2.gz KLVJEESLIRBOEK-GJZGRUSLSA-N 2 1 312.458 0.332 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001374624635 965656683 /nfs/dbraw/zinc/65/66/83/965656683.db2.gz OVVPLTBPSACXDG-KBPBESRZSA-N 2 1 317.861 0.926 20 30 DCEDMP C=CC[N@H+](C)CCN(CC)C(=O)CCN1CC[NH+](CC)CC1 ZINC001448885490 1014082936 /nfs/dbraw/zinc/08/29/36/1014082936.db2.gz XMCCWRCVPKVJOX-UHFFFAOYSA-N 2 1 310.486 0.980 20 30 DCEDMP C=CC[N@@H+](C)CCN(CC)C(=O)CC[NH+]1CCN(CC)CC1 ZINC001448885490 1014082938 /nfs/dbraw/zinc/08/29/38/1014082938.db2.gz XMCCWRCVPKVJOX-UHFFFAOYSA-N 2 1 310.486 0.980 20 30 DCEDMP C=CC[N@H+](C)CCN(CC)C(=O)CC[NH+]1CCN(CC)CC1 ZINC001448885490 1014082941 /nfs/dbraw/zinc/08/29/41/1014082941.db2.gz XMCCWRCVPKVJOX-UHFFFAOYSA-N 2 1 310.486 0.980 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001448945717 1014104639 /nfs/dbraw/zinc/10/46/39/1014104639.db2.gz KUFROFVWYHCRPY-UONOGXRCSA-N 2 1 317.861 0.926 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001394609524 993905459 /nfs/dbraw/zinc/90/54/59/993905459.db2.gz RZRLWOAYNYCAFQ-KBPBESRZSA-N 2 1 317.861 0.926 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001394609524 993905471 /nfs/dbraw/zinc/90/54/71/993905471.db2.gz RZRLWOAYNYCAFQ-KBPBESRZSA-N 2 1 317.861 0.926 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001394757512 994112301 /nfs/dbraw/zinc/11/23/01/994112301.db2.gz WFZNITWROAKCSS-LBPRGKRZSA-N 2 1 300.790 0.353 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001502720942 1016039914 /nfs/dbraw/zinc/03/99/14/1016039914.db2.gz KMISCQDHHDWVSS-ZFWWWQNUSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001502883817 1016116746 /nfs/dbraw/zinc/11/67/46/1016116746.db2.gz YTDKGONQGSYOLB-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001437295943 1006813458 /nfs/dbraw/zinc/81/34/58/1006813458.db2.gz MSSOHQKLSFDFGY-OLZOCXBDSA-N 2 1 301.818 0.508 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001437295943 1006813471 /nfs/dbraw/zinc/81/34/71/1006813471.db2.gz MSSOHQKLSFDFGY-OLZOCXBDSA-N 2 1 301.818 0.508 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479778085 1017740260 /nfs/dbraw/zinc/74/02/60/1017740260.db2.gz LSSRPYAOEFGELF-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479778085 1017740272 /nfs/dbraw/zinc/74/02/72/1017740272.db2.gz LSSRPYAOEFGELF-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001479778085 1017740287 /nfs/dbraw/zinc/74/02/87/1017740287.db2.gz LSSRPYAOEFGELF-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001494686653 1017949585 /nfs/dbraw/zinc/94/95/85/1017949585.db2.gz XMAJBUJTRLPDJC-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001494686653 1017949601 /nfs/dbraw/zinc/94/96/01/1017949601.db2.gz XMAJBUJTRLPDJC-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001494686653 1017949616 /nfs/dbraw/zinc/94/96/16/1017949616.db2.gz XMAJBUJTRLPDJC-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001494686653 1017949631 /nfs/dbraw/zinc/94/96/31/1017949631.db2.gz XMAJBUJTRLPDJC-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001494909835 1018146398 /nfs/dbraw/zinc/14/63/98/1018146398.db2.gz LLNSILSQBAXENT-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001494909835 1018146408 /nfs/dbraw/zinc/14/64/08/1018146408.db2.gz LLNSILSQBAXENT-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001480046970 1018157185 /nfs/dbraw/zinc/15/71/85/1018157185.db2.gz NFXXVRMINLIXJS-HOCLYGCPSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001498055568 1018618363 /nfs/dbraw/zinc/61/83/63/1018618363.db2.gz TUJXSSYWVZJBHG-XHSDSOJGSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001498055568 1018618371 /nfs/dbraw/zinc/61/83/71/1018618371.db2.gz TUJXSSYWVZJBHG-XHSDSOJGSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500763533 1018641374 /nfs/dbraw/zinc/64/13/74/1018641374.db2.gz VKHGTVHDIBTJEG-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cnns1 ZINC001480770828 1018894365 /nfs/dbraw/zinc/89/43/65/1018894365.db2.gz KJFONGLNVWBLRX-OCCSQVGLSA-N 2 1 321.450 0.620 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cnns1 ZINC001480770828 1018894387 /nfs/dbraw/zinc/89/43/87/1018894387.db2.gz KJFONGLNVWBLRX-OCCSQVGLSA-N 2 1 321.450 0.620 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001501243221 1018984003 /nfs/dbraw/zinc/98/40/03/1018984003.db2.gz WTLPAULNTDWOLX-IYBDPMFKSA-N 2 1 309.454 0.919 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001501243221 1018984017 /nfs/dbraw/zinc/98/40/17/1018984017.db2.gz WTLPAULNTDWOLX-IYBDPMFKSA-N 2 1 309.454 0.919 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001501243221 1018984032 /nfs/dbraw/zinc/98/40/32/1018984032.db2.gz WTLPAULNTDWOLX-IYBDPMFKSA-N 2 1 309.454 0.919 20 30 DCEDMP C#CC[N@H+](CC)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001493022162 1019014912 /nfs/dbraw/zinc/01/49/12/1019014912.db2.gz HTQYHBXRAZHOEV-UHFFFAOYSA-N 2 1 304.394 0.955 20 30 DCEDMP C#CC[N@@H+](CC)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001493022162 1019014929 /nfs/dbraw/zinc/01/49/29/1019014929.db2.gz HTQYHBXRAZHOEV-UHFFFAOYSA-N 2 1 304.394 0.955 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001496136049 1019102746 /nfs/dbraw/zinc/10/27/46/1019102746.db2.gz CWKJNPFLQFPVPA-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CCC[NH+](C)C ZINC001496483064 1019345823 /nfs/dbraw/zinc/34/58/23/1019345823.db2.gz MJWAFYIXJINGIQ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CCC[NH+](C)C ZINC001496483064 1019345835 /nfs/dbraw/zinc/34/58/35/1019345835.db2.gz MJWAFYIXJINGIQ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC ZINC001498897343 1019510374 /nfs/dbraw/zinc/51/03/74/1019510374.db2.gz CFPSUYLYRVJHKJ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CN1CC[NH+]=C1NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000262667834 529779091 /nfs/dbraw/zinc/77/90/91/529779091.db2.gz POYQBPCUHAMCMF-UHFFFAOYSA-N 2 1 301.438 0.825 20 30 DCEDMP CN(C(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1)C1CC1 ZINC000181471129 237262076 /nfs/dbraw/zinc/26/20/76/237262076.db2.gz FIWMMLSGLPPJPP-UHFFFAOYSA-N 2 1 302.426 0.742 20 30 DCEDMP N#CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000603833266 397623374 /nfs/dbraw/zinc/62/33/74/397623374.db2.gz DGCZHKLKZLDQCQ-OWCLPIDISA-N 2 1 301.390 0.644 20 30 DCEDMP N#CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000603833266 397623375 /nfs/dbraw/zinc/62/33/75/397623375.db2.gz DGCZHKLKZLDQCQ-OWCLPIDISA-N 2 1 301.390 0.644 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000328276958 416122459 /nfs/dbraw/zinc/12/24/59/416122459.db2.gz OUTFUOJCXIIXCC-INIZCTEOSA-N 2 1 324.446 0.668 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000328276958 416122461 /nfs/dbraw/zinc/12/24/61/416122461.db2.gz OUTFUOJCXIIXCC-INIZCTEOSA-N 2 1 324.446 0.668 20 30 DCEDMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329174002 416155001 /nfs/dbraw/zinc/15/50/01/416155001.db2.gz LROYSCGHOYHCSH-BZUAXINKSA-N 2 1 323.485 0.753 20 30 DCEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329174002 416155013 /nfs/dbraw/zinc/15/50/13/416155013.db2.gz LROYSCGHOYHCSH-BZUAXINKSA-N 2 1 323.485 0.753 20 30 DCEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329174002 416155016 /nfs/dbraw/zinc/15/50/16/416155016.db2.gz LROYSCGHOYHCSH-BZUAXINKSA-N 2 1 323.485 0.753 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@@H]12 ZINC000341913412 416251082 /nfs/dbraw/zinc/25/10/82/416251082.db2.gz RYYXXIMSYZKXOB-COYYTBTLSA-N 2 1 304.434 0.395 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[N@@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@@H]12 ZINC000341913412 416251085 /nfs/dbraw/zinc/25/10/85/416251085.db2.gz RYYXXIMSYZKXOB-COYYTBTLSA-N 2 1 304.434 0.395 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[N@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@@H]12 ZINC000341913412 416251088 /nfs/dbraw/zinc/25/10/88/416251088.db2.gz RYYXXIMSYZKXOB-COYYTBTLSA-N 2 1 304.434 0.395 20 30 DCEDMP C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000491166607 416589398 /nfs/dbraw/zinc/58/93/98/416589398.db2.gz SSGAGFBTHXSOIT-UHFFFAOYSA-N 2 1 323.462 0.982 20 30 DCEDMP CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571295231 417442405 /nfs/dbraw/zinc/44/24/05/417442405.db2.gz SAIOCCXPIBOGPN-CYBMUJFWSA-N 2 1 304.398 0.540 20 30 DCEDMP C[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@@]1(C)CO ZINC000662142641 418383573 /nfs/dbraw/zinc/38/35/73/418383573.db2.gz JHRMPSVVJIFSBL-USTZCAOPSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@@]1(C)CO ZINC000662142641 418383576 /nfs/dbraw/zinc/38/35/76/418383576.db2.gz JHRMPSVVJIFSBL-USTZCAOPSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@@]1(C)CO ZINC000662142641 418383578 /nfs/dbraw/zinc/38/35/78/418383578.db2.gz JHRMPSVVJIFSBL-USTZCAOPSA-N 2 1 308.466 0.890 20 30 DCEDMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@H+]1C[C@@H](C)O ZINC000329574394 280339858 /nfs/dbraw/zinc/33/98/58/280339858.db2.gz RQHDPMVBFQDDAB-KFWWJZLASA-N 2 1 312.458 0.772 20 30 DCEDMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C[C@@H](C)O ZINC000329574394 280339860 /nfs/dbraw/zinc/33/98/60/280339860.db2.gz RQHDPMVBFQDDAB-KFWWJZLASA-N 2 1 312.458 0.772 20 30 DCEDMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH+]1C[C@@H](C)O ZINC000329574394 280339862 /nfs/dbraw/zinc/33/98/62/280339862.db2.gz RQHDPMVBFQDDAB-KFWWJZLASA-N 2 1 312.458 0.772 20 30 DCEDMP CCC[N@@H+](CC#CCOC)CCNC(=O)Cn1c[nH+]cc1C ZINC001567426780 1160361456 /nfs/dbraw/zinc/36/14/56/1160361456.db2.gz BRENROAHXBUZTI-UHFFFAOYSA-N 2 1 306.410 0.670 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)Cn1c[nH+]cc1C ZINC001567426780 1160361462 /nfs/dbraw/zinc/36/14/62/1160361462.db2.gz BRENROAHXBUZTI-UHFFFAOYSA-N 2 1 306.410 0.670 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC#CCOC)C1 ZINC001569651780 1161180124 /nfs/dbraw/zinc/18/01/24/1161180124.db2.gz VYDIDJBGPGESHD-KRWDZBQOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC#CCOC)C1 ZINC001569651780 1161180127 /nfs/dbraw/zinc/18/01/27/1161180127.db2.gz VYDIDJBGPGESHD-KRWDZBQOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC#CCOC)C1 ZINC001569651780 1161180129 /nfs/dbraw/zinc/18/01/29/1161180129.db2.gz VYDIDJBGPGESHD-KRWDZBQOSA-N 2 1 309.454 0.949 20 30 DCEDMP CNC(=O)CC1CCN(C(NCCn2cc[nH+]c2C)=[NH+]C)CC1 ZINC000261861286 526412773 /nfs/dbraw/zinc/41/27/73/526412773.db2.gz ZHAYZFVLZNFSAB-UHFFFAOYSA-N 2 1 320.441 0.615 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000364334947 526434543 /nfs/dbraw/zinc/43/45/43/526434543.db2.gz DHARWPLTODEBRV-JKSUJKDBSA-N 2 1 322.453 0.799 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000366851486 526482362 /nfs/dbraw/zinc/48/23/62/526482362.db2.gz NKHFALHADOBSDX-IAGOWNOFSA-N 2 1 320.481 0.874 20 30 DCEDMP CC(C)CNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264071179 527955108 /nfs/dbraw/zinc/95/51/08/527955108.db2.gz DHZRFNJFAIOOOQ-UHFFFAOYSA-N 2 1 304.442 0.894 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000264094672 529071788 /nfs/dbraw/zinc/07/17/88/529071788.db2.gz LPIQHZLDCHNFMA-OAHLLOKOSA-N 2 1 317.437 0.805 20 30 DCEDMP C=C(C)[C@@H](CO)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000677480568 547880640 /nfs/dbraw/zinc/88/06/40/547880640.db2.gz ZSCUOTHXFAIXHI-MRXNPFEDSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC000978280476 660515854 /nfs/dbraw/zinc/51/58/54/660515854.db2.gz JDOFCZXAGBLTNL-JONQDZQNSA-N 2 1 307.413 0.738 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC000978280476 660515857 /nfs/dbraw/zinc/51/58/57/660515857.db2.gz JDOFCZXAGBLTNL-JONQDZQNSA-N 2 1 307.413 0.738 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCF)C[C@H]21 ZINC000978280476 660515860 /nfs/dbraw/zinc/51/58/60/660515860.db2.gz JDOFCZXAGBLTNL-JONQDZQNSA-N 2 1 307.413 0.738 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCF)C[C@H]21 ZINC000978280476 660515863 /nfs/dbraw/zinc/51/58/63/660515863.db2.gz JDOFCZXAGBLTNL-JONQDZQNSA-N 2 1 307.413 0.738 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCOC)C[C@H]21 ZINC000978286118 660516976 /nfs/dbraw/zinc/51/69/76/660516976.db2.gz WXXVOPLSBNJJCO-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC000978286118 660516977 /nfs/dbraw/zinc/51/69/77/660516977.db2.gz WXXVOPLSBNJJCO-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCOC)C[C@H]21 ZINC000978286118 660516978 /nfs/dbraw/zinc/51/69/78/660516978.db2.gz WXXVOPLSBNJJCO-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCOC)C[C@H]21 ZINC000978286118 660516979 /nfs/dbraw/zinc/51/69/79/660516979.db2.gz WXXVOPLSBNJJCO-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 ZINC000979071037 660658107 /nfs/dbraw/zinc/65/81/07/660658107.db2.gz KEENDGPGETWWAN-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979071037 660658108 /nfs/dbraw/zinc/65/81/08/660658108.db2.gz KEENDGPGETWWAN-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979071037 660658110 /nfs/dbraw/zinc/65/81/10/660658110.db2.gz KEENDGPGETWWAN-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979071037 660658112 /nfs/dbraw/zinc/65/81/12/660658112.db2.gz KEENDGPGETWWAN-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979071037 660658113 /nfs/dbraw/zinc/65/81/13/660658113.db2.gz KEENDGPGETWWAN-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891921801 657917250 /nfs/dbraw/zinc/91/72/50/657917250.db2.gz VXNNINGXZGAWMY-UHFFFAOYSA-N 2 1 321.450 0.625 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041841824 658394732 /nfs/dbraw/zinc/39/47/32/658394732.db2.gz VICCAWHKTGGICS-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041841824 658394742 /nfs/dbraw/zinc/39/47/42/658394742.db2.gz VICCAWHKTGGICS-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841824 658394751 /nfs/dbraw/zinc/39/47/51/658394751.db2.gz VICCAWHKTGGICS-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841824 658394761 /nfs/dbraw/zinc/39/47/61/658394761.db2.gz VICCAWHKTGGICS-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972337770 658586011 /nfs/dbraw/zinc/58/60/11/658586011.db2.gz CJZIQNOLNVPGAI-LSDHHAIUSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972337770 658586014 /nfs/dbraw/zinc/58/60/14/658586014.db2.gz CJZIQNOLNVPGAI-LSDHHAIUSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561643 658717828 /nfs/dbraw/zinc/71/78/28/658717828.db2.gz UFNDSSRUNCLABG-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561643 658717831 /nfs/dbraw/zinc/71/78/31/658717831.db2.gz UFNDSSRUNCLABG-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561643 658717833 /nfs/dbraw/zinc/71/78/33/658717833.db2.gz UFNDSSRUNCLABG-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561643 658717836 /nfs/dbraw/zinc/71/78/36/658717836.db2.gz UFNDSSRUNCLABG-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022122205 658878891 /nfs/dbraw/zinc/87/88/91/658878891.db2.gz RAIVTHTYOWBEEX-RQJABVFESA-N 2 1 313.829 0.839 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999351170 665634098 /nfs/dbraw/zinc/63/40/98/665634098.db2.gz DDERXRXLRFKJRI-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000999402685 665641029 /nfs/dbraw/zinc/64/10/29/665641029.db2.gz VPTKDXDVUTVYJV-NFOMZHRRSA-N 2 1 300.406 0.966 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999767476 665681506 /nfs/dbraw/zinc/68/15/06/665681506.db2.gz YBRZQEAKTBHUBQ-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498916 659628939 /nfs/dbraw/zinc/62/89/39/659628939.db2.gz QIMYGYNQSWIXFF-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001027498916 659628942 /nfs/dbraw/zinc/62/89/42/659628942.db2.gz QIMYGYNQSWIXFF-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001027498916 659628944 /nfs/dbraw/zinc/62/89/44/659628944.db2.gz QIMYGYNQSWIXFF-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001028643499 661716056 /nfs/dbraw/zinc/71/60/56/661716056.db2.gz OVLPZKFGUPNOQW-LSDHHAIUSA-N 2 1 300.406 0.907 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758246 661808960 /nfs/dbraw/zinc/80/89/60/661808960.db2.gz PLSHYZIGYUQFOI-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028758246 661808963 /nfs/dbraw/zinc/80/89/63/661808963.db2.gz PLSHYZIGYUQFOI-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000896487795 662274167 /nfs/dbraw/zinc/27/41/67/662274167.db2.gz CZFQRNFYPDSVKL-HRCADAONSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000896487795 662274170 /nfs/dbraw/zinc/27/41/70/662274170.db2.gz CZFQRNFYPDSVKL-HRCADAONSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC000896487795 662274172 /nfs/dbraw/zinc/27/41/72/662274172.db2.gz CZFQRNFYPDSVKL-HRCADAONSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC000896487795 662274174 /nfs/dbraw/zinc/27/41/74/662274174.db2.gz CZFQRNFYPDSVKL-HRCADAONSA-N 2 1 304.438 0.962 20 30 DCEDMP CNC(NCc1cccc(OCC[N@@H+](C)CCOC)c1)=[NH+]C ZINC000303411341 662451283 /nfs/dbraw/zinc/45/12/83/662451283.db2.gz WZAYCAHYHOVGHY-UHFFFAOYSA-N 2 1 308.426 0.938 20 30 DCEDMP C[N@H+](C[C@H](O)COc1ccccc1C#N)C1(C[NH3+])CCOCC1 ZINC000903810069 663486969 /nfs/dbraw/zinc/48/69/69/663486969.db2.gz UTSBDDLASRMMIT-HNNXBMFYSA-N 2 1 319.405 0.738 20 30 DCEDMP C[N@@H+](C[C@H](O)COc1ccccc1C#N)C1(C[NH3+])CCOCC1 ZINC000903810069 663486973 /nfs/dbraw/zinc/48/69/73/663486973.db2.gz UTSBDDLASRMMIT-HNNXBMFYSA-N 2 1 319.405 0.738 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345344 665978303 /nfs/dbraw/zinc/97/83/03/665978303.db2.gz SFPIGGFXJFAOML-INIZCTEOSA-N 2 1 306.454 0.485 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345344 665978304 /nfs/dbraw/zinc/97/83/04/665978304.db2.gz SFPIGGFXJFAOML-INIZCTEOSA-N 2 1 306.454 0.485 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991357390 664120384 /nfs/dbraw/zinc/12/03/84/664120384.db2.gz FGZCHMLFOPMTRF-YFHUEUNASA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991357390 664120386 /nfs/dbraw/zinc/12/03/86/664120386.db2.gz FGZCHMLFOPMTRF-YFHUEUNASA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991357390 664120387 /nfs/dbraw/zinc/12/03/87/664120387.db2.gz FGZCHMLFOPMTRF-YFHUEUNASA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991357390 664120392 /nfs/dbraw/zinc/12/03/92/664120392.db2.gz FGZCHMLFOPMTRF-YFHUEUNASA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992120272 664665162 /nfs/dbraw/zinc/66/51/62/664665162.db2.gz AMUPQZWXTDSXFA-LZLYRXPVSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992120272 664665164 /nfs/dbraw/zinc/66/51/64/664665164.db2.gz AMUPQZWXTDSXFA-LZLYRXPVSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992120272 664665166 /nfs/dbraw/zinc/66/51/66/664665166.db2.gz AMUPQZWXTDSXFA-LZLYRXPVSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992120272 664665167 /nfs/dbraw/zinc/66/51/67/664665167.db2.gz AMUPQZWXTDSXFA-LZLYRXPVSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992488876 664726578 /nfs/dbraw/zinc/72/65/78/664726578.db2.gz BKIORTAMOCNQQH-BFYDXBDKSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992488876 664726579 /nfs/dbraw/zinc/72/65/79/664726579.db2.gz BKIORTAMOCNQQH-BFYDXBDKSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992488876 664726580 /nfs/dbraw/zinc/72/65/80/664726580.db2.gz BKIORTAMOCNQQH-BFYDXBDKSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992488876 664726581 /nfs/dbraw/zinc/72/65/81/664726581.db2.gz BKIORTAMOCNQQH-BFYDXBDKSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCO)CC3)CC1 ZINC000992513160 664730508 /nfs/dbraw/zinc/73/05/08/664730508.db2.gz VPXBUQMQMBUEKV-SJLPKXTDSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)CC1 ZINC001031434805 665149337 /nfs/dbraw/zinc/14/93/37/665149337.db2.gz FVXLKDLIQNLLSP-OAHLLOKOSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001032837234 666289120 /nfs/dbraw/zinc/28/91/20/666289120.db2.gz YAUDBPUDVOSCEK-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](CC)OC)C1 ZINC001032837156 666289182 /nfs/dbraw/zinc/28/91/82/666289182.db2.gz RMBXCZHMNZKPSD-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#C)C[C@@H]2C)CC1 ZINC000945184204 666580605 /nfs/dbraw/zinc/58/06/05/666580605.db2.gz VNFOIZLXVAXIOP-RDJZCZTQSA-N 2 1 301.434 0.791 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712681 666685765 /nfs/dbraw/zinc/68/57/65/666685765.db2.gz UZNQUKGDXBCEMO-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712681 666685766 /nfs/dbraw/zinc/68/57/66/666685766.db2.gz UZNQUKGDXBCEMO-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014712681 666685768 /nfs/dbraw/zinc/68/57/68/666685768.db2.gz UZNQUKGDXBCEMO-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014712681 666685770 /nfs/dbraw/zinc/68/57/70/666685770.db2.gz UZNQUKGDXBCEMO-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997003149 667067820 /nfs/dbraw/zinc/06/78/20/667067820.db2.gz YUIYMESYTFHQTB-AWEZNQCLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997179049 667207247 /nfs/dbraw/zinc/20/72/47/667207247.db2.gz WTWSFHAOBKOMMS-BFYDXBDKSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997179049 667207249 /nfs/dbraw/zinc/20/72/49/667207249.db2.gz WTWSFHAOBKOMMS-BFYDXBDKSA-N 2 1 321.465 0.946 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCCS(C)(=O)=O ZINC000187054385 667456330 /nfs/dbraw/zinc/45/63/30/667456330.db2.gz FEIHSFASYUJUDU-CYBMUJFWSA-N 2 1 318.487 0.590 20 30 DCEDMP C=CCOC(=O)[C@@H](N)CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000884180249 667491304 /nfs/dbraw/zinc/49/13/04/667491304.db2.gz RBBYVXPAPWSUML-KBPBESRZSA-N 2 1 311.426 0.814 20 30 DCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000884213030 667500760 /nfs/dbraw/zinc/50/07/60/667500760.db2.gz RUQLJGLTJGXACQ-KRIMKBQASA-N 2 1 302.422 0.726 20 30 DCEDMP C#CCC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872215173 667878292 /nfs/dbraw/zinc/87/82/92/667878292.db2.gz RUTCSVJCHRAPEG-MSOLQXFVSA-N 2 1 302.418 0.987 20 30 DCEDMP C#CCC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215173 667878296 /nfs/dbraw/zinc/87/82/96/667878296.db2.gz RUTCSVJCHRAPEG-MSOLQXFVSA-N 2 1 302.418 0.987 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000890371195 668123804 /nfs/dbraw/zinc/12/38/04/668123804.db2.gz OQPHRXGDZFXLGP-ZBFHGGJFSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000890371195 668123805 /nfs/dbraw/zinc/12/38/05/668123805.db2.gz OQPHRXGDZFXLGP-ZBFHGGJFSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000890371195 668123807 /nfs/dbraw/zinc/12/38/07/668123807.db2.gz OQPHRXGDZFXLGP-ZBFHGGJFSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000890371195 668123808 /nfs/dbraw/zinc/12/38/08/668123808.db2.gz OQPHRXGDZFXLGP-ZBFHGGJFSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000890373008 668124052 /nfs/dbraw/zinc/12/40/52/668124052.db2.gz OHNAIGKCVHVUMZ-OAHLLOKOSA-N 2 1 310.442 0.304 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000890373008 668124055 /nfs/dbraw/zinc/12/40/55/668124055.db2.gz OHNAIGKCVHVUMZ-OAHLLOKOSA-N 2 1 310.442 0.304 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000876764904 668505273 /nfs/dbraw/zinc/50/52/73/668505273.db2.gz PEAIPHCZCYRZPO-GXTWGEPZSA-N 2 1 314.861 0.741 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000876764904 668505276 /nfs/dbraw/zinc/50/52/76/668505276.db2.gz PEAIPHCZCYRZPO-GXTWGEPZSA-N 2 1 314.861 0.741 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000876764913 668505956 /nfs/dbraw/zinc/50/59/56/668505956.db2.gz PEAIPHCZCYRZPO-TZMCWYRMSA-N 2 1 314.861 0.741 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000876764913 668505962 /nfs/dbraw/zinc/50/59/62/668505962.db2.gz PEAIPHCZCYRZPO-TZMCWYRMSA-N 2 1 314.861 0.741 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000876782965 668510739 /nfs/dbraw/zinc/51/07/39/668510739.db2.gz XBYCSKJUBJOBNJ-DGCLKSJQSA-N 2 1 302.850 0.456 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000877199260 668574718 /nfs/dbraw/zinc/57/47/18/668574718.db2.gz KOLZDUVSIQRZCB-UHFFFAOYSA-N 2 1 313.405 0.433 20 30 DCEDMP C[NH+](C)CC1(O)CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000931486904 669211004 /nfs/dbraw/zinc/21/10/04/669211004.db2.gz LXITWGACSWOIOJ-HNNXBMFYSA-N 2 1 308.426 0.183 20 30 DCEDMP C#CCCS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000791420965 669609765 /nfs/dbraw/zinc/60/97/65/669609765.db2.gz FEKWYRQXRCNTOR-OAHLLOKOSA-N 2 1 315.483 0.687 20 30 DCEDMP C#CCCS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000791420965 669609768 /nfs/dbraw/zinc/60/97/68/669609768.db2.gz FEKWYRQXRCNTOR-OAHLLOKOSA-N 2 1 315.483 0.687 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000948069313 670053642 /nfs/dbraw/zinc/05/36/42/670053642.db2.gz FTVCLKOVECHDJY-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC000949189331 670283785 /nfs/dbraw/zinc/28/37/85/670283785.db2.gz QFZZLSCFWWPHPF-HOTGVXAUSA-N 2 1 319.449 0.511 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N1CCOCC1 ZINC000303772286 685206475 /nfs/dbraw/zinc/20/64/75/685206475.db2.gz DLSFWKLWPZOASH-CQSZACIVSA-N 2 1 311.474 0.486 20 30 DCEDMP CCC[N@H+]1CC[C@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303886293 685207896 /nfs/dbraw/zinc/20/78/96/685207896.db2.gz NPYNUOVWSDSNCU-OAHLLOKOSA-N 2 1 311.474 0.216 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@H]1CCOC1 ZINC000304761832 685212327 /nfs/dbraw/zinc/21/23/27/685212327.db2.gz UYSGLZSNGIUSKL-CABCVRRESA-N 2 1 312.458 0.818 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000958118002 687358455 /nfs/dbraw/zinc/35/84/55/687358455.db2.gz YAFJZWYHZMURFE-KBPBESRZSA-N 2 1 321.446 0.465 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344425 687562937 /nfs/dbraw/zinc/56/29/37/687562937.db2.gz HLGDLNMCULLROT-GJZGRUSLSA-N 2 1 319.405 0.387 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958581157 687769676 /nfs/dbraw/zinc/76/96/76/687769676.db2.gz MVKOECVUYFGVGL-SJORKVTESA-N 2 1 319.449 0.151 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC000958724795 687878508 /nfs/dbraw/zinc/87/85/08/687878508.db2.gz STJVNLSQPMSUOF-DLBZAZTESA-N 2 1 319.449 0.151 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959948455 688267115 /nfs/dbraw/zinc/26/71/15/688267115.db2.gz BRFKPMLNFLUORE-FOLVSLTJSA-N 2 1 315.421 0.128 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038810591 694199252 /nfs/dbraw/zinc/19/92/52/694199252.db2.gz PYQBCPGXSARJMW-HNNXBMFYSA-N 2 1 305.426 0.825 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962013297 688789419 /nfs/dbraw/zinc/78/94/19/688789419.db2.gz UQVHJGCNCGKSME-ZSHCYNCHSA-N 2 1 317.437 0.681 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962018942 688790413 /nfs/dbraw/zinc/79/04/13/688790413.db2.gz SFYMJSUOBHTHEE-FICVDOATSA-N 2 1 303.410 0.291 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)O)C2 ZINC000963960533 689113180 /nfs/dbraw/zinc/11/31/80/689113180.db2.gz DVSOGYAVWYCUEE-XZZVAGQJSA-N 2 1 319.449 0.482 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)O)C2 ZINC000963960533 689113182 /nfs/dbraw/zinc/11/31/82/689113182.db2.gz DVSOGYAVWYCUEE-XZZVAGQJSA-N 2 1 319.449 0.482 20 30 DCEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968796689 690392754 /nfs/dbraw/zinc/39/27/54/690392754.db2.gz NEOVPLSDZNNXOQ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968796689 690392757 /nfs/dbraw/zinc/39/27/57/690392757.db2.gz NEOVPLSDZNNXOQ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796689 690392760 /nfs/dbraw/zinc/39/27/60/690392760.db2.gz NEOVPLSDZNNXOQ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796689 690392763 /nfs/dbraw/zinc/39/27/63/690392763.db2.gz NEOVPLSDZNNXOQ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCO ZINC000968894040 690416486 /nfs/dbraw/zinc/41/64/86/690416486.db2.gz YQLADLVUHPHAKV-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322178 692263757 /nfs/dbraw/zinc/26/37/57/692263757.db2.gz ASEIBMLGLCKLMY-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015322178 692263761 /nfs/dbraw/zinc/26/37/61/692263761.db2.gz ASEIBMLGLCKLMY-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015322178 692263763 /nfs/dbraw/zinc/26/37/63/692263763.db2.gz ASEIBMLGLCKLMY-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001018878679 693272787 /nfs/dbraw/zinc/27/27/87/693272787.db2.gz PIPVOLHFBMWMPM-WFASDCNBSA-N 2 1 301.394 0.614 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001018878679 693272791 /nfs/dbraw/zinc/27/27/91/693272791.db2.gz PIPVOLHFBMWMPM-WFASDCNBSA-N 2 1 301.394 0.614 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433984 694726611 /nfs/dbraw/zinc/72/66/11/694726611.db2.gz YQQLIQUBFXXMBP-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001691743413 1159027223 /nfs/dbraw/zinc/02/72/23/1159027223.db2.gz GUBLICDYLZFRDW-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001570536507 1162539315 /nfs/dbraw/zinc/53/93/15/1162539315.db2.gz POPWRBOZPKEXMU-INIZCTEOSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001570536507 1162539321 /nfs/dbraw/zinc/53/93/21/1162539321.db2.gz POPWRBOZPKEXMU-INIZCTEOSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001570548009 1162541378 /nfs/dbraw/zinc/54/13/78/1162541378.db2.gz JPEBGRWNFWSQKA-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001570548009 1162541381 /nfs/dbraw/zinc/54/13/81/1162541381.db2.gz JPEBGRWNFWSQKA-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001570548009 1162541386 /nfs/dbraw/zinc/54/13/86/1162541386.db2.gz JPEBGRWNFWSQKA-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001570710030 1162591790 /nfs/dbraw/zinc/59/17/90/1162591790.db2.gz ADVJZWDVFHFRHH-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001570710030 1162591793 /nfs/dbraw/zinc/59/17/93/1162591793.db2.gz ADVJZWDVFHFRHH-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001570710030 1162591798 /nfs/dbraw/zinc/59/17/98/1162591798.db2.gz ADVJZWDVFHFRHH-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001570710030 1162591805 /nfs/dbraw/zinc/59/18/05/1162591805.db2.gz ADVJZWDVFHFRHH-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001570957054 1162654792 /nfs/dbraw/zinc/65/47/92/1162654792.db2.gz FBOFKEPNMVCZGM-PHZGNYQRSA-N 2 1 317.433 0.026 20 30 DCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001571606617 1162857418 /nfs/dbraw/zinc/85/74/18/1162857418.db2.gz RLDVGEJEWKBBDE-GOEBONIOSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001571606617 1162857427 /nfs/dbraw/zinc/85/74/27/1162857427.db2.gz RLDVGEJEWKBBDE-GOEBONIOSA-N 2 1 320.437 0.691 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691170632 1157604174 /nfs/dbraw/zinc/60/41/74/1157604174.db2.gz DSBXZLXJWPXIDD-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691170445 1157604410 /nfs/dbraw/zinc/60/44/10/1157604410.db2.gz BSQWKZOKYWJHHH-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C=C(C)C[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001692300027 1157779741 /nfs/dbraw/zinc/77/97/41/1157779741.db2.gz ABACUKULBNOKLT-HNNXBMFYSA-N 2 1 313.442 0.300 20 30 DCEDMP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001692300027 1157779745 /nfs/dbraw/zinc/77/97/45/1157779745.db2.gz ABACUKULBNOKLT-HNNXBMFYSA-N 2 1 313.442 0.300 20 30 DCEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001692300027 1157779749 /nfs/dbraw/zinc/77/97/49/1157779749.db2.gz ABACUKULBNOKLT-HNNXBMFYSA-N 2 1 313.442 0.300 20 30 DCEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001692300027 1157779756 /nfs/dbraw/zinc/77/97/56/1157779756.db2.gz ABACUKULBNOKLT-HNNXBMFYSA-N 2 1 313.442 0.300 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001571700554 1162911005 /nfs/dbraw/zinc/91/10/05/1162911005.db2.gz GVHJTIVGNXSCFY-UHFFFAOYSA-N 2 1 307.438 0.725 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001571700554 1162911009 /nfs/dbraw/zinc/91/10/09/1162911009.db2.gz GVHJTIVGNXSCFY-UHFFFAOYSA-N 2 1 307.438 0.725 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001571700554 1162911016 /nfs/dbraw/zinc/91/10/16/1162911016.db2.gz GVHJTIVGNXSCFY-UHFFFAOYSA-N 2 1 307.438 0.725 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100905001 1158240209 /nfs/dbraw/zinc/24/02/09/1158240209.db2.gz RCGQKCWULKTYFF-NFOMZHRRSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC001566461517 1159993072 /nfs/dbraw/zinc/99/30/72/1159993072.db2.gz DXROFDXSSAARBE-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C[C@H]1CCCOC1 ZINC001566461517 1159993076 /nfs/dbraw/zinc/99/30/76/1159993076.db2.gz DXROFDXSSAARBE-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C[C@H]1CCCOC1 ZINC001566461517 1159993084 /nfs/dbraw/zinc/99/30/84/1159993084.db2.gz DXROFDXSSAARBE-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C[C@H]1CCCOC1 ZINC001566461517 1159993087 /nfs/dbraw/zinc/99/30/87/1159993087.db2.gz DXROFDXSSAARBE-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001566646280 1160109570 /nfs/dbraw/zinc/10/95/70/1160109570.db2.gz QTEARZZMVNCFEO-UHFFFAOYSA-N 2 1 308.470 0.474 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566896126 1160178962 /nfs/dbraw/zinc/17/89/62/1160178962.db2.gz WQCNGJQYIYRPMQ-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001566905289 1160181523 /nfs/dbraw/zinc/18/15/23/1160181523.db2.gz OVYCKPTZFOJESN-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001567352600 1160322018 /nfs/dbraw/zinc/32/20/18/1160322018.db2.gz SJSYIBHRGNZOMN-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001567352600 1160322027 /nfs/dbraw/zinc/32/20/27/1160322027.db2.gz SJSYIBHRGNZOMN-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567352600 1160322036 /nfs/dbraw/zinc/32/20/36/1160322036.db2.gz SJSYIBHRGNZOMN-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001567352600 1160322041 /nfs/dbraw/zinc/32/20/41/1160322041.db2.gz SJSYIBHRGNZOMN-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccns1 ZINC001568997889 1160912884 /nfs/dbraw/zinc/91/28/84/1160912884.db2.gz NZVVJEVZDMSVPQ-HIFRSBDPSA-N 2 1 320.462 0.878 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccns1 ZINC001568997889 1160912891 /nfs/dbraw/zinc/91/28/91/1160912891.db2.gz NZVVJEVZDMSVPQ-HIFRSBDPSA-N 2 1 320.462 0.878 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569759945 1161231006 /nfs/dbraw/zinc/23/10/06/1161231006.db2.gz PWJUTAPTPUTAFV-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001570055184 1161394649 /nfs/dbraw/zinc/39/46/49/1161394649.db2.gz RHPJUDMXYNCFRP-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001570135775 1161430521 /nfs/dbraw/zinc/43/05/21/1161430521.db2.gz ONOBFDSWOMVGCO-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001570135775 1161430524 /nfs/dbraw/zinc/43/05/24/1161430524.db2.gz ONOBFDSWOMVGCO-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001574672708 1163738861 /nfs/dbraw/zinc/73/88/61/1163738861.db2.gz DFODOMOJGGQAAK-OAHLLOKOSA-N 2 1 320.437 0.248 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001574672708 1163738865 /nfs/dbraw/zinc/73/88/65/1163738865.db2.gz DFODOMOJGGQAAK-OAHLLOKOSA-N 2 1 320.437 0.248 20 30 DCEDMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)[C@@H]2C1 ZINC001646841589 1172559994 /nfs/dbraw/zinc/55/99/94/1172559994.db2.gz QWWNNMIKYVYOSB-NWTDKLEGSA-N 2 1 302.422 0.582 20 30 DCEDMP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001656772016 1173880820 /nfs/dbraw/zinc/88/08/20/1173880820.db2.gz RDERYDCUIYJKEB-HOTGVXAUSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001656772016 1173880824 /nfs/dbraw/zinc/88/08/24/1173880824.db2.gz RDERYDCUIYJKEB-HOTGVXAUSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001656772016 1173880827 /nfs/dbraw/zinc/88/08/27/1173880827.db2.gz RDERYDCUIYJKEB-HOTGVXAUSA-N 2 1 309.454 0.942 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCOCC)C1 ZINC001661788331 1174158152 /nfs/dbraw/zinc/15/81/52/1174158152.db2.gz MIYVDEWEUMIEMR-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCOCC)C1 ZINC001661788331 1174158156 /nfs/dbraw/zinc/15/81/56/1174158156.db2.gz MIYVDEWEUMIEMR-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001665687134 1174551787 /nfs/dbraw/zinc/55/17/87/1174551787.db2.gz XNJHALMVTWCATK-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCOC)C1 ZINC001666119567 1174587218 /nfs/dbraw/zinc/58/72/18/1174587218.db2.gz DRCXEUKDJQSJIN-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCOC)C1 ZINC001666119567 1174587224 /nfs/dbraw/zinc/58/72/24/1174587224.db2.gz DRCXEUKDJQSJIN-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001667203855 1174667829 /nfs/dbraw/zinc/66/78/29/1174667829.db2.gz MHAWQKHBBFKCCU-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001667893206 1174730414 /nfs/dbraw/zinc/73/04/14/1174730414.db2.gz DGTCWFRKTWJSIW-ZACQAIPSSA-N 2 1 315.417 0.032 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001672504499 1175120699 /nfs/dbraw/zinc/12/06/99/1175120699.db2.gz ZXXXOLLRIDVJAB-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001672504499 1175120704 /nfs/dbraw/zinc/12/07/04/1175120704.db2.gz ZXXXOLLRIDVJAB-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC#CCOC)C2 ZINC001675678042 1175385854 /nfs/dbraw/zinc/38/58/54/1175385854.db2.gz NKSCYKMUJSZHNF-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@H+](CC#CCOC)C2 ZINC001675678042 1175385859 /nfs/dbraw/zinc/38/58/59/1175385859.db2.gz NKSCYKMUJSZHNF-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@@H+](CC#CCOC)C2 ZINC001675678042 1175385864 /nfs/dbraw/zinc/38/58/64/1175385864.db2.gz NKSCYKMUJSZHNF-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[NH+]1CCN(CCCCNC(=O)NCC#CC[NH+](C)C)CC1 ZINC001675817435 1175393088 /nfs/dbraw/zinc/39/30/88/1175393088.db2.gz DZOIQUVICPFODJ-UHFFFAOYSA-N 2 1 323.485 0.268 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001677096403 1175525769 /nfs/dbraw/zinc/52/57/69/1175525769.db2.gz WWIAPBZMXVRFFZ-JKSUJKDBSA-N 2 1 309.454 0.539 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001677116941 1175530891 /nfs/dbraw/zinc/53/08/91/1175530891.db2.gz YLJOIJGASHLSOG-GOEBONIOSA-N 2 1 320.437 0.739 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC2CC2)CC1 ZINC001677185401 1175546189 /nfs/dbraw/zinc/54/61/89/1175546189.db2.gz YXYFXTKYZYXYMJ-QGZVFWFLSA-N 2 1 321.465 0.493 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCOCC)CC1 ZINC001688896651 1176649781 /nfs/dbraw/zinc/64/97/81/1176649781.db2.gz HUIJWVGDRWCCEI-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001688935842 1176659750 /nfs/dbraw/zinc/65/97/50/1176659750.db2.gz WRJSROSGKYEXID-FPCVCCKLSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001688935842 1176659753 /nfs/dbraw/zinc/65/97/53/1176659753.db2.gz WRJSROSGKYEXID-FPCVCCKLSA-N 2 1 307.438 0.603 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001689203809 1176739369 /nfs/dbraw/zinc/73/93/69/1176739369.db2.gz BRWJFWQLFONHCP-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001689203809 1176739372 /nfs/dbraw/zinc/73/93/72/1176739372.db2.gz BRWJFWQLFONHCP-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001689203809 1176739375 /nfs/dbraw/zinc/73/93/75/1176739375.db2.gz BRWJFWQLFONHCP-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@@H](C)C(=O)NC ZINC001689937656 1177120518 /nfs/dbraw/zinc/12/05/18/1177120518.db2.gz IIAJINBXUYPVOD-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)[C@@H](C)C(=O)NC ZINC001689937656 1177120523 /nfs/dbraw/zinc/12/05/23/1177120523.db2.gz IIAJINBXUYPVOD-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@@H](C)C(=O)NC ZINC001689937656 1177120525 /nfs/dbraw/zinc/12/05/25/1177120525.db2.gz IIAJINBXUYPVOD-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@@H](C)C(=O)NC ZINC001689937656 1177120538 /nfs/dbraw/zinc/12/05/38/1177120538.db2.gz IIAJINBXUYPVOD-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001690367013 1177223611 /nfs/dbraw/zinc/22/36/11/1177223611.db2.gz YAZZVNSUVUHBAF-BNOWGMLFSA-N 2 1 319.409 0.119 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001691989804 1177400065 /nfs/dbraw/zinc/40/00/65/1177400065.db2.gz OBAJAYFVHQQWKL-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001692030242 1177406337 /nfs/dbraw/zinc/40/63/37/1177406337.db2.gz HYBKZHZWPWDKLO-KRWDZBQOSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001692030242 1177406338 /nfs/dbraw/zinc/40/63/38/1177406338.db2.gz HYBKZHZWPWDKLO-KRWDZBQOSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001692030242 1177406341 /nfs/dbraw/zinc/40/63/41/1177406341.db2.gz HYBKZHZWPWDKLO-KRWDZBQOSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001692131578 1177421865 /nfs/dbraw/zinc/42/18/65/1177421865.db2.gz DWFVXPZFOPHUQZ-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001698689155 1177608950 /nfs/dbraw/zinc/60/89/50/1177608950.db2.gz CKSNRBYHRIDBIK-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001698689155 1177608952 /nfs/dbraw/zinc/60/89/52/1177608952.db2.gz CKSNRBYHRIDBIK-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001699013812 1177771754 /nfs/dbraw/zinc/77/17/54/1177771754.db2.gz AMWQWMAZRAIJJO-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699047439 1177796813 /nfs/dbraw/zinc/79/68/13/1177796813.db2.gz LKHTWXRLFIGPOA-RDJZCZTQSA-N 2 1 321.465 0.731 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699260883 1178000487 /nfs/dbraw/zinc/00/04/87/1178000487.db2.gz MCHSMYBMRIWFBT-DWMWFBOSSA-N 2 1 322.453 0.279 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001699474051 1178153696 /nfs/dbraw/zinc/15/36/96/1178153696.db2.gz HYVUCDIQFFMPRV-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001699590855 1178208406 /nfs/dbraw/zinc/20/84/06/1178208406.db2.gz WWLSHNXODIWGRX-GOEBONIOSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCOC(C)C)CC1 ZINC001699643419 1178235240 /nfs/dbraw/zinc/23/52/40/1178235240.db2.gz YIJURTFAFOILHT-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001699654666 1178240430 /nfs/dbraw/zinc/24/04/30/1178240430.db2.gz CCBNDESYYIROAB-HZPDHXFCSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001699781595 1178285415 /nfs/dbraw/zinc/28/54/15/1178285415.db2.gz YCYQMCUREVUJFJ-GOEBONIOSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCOCC1 ZINC001699881244 1178328813 /nfs/dbraw/zinc/32/88/13/1178328813.db2.gz WIWPVCPQESBTJU-INIZCTEOSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC001699884342 1178330868 /nfs/dbraw/zinc/33/08/68/1178330868.db2.gz HLXFXCOMCFLREN-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001700289403 1178568755 /nfs/dbraw/zinc/56/87/55/1178568755.db2.gz KNHHTXBFGDDUCW-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001700308734 1178574996 /nfs/dbraw/zinc/57/49/96/1178574996.db2.gz VSYBFWCEVQISPI-MRXNPFEDSA-N 2 1 321.465 0.827 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001700541162 1178650917 /nfs/dbraw/zinc/65/09/17/1178650917.db2.gz KBTUPKLVNITKOA-HYVNUMGLSA-N 2 1 321.465 0.803 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001700541162 1178650922 /nfs/dbraw/zinc/65/09/22/1178650922.db2.gz KBTUPKLVNITKOA-HYVNUMGLSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001700595069 1178672035 /nfs/dbraw/zinc/67/20/35/1178672035.db2.gz FJLHXLSHFKZHPW-PHZGNYQRSA-N 2 1 305.422 0.026 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001700638299 1178686804 /nfs/dbraw/zinc/68/68/04/1178686804.db2.gz ACTBJFBKMMSUNE-KKUMJFAQSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001707075617 1180410645 /nfs/dbraw/zinc/41/06/45/1180410645.db2.gz ICGVVKLGLABSKL-BYNSBNAKSA-N 2 1 322.453 0.113 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001707088212 1180415453 /nfs/dbraw/zinc/41/54/53/1180415453.db2.gz BXAFBMMHTVTUFJ-KKUMJFAQSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001707213476 1180438177 /nfs/dbraw/zinc/43/81/77/1180438177.db2.gz PUAXWOPCPBRHQY-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001707213476 1180438182 /nfs/dbraw/zinc/43/81/82/1180438182.db2.gz PUAXWOPCPBRHQY-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001707213476 1180438185 /nfs/dbraw/zinc/43/81/85/1180438185.db2.gz PUAXWOPCPBRHQY-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713517190 1180888699 /nfs/dbraw/zinc/88/86/99/1180888699.db2.gz FDFWGQWQFMOUPH-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713517190 1180888702 /nfs/dbraw/zinc/88/87/02/1180888702.db2.gz FDFWGQWQFMOUPH-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713517190 1180888709 /nfs/dbraw/zinc/88/87/09/1180888709.db2.gz FDFWGQWQFMOUPH-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001713551900 1180917318 /nfs/dbraw/zinc/91/73/18/1180917318.db2.gz DWRMMSADBFJLBH-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001713597848 1180954825 /nfs/dbraw/zinc/95/48/25/1180954825.db2.gz IEIXNTRLTLSNLN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCOC1CCC1 ZINC001713602306 1180959285 /nfs/dbraw/zinc/95/92/85/1180959285.db2.gz XOLAGRAVEDEWOF-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCOC1CCC1 ZINC001713602306 1180959289 /nfs/dbraw/zinc/95/92/89/1180959289.db2.gz XOLAGRAVEDEWOF-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001713744692 1181040509 /nfs/dbraw/zinc/04/05/09/1181040509.db2.gz FTWQKTFZNQNHHJ-QGZVFWFLSA-N 2 1 320.481 0.428 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713744692 1181040514 /nfs/dbraw/zinc/04/05/14/1181040514.db2.gz FTWQKTFZNQNHHJ-QGZVFWFLSA-N 2 1 320.481 0.428 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001713744692 1181040523 /nfs/dbraw/zinc/04/05/23/1181040523.db2.gz FTWQKTFZNQNHHJ-QGZVFWFLSA-N 2 1 320.481 0.428 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713744692 1181040527 /nfs/dbraw/zinc/04/05/27/1181040527.db2.gz FTWQKTFZNQNHHJ-QGZVFWFLSA-N 2 1 320.481 0.428 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713939285 1181160942 /nfs/dbraw/zinc/16/09/42/1181160942.db2.gz DOUBTZBSNFOTFJ-JYJNAYRXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713939285 1181160946 /nfs/dbraw/zinc/16/09/46/1181160946.db2.gz DOUBTZBSNFOTFJ-JYJNAYRXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713939285 1181160951 /nfs/dbraw/zinc/16/09/51/1181160951.db2.gz DOUBTZBSNFOTFJ-JYJNAYRXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001714048202 1181224370 /nfs/dbraw/zinc/22/43/70/1181224370.db2.gz LKOBZJNJOSVYCG-OAHLLOKOSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714048202 1181224373 /nfs/dbraw/zinc/22/43/73/1181224373.db2.gz LKOBZJNJOSVYCG-OAHLLOKOSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714048202 1181224376 /nfs/dbraw/zinc/22/43/76/1181224376.db2.gz LKOBZJNJOSVYCG-OAHLLOKOSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714117759 1181251775 /nfs/dbraw/zinc/25/17/75/1181251775.db2.gz CRQQFJNUKSWAGP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714117759 1181251782 /nfs/dbraw/zinc/25/17/82/1181251782.db2.gz CRQQFJNUKSWAGP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714117759 1181251791 /nfs/dbraw/zinc/25/17/91/1181251791.db2.gz CRQQFJNUKSWAGP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714117759 1181251797 /nfs/dbraw/zinc/25/17/97/1181251797.db2.gz CRQQFJNUKSWAGP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001714239939 1181290552 /nfs/dbraw/zinc/29/05/52/1181290552.db2.gz YPUCXDNBHWUPIM-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001714239939 1181290556 /nfs/dbraw/zinc/29/05/56/1181290556.db2.gz YPUCXDNBHWUPIM-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001715042142 1181668490 /nfs/dbraw/zinc/66/84/90/1181668490.db2.gz HBOAXEHWYALVQT-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001715189425 1181711860 /nfs/dbraw/zinc/71/18/60/1181711860.db2.gz GCUURTZIGXFCIF-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001715347505 1181781913 /nfs/dbraw/zinc/78/19/13/1181781913.db2.gz JCWAJMNFRBLSDQ-JSGCOSHPSA-N 2 1 321.425 0.319 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCCCC1 ZINC001715588341 1181877581 /nfs/dbraw/zinc/87/75/81/1181877581.db2.gz DJBPXUVPUJPBBK-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCCCC1 ZINC001715588341 1181877588 /nfs/dbraw/zinc/87/75/88/1181877588.db2.gz DJBPXUVPUJPBBK-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001716099993 1182190170 /nfs/dbraw/zinc/19/01/70/1182190170.db2.gz JAYONLGQEFQXBT-HIFRSBDPSA-N 2 1 306.410 0.397 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccon2)CC1 ZINC001716466402 1182401634 /nfs/dbraw/zinc/40/16/34/1182401634.db2.gz ZVPUDUHNHGUPBU-ZDUSSCGKSA-N 2 1 304.394 0.614 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001716975337 1182607865 /nfs/dbraw/zinc/60/78/65/1182607865.db2.gz LQYJDAIABVSJCY-LSDHHAIUSA-N 2 1 324.469 0.455 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001717023917 1182630072 /nfs/dbraw/zinc/63/00/72/1182630072.db2.gz ZHXSALVFLIVNFQ-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001717023917 1182630075 /nfs/dbraw/zinc/63/00/75/1182630075.db2.gz ZHXSALVFLIVNFQ-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001717023917 1182630078 /nfs/dbraw/zinc/63/00/78/1182630078.db2.gz ZHXSALVFLIVNFQ-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001717023917 1182630082 /nfs/dbraw/zinc/63/00/82/1182630082.db2.gz ZHXSALVFLIVNFQ-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001717023915 1182630372 /nfs/dbraw/zinc/63/03/72/1182630372.db2.gz ZHXSALVFLIVNFQ-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001717023915 1182630375 /nfs/dbraw/zinc/63/03/75/1182630375.db2.gz ZHXSALVFLIVNFQ-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001717023915 1182630378 /nfs/dbraw/zinc/63/03/78/1182630378.db2.gz ZHXSALVFLIVNFQ-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001717023915 1182630380 /nfs/dbraw/zinc/63/03/80/1182630380.db2.gz ZHXSALVFLIVNFQ-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001717025419 1182631713 /nfs/dbraw/zinc/63/17/13/1182631713.db2.gz HMXZLBAGQCVOCM-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001717025419 1182631715 /nfs/dbraw/zinc/63/17/15/1182631715.db2.gz HMXZLBAGQCVOCM-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001717025419 1182631719 /nfs/dbraw/zinc/63/17/19/1182631719.db2.gz HMXZLBAGQCVOCM-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001717025419 1182631724 /nfs/dbraw/zinc/63/17/24/1182631724.db2.gz HMXZLBAGQCVOCM-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001717202004 1182729769 /nfs/dbraw/zinc/72/97/69/1182729769.db2.gz MMGCJRHCGZDFSF-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2cnc[nH]2)CCOCC1 ZINC001717267710 1182758049 /nfs/dbraw/zinc/75/80/49/1182758049.db2.gz XZRTZZXDBXDWJG-AWEZNQCLSA-N 2 1 318.421 0.867 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001717324119 1182782197 /nfs/dbraw/zinc/78/21/97/1182782197.db2.gz ZPUOJUKTULEKGV-JKSUJKDBSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC(C)C)C1 ZINC001724819367 1184573532 /nfs/dbraw/zinc/57/35/32/1184573532.db2.gz XLPRATBNYOZOIY-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC(C)C)C1 ZINC001724819367 1184573538 /nfs/dbraw/zinc/57/35/38/1184573538.db2.gz XLPRATBNYOZOIY-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001724903311 1184611168 /nfs/dbraw/zinc/61/11/68/1184611168.db2.gz GKWOLVTUZMHTDG-WMZOPIPTSA-N 2 1 317.433 0.050 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001724903311 1184611174 /nfs/dbraw/zinc/61/11/74/1184611174.db2.gz GKWOLVTUZMHTDG-WMZOPIPTSA-N 2 1 317.433 0.050 20 30 DCEDMP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001725147640 1184695824 /nfs/dbraw/zinc/69/58/24/1184695824.db2.gz NBXHPOZLLCWLIM-HNNXBMFYSA-N 2 1 309.454 0.662 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001725704781 1184955554 /nfs/dbraw/zinc/95/55/54/1184955554.db2.gz KKFIQRHVJCDQPV-ZFWWWQNUSA-N 2 1 306.410 0.349 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001731446756 1185336653 /nfs/dbraw/zinc/33/66/53/1185336653.db2.gz HUWOYUPCXSAXNY-BRWVUGGUSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001733249585 1186201902 /nfs/dbraw/zinc/20/19/02/1186201902.db2.gz FXKZSWKVEPGMCP-ZDUSSCGKSA-N 2 1 319.409 0.121 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@H](C)COC)CC1 ZINC001733376079 1186246539 /nfs/dbraw/zinc/24/65/39/1186246539.db2.gz XXQCIJCNIWFDLW-HZPDHXFCSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001733491644 1186300194 /nfs/dbraw/zinc/30/01/94/1186300194.db2.gz GRFLZVMUNDAOMF-SJLPKXTDSA-N 2 1 315.417 0.476 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001733491644 1186300203 /nfs/dbraw/zinc/30/02/03/1186300203.db2.gz GRFLZVMUNDAOMF-SJLPKXTDSA-N 2 1 315.417 0.476 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001733509735 1186316235 /nfs/dbraw/zinc/31/62/35/1186316235.db2.gz SZRZHRSTPGBWNH-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001733509735 1186316240 /nfs/dbraw/zinc/31/62/40/1186316240.db2.gz SZRZHRSTPGBWNH-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001733721622 1186414444 /nfs/dbraw/zinc/41/44/44/1186414444.db2.gz HEQVXPVVTRARPW-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001733916364 1186496577 /nfs/dbraw/zinc/49/65/77/1186496577.db2.gz QCRUEWUGGTYGTA-UHFFFAOYSA-N 2 1 323.481 0.931 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001734368960 1186628678 /nfs/dbraw/zinc/62/86/78/1186628678.db2.gz MYTXFUGQMVMPAG-KGLIPLIRSA-N 2 1 306.410 0.487 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734417146 1186647726 /nfs/dbraw/zinc/64/77/26/1186647726.db2.gz POGWEXDMLCYDSE-UONOGXRCSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001734505374 1186667726 /nfs/dbraw/zinc/66/77/26/1186667726.db2.gz TUMNUIYLQSXFAY-ZIAGYGMSSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001734555994 1186690741 /nfs/dbraw/zinc/69/07/41/1186690741.db2.gz MJRUBUFNBMZFBX-KBPBESRZSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001744691477 1188228244 /nfs/dbraw/zinc/22/82/44/1188228244.db2.gz NYNJVAIHLBXFHL-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001744691477 1188228246 /nfs/dbraw/zinc/22/82/46/1188228246.db2.gz NYNJVAIHLBXFHL-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001744691477 1188228249 /nfs/dbraw/zinc/22/82/49/1188228249.db2.gz NYNJVAIHLBXFHL-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001744691477 1188228251 /nfs/dbraw/zinc/22/82/51/1188228251.db2.gz NYNJVAIHLBXFHL-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCN2CCOCC2)CC(C)(C)C1 ZINC001750942876 1188359649 /nfs/dbraw/zinc/35/96/49/1188359649.db2.gz CAIDNQDBMHUILE-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)CC(C)(C)C1 ZINC001750942876 1188359653 /nfs/dbraw/zinc/35/96/53/1188359653.db2.gz CAIDNQDBMHUILE-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)CC(C)(C)C1 ZINC001750942876 1188359659 /nfs/dbraw/zinc/35/96/59/1188359659.db2.gz CAIDNQDBMHUILE-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001752382192 1188420106 /nfs/dbraw/zinc/42/01/06/1188420106.db2.gz ZBULYZJTAXYPBO-INIZCTEOSA-N 2 1 308.470 0.781 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001753074426 1188492336 /nfs/dbraw/zinc/49/23/36/1188492336.db2.gz KZNGCADOJSQDIB-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001753074426 1188492340 /nfs/dbraw/zinc/49/23/40/1188492340.db2.gz KZNGCADOJSQDIB-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001753137455 1188511925 /nfs/dbraw/zinc/51/19/25/1188511925.db2.gz KCLIZPIJQJJZIA-OAHLLOKOSA-N 2 1 305.422 0.170 20 30 DCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001753134537 1188512358 /nfs/dbraw/zinc/51/23/58/1188512358.db2.gz BRCRUZVKDHQMRZ-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001753134537 1188512360 /nfs/dbraw/zinc/51/23/60/1188512360.db2.gz BRCRUZVKDHQMRZ-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[NH2+]C[C@](C)(NC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001753520134 1188613861 /nfs/dbraw/zinc/61/38/61/1188613861.db2.gz SUZSVBIUUJEPMY-INIZCTEOSA-N 2 1 304.394 0.858 20 30 DCEDMP C#CCC[NH2+]CCC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001753575222 1188619658 /nfs/dbraw/zinc/61/96/58/1188619658.db2.gz FZJRJRXKUPYDPE-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001754629196 1188894388 /nfs/dbraw/zinc/89/43/88/1188894388.db2.gz USUSMBXRISIWBY-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001754889941 1188964470 /nfs/dbraw/zinc/96/44/70/1188964470.db2.gz CVQHLEYFJQXAIA-OAHLLOKOSA-N 2 1 318.421 0.188 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001755339371 1189088098 /nfs/dbraw/zinc/08/80/98/1189088098.db2.gz HGKYMSXXWTVXCJ-CABCVRRESA-N 2 1 322.453 0.032 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001755339371 1189088101 /nfs/dbraw/zinc/08/81/01/1189088101.db2.gz HGKYMSXXWTVXCJ-CABCVRRESA-N 2 1 322.453 0.032 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001755458404 1189117465 /nfs/dbraw/zinc/11/74/65/1189117465.db2.gz DJAZBZSVXKRJPG-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001755787415 1189213241 /nfs/dbraw/zinc/21/32/41/1189213241.db2.gz VORNQJMHYUXZRZ-GDBMZVCRSA-N 2 1 318.421 0.186 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001755865816 1189239456 /nfs/dbraw/zinc/23/94/56/1189239456.db2.gz RYQBNIAFBZRXRU-UHFFFAOYSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001098536430 747060910 /nfs/dbraw/zinc/06/09/10/747060910.db2.gz KPYWEAKJEYPQRI-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)n3ccnc3)[C@H]2C1 ZINC001083209827 747160100 /nfs/dbraw/zinc/16/01/00/747160100.db2.gz XMKIXUFHEFVWIK-OWCLPIDISA-N 2 1 316.405 0.769 20 30 DCEDMP C#CCCN1C[C@H]2OCCN(C(=O)C[C@@H](C)n3ccnc3)[C@H]2C1 ZINC001083209827 747160103 /nfs/dbraw/zinc/16/01/03/747160103.db2.gz XMKIXUFHEFVWIK-OWCLPIDISA-N 2 1 316.405 0.769 20 30 DCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345800 747244753 /nfs/dbraw/zinc/24/47/53/747244753.db2.gz UOETUUGKQLTKOW-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345800 747244759 /nfs/dbraw/zinc/24/47/59/747244759.db2.gz UOETUUGKQLTKOW-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001083278978 747772988 /nfs/dbraw/zinc/77/29/88/747772988.db2.gz BQJUSEDOYSHPFT-XHSDSOJGSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001083278978 747772992 /nfs/dbraw/zinc/77/29/92/747772992.db2.gz BQJUSEDOYSHPFT-XHSDSOJGSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083278978 747772996 /nfs/dbraw/zinc/77/29/96/747772996.db2.gz BQJUSEDOYSHPFT-XHSDSOJGSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083278978 747773000 /nfs/dbraw/zinc/77/30/00/747773000.db2.gz BQJUSEDOYSHPFT-XHSDSOJGSA-N 2 1 323.437 0.195 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042137 748011518 /nfs/dbraw/zinc/01/15/18/748011518.db2.gz PMRVIBRZGMNTBF-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042137 748011524 /nfs/dbraw/zinc/01/15/24/748011524.db2.gz PMRVIBRZGMNTBF-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920232 749133145 /nfs/dbraw/zinc/13/31/45/749133145.db2.gz IJSUPRQMFGSRRQ-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920232 749133149 /nfs/dbraw/zinc/13/31/49/749133149.db2.gz IJSUPRQMFGSRRQ-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920232 749133154 /nfs/dbraw/zinc/13/31/54/749133154.db2.gz IJSUPRQMFGSRRQ-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920232 749133156 /nfs/dbraw/zinc/13/31/56/749133156.db2.gz IJSUPRQMFGSRRQ-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011997 749190297 /nfs/dbraw/zinc/19/02/97/749190297.db2.gz OBHUWSXAPOEBNM-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011997 749190301 /nfs/dbraw/zinc/19/03/01/749190301.db2.gz OBHUWSXAPOEBNM-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011997 749190303 /nfs/dbraw/zinc/19/03/03/749190303.db2.gz OBHUWSXAPOEBNM-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011997 749190306 /nfs/dbraw/zinc/19/03/06/749190306.db2.gz OBHUWSXAPOEBNM-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465778 749925029 /nfs/dbraw/zinc/92/50/29/749925029.db2.gz RQQDLOKCLYNMST-OAGGEKHMSA-N 2 1 307.438 0.456 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077128123 750215015 /nfs/dbraw/zinc/21/50/15/750215015.db2.gz YATFTGZAYSJMFJ-BZUAXINKSA-N 2 1 309.454 0.702 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128123 750215018 /nfs/dbraw/zinc/21/50/18/750215018.db2.gz YATFTGZAYSJMFJ-BZUAXINKSA-N 2 1 309.454 0.702 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128123 750215023 /nfs/dbraw/zinc/21/50/23/750215023.db2.gz YATFTGZAYSJMFJ-BZUAXINKSA-N 2 1 309.454 0.702 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCOC)[C@H](C)C1 ZINC001106266479 751074054 /nfs/dbraw/zinc/07/40/54/751074054.db2.gz MGJLJBXRACCOBA-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCOC)[C@H](C)C1 ZINC001106266479 751074057 /nfs/dbraw/zinc/07/40/57/751074057.db2.gz MGJLJBXRACCOBA-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122536231 751089933 /nfs/dbraw/zinc/08/99/33/751089933.db2.gz VTCKULMTHRIHFD-JKSUJKDBSA-N 2 1 305.422 0.047 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077777678 752521155 /nfs/dbraw/zinc/52/11/55/752521155.db2.gz WECNCRPHPXARKL-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777678 752521163 /nfs/dbraw/zinc/52/11/63/752521163.db2.gz WECNCRPHPXARKL-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777678 752521169 /nfs/dbraw/zinc/52/11/69/752521169.db2.gz WECNCRPHPXARKL-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046037597 753440339 /nfs/dbraw/zinc/44/03/39/753440339.db2.gz UFYJFJBZUKLENV-SJORKVTESA-N 2 1 322.497 0.977 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062993 753456950 /nfs/dbraw/zinc/45/69/50/753456950.db2.gz KEQVIEOQIREKHB-CVEARBPZSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501172 753753013 /nfs/dbraw/zinc/75/30/13/753753013.db2.gz LHOUKPOLQYOYEM-CQDXFGNVSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501172 753753017 /nfs/dbraw/zinc/75/30/17/753753017.db2.gz LHOUKPOLQYOYEM-CQDXFGNVSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501172 753753021 /nfs/dbraw/zinc/75/30/21/753753021.db2.gz LHOUKPOLQYOYEM-CQDXFGNVSA-N 2 1 317.433 0.454 20 30 DCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380881 754229139 /nfs/dbraw/zinc/22/91/39/754229139.db2.gz ZKFSQKJAOPMCSC-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047380881 754229147 /nfs/dbraw/zinc/22/91/47/754229147.db2.gz ZKFSQKJAOPMCSC-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047380881 754229154 /nfs/dbraw/zinc/22/91/54/754229154.db2.gz ZKFSQKJAOPMCSC-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047409307 754258281 /nfs/dbraw/zinc/25/82/81/754258281.db2.gz RSNXHCCCVFIPOL-IKGGRYGDSA-N 2 1 321.465 0.776 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047409307 754258284 /nfs/dbraw/zinc/25/82/84/754258284.db2.gz RSNXHCCCVFIPOL-IKGGRYGDSA-N 2 1 321.465 0.776 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047409307 754258286 /nfs/dbraw/zinc/25/82/86/754258286.db2.gz RSNXHCCCVFIPOL-IKGGRYGDSA-N 2 1 321.465 0.776 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001047409307 754258288 /nfs/dbraw/zinc/25/82/88/754258288.db2.gz RSNXHCCCVFIPOL-IKGGRYGDSA-N 2 1 321.465 0.776 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047472871 754312404 /nfs/dbraw/zinc/31/24/04/754312404.db2.gz MHOFMFMZYAGHOW-YESZJQIVSA-N 2 1 321.465 0.940 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047472871 754312407 /nfs/dbraw/zinc/31/24/07/754312407.db2.gz MHOFMFMZYAGHOW-YESZJQIVSA-N 2 1 321.465 0.940 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592434 754419060 /nfs/dbraw/zinc/41/90/60/754419060.db2.gz PABNZTRDIFVPED-IRXDYDNUSA-N 2 1 319.449 0.245 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592434 754419062 /nfs/dbraw/zinc/41/90/62/754419062.db2.gz PABNZTRDIFVPED-IRXDYDNUSA-N 2 1 319.449 0.245 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219922 754570486 /nfs/dbraw/zinc/57/04/86/754570486.db2.gz OJDMKTPOAPNWNR-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215424 755185929 /nfs/dbraw/zinc/18/59/29/755185929.db2.gz CZSSILBCMYLTMF-YESZJQIVSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391476 755247872 /nfs/dbraw/zinc/24/78/72/755247872.db2.gz LSTWLAKMLLXAMA-XHSDSOJGSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049548719 755311449 /nfs/dbraw/zinc/31/14/49/755311449.db2.gz LUCIIVXEGBJVOU-LVQVYYBASA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049548719 755311454 /nfs/dbraw/zinc/31/14/54/755311454.db2.gz LUCIIVXEGBJVOU-LVQVYYBASA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049548719 755311458 /nfs/dbraw/zinc/31/14/58/755311458.db2.gz LUCIIVXEGBJVOU-LVQVYYBASA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049548719 755311461 /nfs/dbraw/zinc/31/14/61/755311461.db2.gz LUCIIVXEGBJVOU-LVQVYYBASA-N 2 1 305.422 0.404 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791464 755401707 /nfs/dbraw/zinc/40/17/07/755401707.db2.gz VHLAMTYEFPDONC-IAGOWNOFSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791464 755401714 /nfs/dbraw/zinc/40/17/14/755401714.db2.gz VHLAMTYEFPDONC-IAGOWNOFSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799334 756812870 /nfs/dbraw/zinc/81/28/70/756812870.db2.gz MCCCQBRUUGLHSJ-ARFHVFGLSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799334 756812873 /nfs/dbraw/zinc/81/28/73/756812873.db2.gz MCCCQBRUUGLHSJ-ARFHVFGLSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799334 756812879 /nfs/dbraw/zinc/81/28/79/756812879.db2.gz MCCCQBRUUGLHSJ-ARFHVFGLSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799334 756812882 /nfs/dbraw/zinc/81/28/82/756812882.db2.gz MCCCQBRUUGLHSJ-ARFHVFGLSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC)C[C@H]2OC)CC1 ZINC001082383289 757089035 /nfs/dbraw/zinc/08/90/35/757089035.db2.gz PXICYKSNGDJFCB-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082557974 757186703 /nfs/dbraw/zinc/18/67/03/757186703.db2.gz RTGSZBDIZAXQII-BZUAXINKSA-N 2 1 319.453 0.826 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001083938544 757560102 /nfs/dbraw/zinc/56/01/02/757560102.db2.gz FOPCMPXLZPWCPS-IKGGRYGDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083938544 757560112 /nfs/dbraw/zinc/56/01/12/757560112.db2.gz FOPCMPXLZPWCPS-IKGGRYGDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938544 757560122 /nfs/dbraw/zinc/56/01/22/757560122.db2.gz FOPCMPXLZPWCPS-IKGGRYGDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938544 757560128 /nfs/dbraw/zinc/56/01/28/757560128.db2.gz FOPCMPXLZPWCPS-IKGGRYGDSA-N 2 1 321.465 0.826 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182508 757561459 /nfs/dbraw/zinc/56/14/59/757561459.db2.gz HQPRAAGKTYAAMP-JKSUJKDBSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@@H]2O)CC1 ZINC001084087816 757667484 /nfs/dbraw/zinc/66/74/84/757667484.db2.gz AVEWTKVILUUUJS-CVEARBPZSA-N 2 1 305.422 0.069 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525241 757795622 /nfs/dbraw/zinc/79/56/22/757795622.db2.gz DDRDDCPUPKUXHR-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532851 757897679 /nfs/dbraw/zinc/89/76/79/757897679.db2.gz RQBUUSWWILFPKP-DSZOFWSKSA-N 2 1 317.433 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532851 757897686 /nfs/dbraw/zinc/89/76/86/757897686.db2.gz RQBUUSWWILFPKP-DSZOFWSKSA-N 2 1 317.433 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532851 757897693 /nfs/dbraw/zinc/89/76/93/757897693.db2.gz RQBUUSWWILFPKP-DSZOFWSKSA-N 2 1 317.433 0.568 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532678 757898029 /nfs/dbraw/zinc/89/80/29/757898029.db2.gz JGYRPZOMJVBTKR-YLADIXGZSA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532678 757898037 /nfs/dbraw/zinc/89/80/37/757898037.db2.gz JGYRPZOMJVBTKR-YLADIXGZSA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532678 757898045 /nfs/dbraw/zinc/89/80/45/757898045.db2.gz JGYRPZOMJVBTKR-YLADIXGZSA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532678 757898051 /nfs/dbraw/zinc/89/80/51/757898051.db2.gz JGYRPZOMJVBTKR-YLADIXGZSA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCOC)C[C@H]32)CC1 ZINC001084850137 758086224 /nfs/dbraw/zinc/08/62/24/758086224.db2.gz LTCSOBRRODLWQT-IAGOWNOFSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085098340 758210717 /nfs/dbraw/zinc/21/07/17/758210717.db2.gz LXHULAKNZQCJNX-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085098340 758210726 /nfs/dbraw/zinc/21/07/26/758210726.db2.gz LXHULAKNZQCJNX-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085098340 758210735 /nfs/dbraw/zinc/21/07/35/758210735.db2.gz LXHULAKNZQCJNX-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085098340 758210743 /nfs/dbraw/zinc/21/07/43/758210743.db2.gz LXHULAKNZQCJNX-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001098385742 759006948 /nfs/dbraw/zinc/00/69/48/759006948.db2.gz FSCVRFYPLWDOTH-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001098385742 759006957 /nfs/dbraw/zinc/00/69/57/759006957.db2.gz FSCVRFYPLWDOTH-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001098385742 759006971 /nfs/dbraw/zinc/00/69/71/759006971.db2.gz FSCVRFYPLWDOTH-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@@H+]1C ZINC001052029799 759128708 /nfs/dbraw/zinc/12/87/08/759128708.db2.gz BJVHVHIATUICAT-OWCLPIDISA-N 2 1 319.453 0.069 20 30 DCEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001052029799 759128712 /nfs/dbraw/zinc/12/87/12/759128712.db2.gz BJVHVHIATUICAT-OWCLPIDISA-N 2 1 319.453 0.069 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117071 759189426 /nfs/dbraw/zinc/18/94/26/759189426.db2.gz FOMWIBBWVPZLSH-HOTGVXAUSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117071 759189430 /nfs/dbraw/zinc/18/94/30/759189430.db2.gz FOMWIBBWVPZLSH-HOTGVXAUSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117071 759189434 /nfs/dbraw/zinc/18/94/34/759189434.db2.gz FOMWIBBWVPZLSH-HOTGVXAUSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117071 759189440 /nfs/dbraw/zinc/18/94/40/759189440.db2.gz FOMWIBBWVPZLSH-HOTGVXAUSA-N 2 1 306.454 0.343 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098392798 759249943 /nfs/dbraw/zinc/24/99/43/759249943.db2.gz YZTJTRQZQZGFQZ-MRXNPFEDSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@H](C)O)CC1 ZINC001085987024 759546929 /nfs/dbraw/zinc/54/69/29/759546929.db2.gz RPUOSKSXTVIYEI-GOEBONIOSA-N 2 1 307.438 0.245 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001098399150 759571098 /nfs/dbraw/zinc/57/10/98/759571098.db2.gz ACRVNAWFDQMFQR-KRWDZBQOSA-N 2 1 323.481 0.881 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086151226 759768010 /nfs/dbraw/zinc/76/80/10/759768010.db2.gz RXLOYOHLIOZGJA-CLEAANHHSA-N 2 1 319.449 0.910 20 30 DCEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001169562471 760728329 /nfs/dbraw/zinc/72/83/29/760728329.db2.gz DKISDWOGSKRLRT-GOSISDBHSA-N 2 1 320.481 0.899 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070310307 761167977 /nfs/dbraw/zinc/16/79/77/761167977.db2.gz UWMWJQZKBBSUHV-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123694274 768045209 /nfs/dbraw/zinc/04/52/09/768045209.db2.gz JCBPQDGGQBUXDC-ZBFHGGJFSA-N 2 1 321.469 0.018 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847952 761577382 /nfs/dbraw/zinc/57/73/82/761577382.db2.gz ORYPLMAXUKSTQK-PMPSAXMXSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847952 761577390 /nfs/dbraw/zinc/57/73/90/761577390.db2.gz ORYPLMAXUKSTQK-PMPSAXMXSA-N 2 1 305.422 0.454 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241514 761732429 /nfs/dbraw/zinc/73/24/29/761732429.db2.gz WDYJTJICVBGIBR-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001099169743 762825048 /nfs/dbraw/zinc/82/50/48/762825048.db2.gz XRHNQEFWMSJVBB-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001099169743 762825053 /nfs/dbraw/zinc/82/50/53/762825053.db2.gz XRHNQEFWMSJVBB-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099169743 762825058 /nfs/dbraw/zinc/82/50/58/762825058.db2.gz XRHNQEFWMSJVBB-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099169743 762825061 /nfs/dbraw/zinc/82/50/61/762825061.db2.gz XRHNQEFWMSJVBB-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101663 762857758 /nfs/dbraw/zinc/85/77/58/762857758.db2.gz ZCNHDRVUUVSJBS-WCVJEAGWSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101663 762857764 /nfs/dbraw/zinc/85/77/64/762857764.db2.gz ZCNHDRVUUVSJBS-WCVJEAGWSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101663 762857771 /nfs/dbraw/zinc/85/77/71/762857771.db2.gz ZCNHDRVUUVSJBS-WCVJEAGWSA-N 2 1 307.438 0.862 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938226 763143790 /nfs/dbraw/zinc/14/37/90/763143790.db2.gz SKAIAVKHHJBFMH-JKSUJKDBSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130711658 763451460 /nfs/dbraw/zinc/45/14/60/763451460.db2.gz ZSMGEXCOSFBXHJ-AWEZNQCLSA-N 2 1 310.442 0.115 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130708640 763455374 /nfs/dbraw/zinc/45/53/74/763455374.db2.gz BUFJEQYTABEYAJ-LSDHHAIUSA-N 2 1 324.469 0.503 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001100676904 763716885 /nfs/dbraw/zinc/71/68/85/763716885.db2.gz URXOLCNWOOBGSO-FHERZECASA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CCN1C[C@@H](NC(=O)Cc2cncn2C)CC[C@@H]1C ZINC001132425945 764452892 /nfs/dbraw/zinc/45/28/92/764452892.db2.gz PIOZPUOAHOUVCD-GJZGRUSLSA-N 2 1 318.421 0.582 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045274 764506042 /nfs/dbraw/zinc/50/60/42/764506042.db2.gz ZMKVBNIKNPSSQQ-BZUAXINKSA-N 2 1 317.437 0.131 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045274 764506047 /nfs/dbraw/zinc/50/60/47/764506047.db2.gz ZMKVBNIKNPSSQQ-BZUAXINKSA-N 2 1 317.437 0.131 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366606 764614759 /nfs/dbraw/zinc/61/47/59/764614759.db2.gz KZUUVLIAZYLKTN-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366606 764614768 /nfs/dbraw/zinc/61/47/68/764614768.db2.gz KZUUVLIAZYLKTN-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366606 764614776 /nfs/dbraw/zinc/61/47/76/764614776.db2.gz KZUUVLIAZYLKTN-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C)[NH+](C)C ZINC001102378100 764619689 /nfs/dbraw/zinc/61/96/89/764619689.db2.gz ODMAFZHJPIDEEF-OAGGEKHMSA-N 2 1 309.454 0.661 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893322 764713323 /nfs/dbraw/zinc/71/33/23/764713323.db2.gz NKPTWZLGYZUYDW-MJBXVCDLSA-N 2 1 310.442 0.113 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133004841 764777934 /nfs/dbraw/zinc/77/79/34/764777934.db2.gz LXUWPODJDJYMHS-CQSZACIVSA-N 2 1 304.394 0.110 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134606774 765600175 /nfs/dbraw/zinc/60/01/75/765600175.db2.gz ASJDFUIUDTWMJH-KGLIPLIRSA-N 2 1 324.469 0.646 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134766343 765660801 /nfs/dbraw/zinc/66/08/01/765660801.db2.gz FTFRQHWTGKARSZ-LSDHHAIUSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001159327375 765753300 /nfs/dbraw/zinc/75/33/00/765753300.db2.gz HSOIZKGOPPOLTC-AWEZNQCLSA-N 2 1 310.442 0.259 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090650343 766438312 /nfs/dbraw/zinc/43/83/12/766438312.db2.gz JUULTPYGARYTOM-IAGOWNOFSA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090650343 766438320 /nfs/dbraw/zinc/43/83/20/766438320.db2.gz JUULTPYGARYTOM-IAGOWNOFSA-N 2 1 315.417 0.546 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090732187 766528664 /nfs/dbraw/zinc/52/86/64/766528664.db2.gz AIRXXPJXUAPVFJ-GDBMZVCRSA-N 2 1 316.405 0.336 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090732187 766528668 /nfs/dbraw/zinc/52/86/68/766528668.db2.gz AIRXXPJXUAPVFJ-GDBMZVCRSA-N 2 1 316.405 0.336 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001090830595 766649423 /nfs/dbraw/zinc/64/94/23/766649423.db2.gz NNVRQXMQKJRSCD-SJORKVTESA-N 2 1 319.449 0.293 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091095857 766936996 /nfs/dbraw/zinc/93/69/96/766936996.db2.gz HEUSVSTYLLSMIL-BLYZHGLHSA-N 2 1 315.845 0.942 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091095857 766937004 /nfs/dbraw/zinc/93/70/04/766937004.db2.gz HEUSVSTYLLSMIL-BLYZHGLHSA-N 2 1 315.845 0.942 20 30 DCEDMP C#CCN1C(=O)C[C@@H](N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)C1=O ZINC001120771078 767196138 /nfs/dbraw/zinc/19/61/38/767196138.db2.gz LACRATJIHCJDHJ-OLMNPRSZSA-N 2 1 315.417 0.555 20 30 DCEDMP C#CCN1C(=O)C[C@@H]([NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)C1=O ZINC001120771078 767196139 /nfs/dbraw/zinc/19/61/39/767196139.db2.gz LACRATJIHCJDHJ-OLMNPRSZSA-N 2 1 315.417 0.555 20 30 DCEDMP C#CCN1C(=O)C[C@@H]([N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)C1=O ZINC001120771078 767196145 /nfs/dbraw/zinc/19/61/45/767196145.db2.gz LACRATJIHCJDHJ-OLMNPRSZSA-N 2 1 315.417 0.555 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001125214411 768375125 /nfs/dbraw/zinc/37/51/25/768375125.db2.gz SNIXLUBWOAABHU-OAHLLOKOSA-N 2 1 320.368 0.234 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001125214411 768375135 /nfs/dbraw/zinc/37/51/35/768375135.db2.gz SNIXLUBWOAABHU-OAHLLOKOSA-N 2 1 320.368 0.234 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842737 768402476 /nfs/dbraw/zinc/40/24/76/768402476.db2.gz MZTMUJSPSYGTSK-HCBPCCMXSA-N 2 1 319.449 0.720 20 30 DCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842737 768402480 /nfs/dbraw/zinc/40/24/80/768402480.db2.gz MZTMUJSPSYGTSK-HCBPCCMXSA-N 2 1 319.449 0.720 20 30 DCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842737 768402485 /nfs/dbraw/zinc/40/24/85/768402485.db2.gz MZTMUJSPSYGTSK-HCBPCCMXSA-N 2 1 319.449 0.720 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001149803642 768864346 /nfs/dbraw/zinc/86/43/46/768864346.db2.gz BMMVVIQPGYBSEC-CABCVRRESA-N 2 1 313.417 0.507 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001149803642 768864355 /nfs/dbraw/zinc/86/43/55/768864355.db2.gz BMMVVIQPGYBSEC-CABCVRRESA-N 2 1 313.417 0.507 20 30 DCEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983161 768920640 /nfs/dbraw/zinc/92/06/40/768920640.db2.gz QJCYQQDLRRIGJZ-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983161 768920643 /nfs/dbraw/zinc/92/06/43/768920643.db2.gz QJCYQQDLRRIGJZ-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150723362 769170800 /nfs/dbraw/zinc/17/08/00/769170800.db2.gz KCNPVXUQKQRUSE-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150723362 769170802 /nfs/dbraw/zinc/17/08/02/769170802.db2.gz KCNPVXUQKQRUSE-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNC(=S)NCC[NH+](C)C ZINC001239379112 770215263 /nfs/dbraw/zinc/21/52/63/770215263.db2.gz IXXBIPFQAMYXBU-LBPRGKRZSA-N 2 1 316.471 0.239 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001180135821 771061002 /nfs/dbraw/zinc/06/10/02/771061002.db2.gz KTNFPFSGZNXIFW-PMPSAXMXSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158485970 771781619 /nfs/dbraw/zinc/78/16/19/771781619.db2.gz CMBHLEXWDZHICN-QWHCGFSZSA-N 2 1 301.818 0.698 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159877100 771971466 /nfs/dbraw/zinc/97/14/66/771971466.db2.gz NKJGWIVLBMTMLT-OAHLLOKOSA-N 2 1 323.441 0.112 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160267713 772015632 /nfs/dbraw/zinc/01/56/32/772015632.db2.gz QMIBXJGKDHYOPT-CQSZACIVSA-N 2 1 310.442 0.259 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161649624 772259787 /nfs/dbraw/zinc/25/97/87/772259787.db2.gz PITVRSYRSHMBHG-INIZCTEOSA-N 2 1 309.454 0.853 20 30 DCEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001188313708 772286815 /nfs/dbraw/zinc/28/68/15/772286815.db2.gz ANRGVUKTGDZZEM-ARFHVFGLSA-N 2 1 307.438 0.509 20 30 DCEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001188313708 772286817 /nfs/dbraw/zinc/28/68/17/772286817.db2.gz ANRGVUKTGDZZEM-ARFHVFGLSA-N 2 1 307.438 0.509 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001161908172 772298274 /nfs/dbraw/zinc/29/82/74/772298274.db2.gz KZMVCZIUQXESGS-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161908172 772298275 /nfs/dbraw/zinc/29/82/75/772298275.db2.gz KZMVCZIUQXESGS-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161908172 772298276 /nfs/dbraw/zinc/29/82/76/772298276.db2.gz KZMVCZIUQXESGS-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161908172 772298278 /nfs/dbraw/zinc/29/82/78/772298278.db2.gz KZMVCZIUQXESGS-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCOC)CC1 ZINC001205479742 772994897 /nfs/dbraw/zinc/99/48/97/772994897.db2.gz VWFCMWMEYDQJNB-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCOC)CC1 ZINC001205479742 772994899 /nfs/dbraw/zinc/99/48/99/772994899.db2.gz VWFCMWMEYDQJNB-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCOCC)CC1 ZINC001205479486 772995077 /nfs/dbraw/zinc/99/50/77/772995077.db2.gz ONJJBKBQWYBSMI-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCOCC)CC1 ZINC001205479486 772995080 /nfs/dbraw/zinc/99/50/80/772995080.db2.gz ONJJBKBQWYBSMI-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206930181 773138288 /nfs/dbraw/zinc/13/82/88/773138288.db2.gz WIIOCTAPTCVRQM-UHFFFAOYSA-N 2 1 318.421 0.670 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041314 773143786 /nfs/dbraw/zinc/14/37/86/773143786.db2.gz XDHVCFBXEDLOKB-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](C)OC)C2)CC1 ZINC001194247348 773167458 /nfs/dbraw/zinc/16/74/58/773167458.db2.gz XBNACOJAMLXRAI-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208707961 773516515 /nfs/dbraw/zinc/51/65/15/773516515.db2.gz NYMFWDCHZAEUJI-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210492936 773713285 /nfs/dbraw/zinc/71/32/85/773713285.db2.gz GIFTYRFPHCVCRZ-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCOC)C1 ZINC001214879449 774021403 /nfs/dbraw/zinc/02/14/03/774021403.db2.gz YCMVUFXKXCPSAS-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCOC)C1 ZINC001214879449 774021410 /nfs/dbraw/zinc/02/14/10/774021410.db2.gz YCMVUFXKXCPSAS-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392663 774068680 /nfs/dbraw/zinc/06/86/80/774068680.db2.gz ABJSTEFNVDOHID-OAGGEKHMSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392663 774068686 /nfs/dbraw/zinc/06/86/86/774068686.db2.gz ABJSTEFNVDOHID-OAGGEKHMSA-N 2 1 307.438 0.555 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215535971 774081877 /nfs/dbraw/zinc/08/18/77/774081877.db2.gz BDQWSTRYOPDQAS-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403604 774501598 /nfs/dbraw/zinc/50/15/98/774501598.db2.gz NCZJIDUVDJUANQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCCO1 ZINC001201640099 774530828 /nfs/dbraw/zinc/53/08/28/774530828.db2.gz SHIUGFTZVCRDRC-MRXNPFEDSA-N 2 1 318.421 0.812 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201862441 774559698 /nfs/dbraw/zinc/55/96/98/774559698.db2.gz AVUNLLVTKYDCCU-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202163274 774609390 /nfs/dbraw/zinc/60/93/90/774609390.db2.gz FUDLJMAEAODVPK-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803906 774613969 /nfs/dbraw/zinc/61/39/69/774613969.db2.gz HNYWIDXSXKNLKO-ILXRZTDVSA-N 2 1 318.421 0.888 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803906 774613972 /nfs/dbraw/zinc/61/39/72/774613972.db2.gz HNYWIDXSXKNLKO-ILXRZTDVSA-N 2 1 318.421 0.888 20 30 DCEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC1CC[NH+](CCF)CC1 ZINC001220435574 774807954 /nfs/dbraw/zinc/80/79/54/774807954.db2.gz JODOHMZCGXTFDW-INIZCTEOSA-N 2 1 318.396 0.978 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405783 774841488 /nfs/dbraw/zinc/84/14/88/774841488.db2.gz ZVFBVKBCBMRVDT-BARDWOONSA-N 2 1 303.410 0.046 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405783 774841499 /nfs/dbraw/zinc/84/14/99/774841499.db2.gz ZVFBVKBCBMRVDT-BARDWOONSA-N 2 1 303.410 0.046 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCOC)C[C@H]21 ZINC001114421026 774854407 /nfs/dbraw/zinc/85/44/07/774854407.db2.gz LVERIJVZPAMDLE-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCOC)C[C@H]21 ZINC001114421026 774854416 /nfs/dbraw/zinc/85/44/16/774854416.db2.gz LVERIJVZPAMDLE-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCOC)C[C@H]21 ZINC001114421026 774854426 /nfs/dbraw/zinc/85/44/26/774854426.db2.gz LVERIJVZPAMDLE-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCOC)C[C@H]21 ZINC001114421026 774854438 /nfs/dbraw/zinc/85/44/38/774854438.db2.gz LVERIJVZPAMDLE-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114831770 776198314 /nfs/dbraw/zinc/19/83/14/776198314.db2.gz FIOWSCYJENINFG-AIANPOQGSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001114831770 776198320 /nfs/dbraw/zinc/19/83/20/776198320.db2.gz FIOWSCYJENINFG-AIANPOQGSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001114831770 776198325 /nfs/dbraw/zinc/19/83/25/776198325.db2.gz FIOWSCYJENINFG-AIANPOQGSA-N 2 1 305.422 0.167 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167196 777103885 /nfs/dbraw/zinc/10/38/85/777103885.db2.gz KLCYRNVCCWVBLJ-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167196 777103889 /nfs/dbraw/zinc/10/38/89/777103889.db2.gz KLCYRNVCCWVBLJ-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167196 777103897 /nfs/dbraw/zinc/10/38/97/777103897.db2.gz KLCYRNVCCWVBLJ-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167196 777103899 /nfs/dbraw/zinc/10/38/99/777103899.db2.gz KLCYRNVCCWVBLJ-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167966 777105644 /nfs/dbraw/zinc/10/56/44/777105644.db2.gz SJBUIXJGSVJVGR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167966 777105651 /nfs/dbraw/zinc/10/56/51/777105651.db2.gz SJBUIXJGSVJVGR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167966 777105657 /nfs/dbraw/zinc/10/56/57/777105657.db2.gz SJBUIXJGSVJVGR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167966 777105665 /nfs/dbraw/zinc/10/56/65/777105665.db2.gz SJBUIXJGSVJVGR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317655276 945147819 /nfs/dbraw/zinc/14/78/19/945147819.db2.gz PAEAVNQSQSRHAB-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266251842 939027153 /nfs/dbraw/zinc/02/71/53/939027153.db2.gz HJRKNWXJLGJRMH-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266251842 939027155 /nfs/dbraw/zinc/02/71/55/939027155.db2.gz HJRKNWXJLGJRMH-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251842 939027157 /nfs/dbraw/zinc/02/71/57/939027157.db2.gz HJRKNWXJLGJRMH-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251842 939027159 /nfs/dbraw/zinc/02/71/59/939027159.db2.gz HJRKNWXJLGJRMH-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001266294854 939055335 /nfs/dbraw/zinc/05/53/35/939055335.db2.gz NHJKAYVGNGFINW-DLBZAZTESA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001266294854 939055337 /nfs/dbraw/zinc/05/53/37/939055337.db2.gz NHJKAYVGNGFINW-DLBZAZTESA-N 2 1 318.465 0.370 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266415390 939110889 /nfs/dbraw/zinc/11/08/89/939110889.db2.gz UPOUPHBBYWJIDR-LSDHHAIUSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC001480876149 939133375 /nfs/dbraw/zinc/13/33/75/939133375.db2.gz ZJWHIDCIXJPVHO-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H]1CCCOC1 ZINC001480876149 939133378 /nfs/dbraw/zinc/13/33/78/939133378.db2.gz ZJWHIDCIXJPVHO-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H]1CCCOC1 ZINC001480876149 939133382 /nfs/dbraw/zinc/13/33/82/939133382.db2.gz ZJWHIDCIXJPVHO-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H]1CCCOC1 ZINC001480876149 939133384 /nfs/dbraw/zinc/13/33/84/939133384.db2.gz ZJWHIDCIXJPVHO-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCNC(=O)CN1CCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001266859446 939257064 /nfs/dbraw/zinc/25/70/64/939257064.db2.gz YUEBKXGWQFCFDM-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267225984 939395386 /nfs/dbraw/zinc/39/53/86/939395386.db2.gz JPLPBLSYQOTLFI-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267225984 939395389 /nfs/dbraw/zinc/39/53/89/939395389.db2.gz JPLPBLSYQOTLFI-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267225984 939395391 /nfs/dbraw/zinc/39/53/91/939395391.db2.gz JPLPBLSYQOTLFI-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267225984 939395395 /nfs/dbraw/zinc/39/53/95/939395395.db2.gz JPLPBLSYQOTLFI-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCOCC ZINC001267269471 939410925 /nfs/dbraw/zinc/41/09/25/939410925.db2.gz OBZGPEOEXRSCKZ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001267277391 939412580 /nfs/dbraw/zinc/41/25/80/939412580.db2.gz XKZXCLXPSFNBFQ-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001267277391 939412582 /nfs/dbraw/zinc/41/25/82/939412582.db2.gz XKZXCLXPSFNBFQ-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267359708 939434087 /nfs/dbraw/zinc/43/40/87/939434087.db2.gz SNOCIXXSWXGKJX-INIZCTEOSA-N 2 1 316.405 0.437 20 30 DCEDMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267359708 939434089 /nfs/dbraw/zinc/43/40/89/939434089.db2.gz SNOCIXXSWXGKJX-INIZCTEOSA-N 2 1 316.405 0.437 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC#CCOC)CC[N@H+]1C ZINC001481039263 939536456 /nfs/dbraw/zinc/53/64/56/939536456.db2.gz KWZLAIYPFCDOST-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC#CCOC)CC[NH+]1C ZINC001481039263 939536457 /nfs/dbraw/zinc/53/64/57/939536457.db2.gz KWZLAIYPFCDOST-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC#CCOC)CC[NH+]1C ZINC001481039263 939536458 /nfs/dbraw/zinc/53/64/58/939536458.db2.gz KWZLAIYPFCDOST-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267791183 939683700 /nfs/dbraw/zinc/68/37/00/939683700.db2.gz VWTNUJCEISZCQN-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267791183 939683701 /nfs/dbraw/zinc/68/37/01/939683701.db2.gz VWTNUJCEISZCQN-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267791183 939683702 /nfs/dbraw/zinc/68/37/02/939683702.db2.gz VWTNUJCEISZCQN-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267791183 939683703 /nfs/dbraw/zinc/68/37/03/939683703.db2.gz VWTNUJCEISZCQN-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267791183 939683705 /nfs/dbraw/zinc/68/37/05/939683705.db2.gz VWTNUJCEISZCQN-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001481472105 939885041 /nfs/dbraw/zinc/88/50/41/939885041.db2.gz YTMULNSAJFDCGX-INIZCTEOSA-N 2 1 306.454 0.037 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001481472105 939885046 /nfs/dbraw/zinc/88/50/46/939885046.db2.gz YTMULNSAJFDCGX-INIZCTEOSA-N 2 1 306.454 0.037 20 30 DCEDMP COCC#CCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481737656 940100604 /nfs/dbraw/zinc/10/06/04/940100604.db2.gz AMHNZUYWVPUXHJ-ULQDDVLXSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481737656 940100608 /nfs/dbraw/zinc/10/06/08/940100608.db2.gz AMHNZUYWVPUXHJ-ULQDDVLXSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481737656 940100610 /nfs/dbraw/zinc/10/06/10/940100610.db2.gz AMHNZUYWVPUXHJ-ULQDDVLXSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481737656 940100614 /nfs/dbraw/zinc/10/06/14/940100614.db2.gz AMHNZUYWVPUXHJ-ULQDDVLXSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481737656 940100617 /nfs/dbraw/zinc/10/06/17/940100617.db2.gz AMHNZUYWVPUXHJ-ULQDDVLXSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001270249206 940864733 /nfs/dbraw/zinc/86/47/33/940864733.db2.gz POVCXXZSFRJGIP-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001270436684 940900501 /nfs/dbraw/zinc/90/05/01/940900501.db2.gz QUFPJDROAWVNAD-UONOGXRCSA-N 2 1 310.442 0.115 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001271207319 941322225 /nfs/dbraw/zinc/32/22/25/941322225.db2.gz BJLIHQYOQOMZLF-QGZVFWFLSA-N 2 1 307.438 0.601 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001483984652 943071481 /nfs/dbraw/zinc/07/14/81/943071481.db2.gz UJBCVLLBBXHICL-ZMSDIMECSA-N 2 1 321.465 0.634 20 30 DCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001484849847 943595511 /nfs/dbraw/zinc/59/55/11/943595511.db2.gz ZTGZTWSULDZAQR-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068270 943675199 /nfs/dbraw/zinc/67/51/99/943675199.db2.gz BZNFVKCYCSUUII-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068270 943675201 /nfs/dbraw/zinc/67/52/01/943675201.db2.gz BZNFVKCYCSUUII-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491180114 943816723 /nfs/dbraw/zinc/81/67/23/943816723.db2.gz PBVOPDZVMKQDDG-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001485346814 943862438 /nfs/dbraw/zinc/86/24/38/943862438.db2.gz XWNXTWFSZYAWEZ-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP CC[C@@H](C(=O)N[C@H]1C[N@H+](CC#CCOC)CC1(C)C)[NH+](C)C ZINC001485575519 944018510 /nfs/dbraw/zinc/01/85/10/944018510.db2.gz NQAWIQMCNCVTFQ-GJZGRUSLSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@@H](C(=O)N[C@H]1C[N@@H+](CC#CCOC)CC1(C)C)[NH+](C)C ZINC001485575519 944018513 /nfs/dbraw/zinc/01/85/13/944018513.db2.gz NQAWIQMCNCVTFQ-GJZGRUSLSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001485685044 944080186 /nfs/dbraw/zinc/08/01/86/944080186.db2.gz PMUYXTLJNFHIES-KLHDSHLOSA-N 2 1 307.438 0.461 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485802569 944143046 /nfs/dbraw/zinc/14/30/46/944143046.db2.gz AHVSBHLQJVTAAN-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001276606820 944229967 /nfs/dbraw/zinc/22/99/67/944229967.db2.gz AUUKLLDKFHEMTB-INIZCTEOSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001276606820 944229974 /nfs/dbraw/zinc/22/99/74/944229974.db2.gz AUUKLLDKFHEMTB-INIZCTEOSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001276791383 944300527 /nfs/dbraw/zinc/30/05/27/944300527.db2.gz UWMXLBIWPRSRIS-LSDHHAIUSA-N 2 1 304.394 0.420 20 30 DCEDMP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001486034316 944515822 /nfs/dbraw/zinc/51/58/22/944515822.db2.gz PNKDXVCNPVYKBT-HUUCEWRRSA-N 2 1 320.437 0.787 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001486184130 944631273 /nfs/dbraw/zinc/63/12/73/944631273.db2.gz QLHFICVUTAEEGA-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001486184130 944631279 /nfs/dbraw/zinc/63/12/79/944631279.db2.gz QLHFICVUTAEEGA-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001316972950 944699535 /nfs/dbraw/zinc/69/95/35/944699535.db2.gz WMIXREAAEKSLEB-UHFFFAOYSA-N 2 1 308.470 0.475 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001316972950 944699542 /nfs/dbraw/zinc/69/95/42/944699542.db2.gz WMIXREAAEKSLEB-UHFFFAOYSA-N 2 1 308.470 0.475 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001486313252 944773964 /nfs/dbraw/zinc/77/39/64/944773964.db2.gz XYBVCLYUSTYQLH-GDBMZVCRSA-N 2 1 318.421 0.186 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001486353090 944808552 /nfs/dbraw/zinc/80/85/52/944808552.db2.gz UKLSUMPBYXGAAH-INIZCTEOSA-N 2 1 309.454 0.491 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001317143231 944820420 /nfs/dbraw/zinc/82/04/20/944820420.db2.gz LNSTZWKCXKDFPZ-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001317143231 944820425 /nfs/dbraw/zinc/82/04/25/944820425.db2.gz LNSTZWKCXKDFPZ-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001317143231 944820430 /nfs/dbraw/zinc/82/04/30/944820430.db2.gz LNSTZWKCXKDFPZ-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317178317 944838602 /nfs/dbraw/zinc/83/86/02/944838602.db2.gz LGVSPAINVQBXSA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317178317 944838610 /nfs/dbraw/zinc/83/86/10/944838610.db2.gz LGVSPAINVQBXSA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317178317 944838615 /nfs/dbraw/zinc/83/86/15/944838615.db2.gz LGVSPAINVQBXSA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317178317 944838618 /nfs/dbraw/zinc/83/86/18/944838618.db2.gz LGVSPAINVQBXSA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001317198281 944848328 /nfs/dbraw/zinc/84/83/28/944848328.db2.gz FAXKXRCROQWRQR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001317198281 944848335 /nfs/dbraw/zinc/84/83/35/944848335.db2.gz FAXKXRCROQWRQR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317321150 944922390 /nfs/dbraw/zinc/92/23/90/944922390.db2.gz DMYWPLAUPFGBFC-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C[NH+](C)CCN1CC[N@@H+](CCCC#N)C[C@@]2(CCCC(=O)N2)C1 ZINC001277944987 945054211 /nfs/dbraw/zinc/05/42/11/945054211.db2.gz ILMRNYJULRXGPV-KRWDZBQOSA-N 2 1 321.469 0.508 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCO)CC1 ZINC001318957284 945471564 /nfs/dbraw/zinc/47/15/64/945471564.db2.gz YAYFEKBVGVFHMJ-JYJNAYRXSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCO)CC1 ZINC001318957284 945471568 /nfs/dbraw/zinc/47/15/68/945471568.db2.gz YAYFEKBVGVFHMJ-JYJNAYRXSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001278755856 946219497 /nfs/dbraw/zinc/21/94/97/946219497.db2.gz IMGOLDCHHOFVFY-KGLIPLIRSA-N 2 1 306.410 0.439 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001278782560 946385411 /nfs/dbraw/zinc/38/54/11/946385411.db2.gz YWBBDOITECYKJE-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278782560 946385421 /nfs/dbraw/zinc/38/54/21/946385421.db2.gz YWBBDOITECYKJE-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278782560 946385432 /nfs/dbraw/zinc/38/54/32/946385432.db2.gz YWBBDOITECYKJE-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809346 946430249 /nfs/dbraw/zinc/43/02/49/946430249.db2.gz CLYRRMDOUJCHNA-MRXNPFEDSA-N 2 1 306.410 0.746 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809346 946430253 /nfs/dbraw/zinc/43/02/53/946430253.db2.gz CLYRRMDOUJCHNA-MRXNPFEDSA-N 2 1 306.410 0.746 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001278864811 946497625 /nfs/dbraw/zinc/49/76/25/946497625.db2.gz KIAHBWNWMNJCNA-HNNXBMFYSA-N 2 1 314.389 0.641 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC#CCOC ZINC001322169945 946599115 /nfs/dbraw/zinc/59/91/15/946599115.db2.gz VAZNUKFIZUDKQW-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC#CCOC ZINC001322169945 946599127 /nfs/dbraw/zinc/59/91/27/946599127.db2.gz VAZNUKFIZUDKQW-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC#CCOC ZINC001322169945 946599137 /nfs/dbraw/zinc/59/91/37/946599137.db2.gz VAZNUKFIZUDKQW-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC#CCOC ZINC001322169945 946599148 /nfs/dbraw/zinc/59/91/48/946599148.db2.gz VAZNUKFIZUDKQW-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457242 947299366 /nfs/dbraw/zinc/29/93/66/947299366.db2.gz BWDJYSFAEBLQRB-UKRRQHHQSA-N 2 1 307.442 0.292 20 30 DCEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457242 947299374 /nfs/dbraw/zinc/29/93/74/947299374.db2.gz BWDJYSFAEBLQRB-UKRRQHHQSA-N 2 1 307.442 0.292 20 30 DCEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCO)CC1 ZINC001324412745 947419103 /nfs/dbraw/zinc/41/91/03/947419103.db2.gz DNHKWIQMSBXTTI-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001280626744 947490002 /nfs/dbraw/zinc/49/00/02/947490002.db2.gz ADMCVZRPZKTHBK-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273446530 947728342 /nfs/dbraw/zinc/72/83/42/947728342.db2.gz RXNURGRUOOQVAR-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264076526 948864178 /nfs/dbraw/zinc/86/41/78/948864178.db2.gz GLBJRHUKJFXSMI-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001264079987 948872566 /nfs/dbraw/zinc/87/25/66/948872566.db2.gz DCTMMHXPXUTXOI-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001264079987 948872583 /nfs/dbraw/zinc/87/25/83/948872583.db2.gz DCTMMHXPXUTXOI-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001264079987 948872588 /nfs/dbraw/zinc/87/25/88/948872588.db2.gz DCTMMHXPXUTXOI-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264080701 948874207 /nfs/dbraw/zinc/87/42/07/948874207.db2.gz UKMBIAVURWLWMJ-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001264169374 948914577 /nfs/dbraw/zinc/91/45/77/948914577.db2.gz DUPXMKSLXSCNQO-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001264169374 948914591 /nfs/dbraw/zinc/91/45/91/948914591.db2.gz DUPXMKSLXSCNQO-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001264169374 948914611 /nfs/dbraw/zinc/91/46/11/948914611.db2.gz DUPXMKSLXSCNQO-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001264169374 948914622 /nfs/dbraw/zinc/91/46/22/948914622.db2.gz DUPXMKSLXSCNQO-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001488683232 949058558 /nfs/dbraw/zinc/05/85/58/949058558.db2.gz BBOLOJHJVZBMSZ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001488683232 949058577 /nfs/dbraw/zinc/05/85/77/949058577.db2.gz BBOLOJHJVZBMSZ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001488683232 949058597 /nfs/dbraw/zinc/05/85/97/949058597.db2.gz BBOLOJHJVZBMSZ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001488683232 949058614 /nfs/dbraw/zinc/05/86/14/949058614.db2.gz BBOLOJHJVZBMSZ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001264663892 949059215 /nfs/dbraw/zinc/05/92/15/949059215.db2.gz SVTDACMWEBWVMR-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001265947760 950178766 /nfs/dbraw/zinc/17/87/66/950178766.db2.gz XMVMOWHOFZZLAR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265979308 950226844 /nfs/dbraw/zinc/22/68/44/950226844.db2.gz IWTRCNMMDMYBRW-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001490466911 950705782 /nfs/dbraw/zinc/70/57/82/950705782.db2.gz LXFWGPAAEGVGJV-QGZVFWFLSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001331160316 950976697 /nfs/dbraw/zinc/97/66/97/950976697.db2.gz BDPKWMDKJVEIDO-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001331160317 950976780 /nfs/dbraw/zinc/97/67/80/950976780.db2.gz BDPKWMDKJVEIDO-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001281142575 951324927 /nfs/dbraw/zinc/32/49/27/951324927.db2.gz FEGFUXLBIKHMLG-MRXNPFEDSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001281169153 951349733 /nfs/dbraw/zinc/34/97/33/951349733.db2.gz WZNIBFBUBHFVEI-QGZVFWFLSA-N 2 1 318.421 0.583 20 30 DCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274619858 951746327 /nfs/dbraw/zinc/74/63/27/951746327.db2.gz FEMQLDWQPXPCQE-NVXWUHKLSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001332665222 951753151 /nfs/dbraw/zinc/75/31/51/951753151.db2.gz QWADRUVDISULNQ-MRXNPFEDSA-N 2 1 309.454 0.493 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001274663254 951774046 /nfs/dbraw/zinc/77/40/46/951774046.db2.gz SXUSHYQQJAINKN-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001280581563 951806886 /nfs/dbraw/zinc/80/68/86/951806886.db2.gz CLBVGZOIOSORRA-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001275729800 952411194 /nfs/dbraw/zinc/41/11/94/952411194.db2.gz PHYZFTDJMNIHEJ-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCC[NH2+]1 ZINC001342697246 953303176 /nfs/dbraw/zinc/30/31/76/953303176.db2.gz ZKWRYEYFVWCMJV-HLLBOEOZSA-N 2 1 307.438 0.742 20 30 DCEDMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001281965243 953434786 /nfs/dbraw/zinc/43/47/86/953434786.db2.gz PPXSDEXYDNJLRA-HZPDHXFCSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001282859721 953702253 /nfs/dbraw/zinc/70/22/53/953702253.db2.gz CSYZYSKAOSZMOH-PHZGNYQRSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001284518447 955150688 /nfs/dbraw/zinc/15/06/88/955150688.db2.gz CFCOAVYZDOVNBQ-HZPDHXFCSA-N 2 1 309.454 0.491 20 30 DCEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367729200 958456318 /nfs/dbraw/zinc/45/63/18/958456318.db2.gz MDNHOJAZKYVYEY-XJKSGUPXSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367729200 958456327 /nfs/dbraw/zinc/45/63/27/958456327.db2.gz MDNHOJAZKYVYEY-XJKSGUPXSA-N 2 1 316.405 0.483 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2nocc2C)CC1 ZINC001491681116 959043770 /nfs/dbraw/zinc/04/37/70/959043770.db2.gz CGCFHMBFGKUSFX-CQSZACIVSA-N 2 1 318.421 0.923 20 30 DCEDMP C=CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316763688 960318715 /nfs/dbraw/zinc/31/87/15/960318715.db2.gz SIMMZYJUKCBGEY-MRXNPFEDSA-N 2 1 309.454 0.921 20 30 DCEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001382184303 967025208 /nfs/dbraw/zinc/02/52/08/967025208.db2.gz NYIOIDDGJVENNU-MNOVXSKESA-N 2 1 320.231 0.056 20 30 DCEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382184303 967025214 /nfs/dbraw/zinc/02/52/14/967025214.db2.gz NYIOIDDGJVENNU-MNOVXSKESA-N 2 1 320.231 0.056 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001393574859 993096715 /nfs/dbraw/zinc/09/67/15/993096715.db2.gz KCNFCFPQYSJQFS-ZDUSSCGKSA-N 2 1 312.801 0.761 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001502567595 1015974680 /nfs/dbraw/zinc/97/46/80/1015974680.db2.gz HPHPZCKJPGTANH-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001505401222 1016212134 /nfs/dbraw/zinc/21/21/34/1016212134.db2.gz SSVDXOZCJGHYSO-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001505401222 1016212139 /nfs/dbraw/zinc/21/21/39/1016212139.db2.gz SSVDXOZCJGHYSO-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001505401222 1016212147 /nfs/dbraw/zinc/21/21/47/1016212147.db2.gz SSVDXOZCJGHYSO-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001505401222 1016212153 /nfs/dbraw/zinc/21/21/53/1016212153.db2.gz SSVDXOZCJGHYSO-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001505401222 1016212156 /nfs/dbraw/zinc/21/21/56/1016212156.db2.gz SSVDXOZCJGHYSO-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505435618 1016241551 /nfs/dbraw/zinc/24/15/51/1016241551.db2.gz LDDPAHDFIAYPPO-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001507434038 1016325024 /nfs/dbraw/zinc/32/50/24/1016325024.db2.gz PCGRAIPTCIUVGE-OAGGEKHMSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(=C)C ZINC001507484749 1016394700 /nfs/dbraw/zinc/39/47/00/1016394700.db2.gz JVOBNCOQGOUSIO-CVEARBPZSA-N 2 1 307.438 0.459 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(=C)C ZINC001507484749 1016394714 /nfs/dbraw/zinc/39/47/14/1016394714.db2.gz JVOBNCOQGOUSIO-CVEARBPZSA-N 2 1 307.438 0.459 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001506065914 1016972279 /nfs/dbraw/zinc/97/22/79/1016972279.db2.gz YIKRMNCWPPRAFE-ZFWWWQNUSA-N 2 1 322.453 0.032 20 30 DCEDMP COCC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001506869261 1017627988 /nfs/dbraw/zinc/62/79/88/1017627988.db2.gz SJMPEHYSSQRNDP-HDICACEKSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001479919008 1017969552 /nfs/dbraw/zinc/96/95/52/1017969552.db2.gz AVRKUDDJUKLPJE-MRXNPFEDSA-N 2 1 308.470 0.781 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001479931067 1017993257 /nfs/dbraw/zinc/99/32/57/1017993257.db2.gz QNPLONIZIZNATD-KRWDZBQOSA-N 2 1 320.481 0.616 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001479931067 1017993264 /nfs/dbraw/zinc/99/32/64/1017993264.db2.gz QNPLONIZIZNATD-KRWDZBQOSA-N 2 1 320.481 0.616 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001494787501 1018028921 /nfs/dbraw/zinc/02/89/21/1018028921.db2.gz JIDRXLJYVGSGFM-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001494787501 1018028897 /nfs/dbraw/zinc/02/88/97/1018028897.db2.gz JIDRXLJYVGSGFM-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001494787501 1018028907 /nfs/dbraw/zinc/02/89/07/1018028907.db2.gz JIDRXLJYVGSGFM-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001494787501 1018028913 /nfs/dbraw/zinc/02/89/13/1018028913.db2.gz JIDRXLJYVGSGFM-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCOC)CC1 ZINC001500043114 1018186550 /nfs/dbraw/zinc/18/65/50/1018186550.db2.gz IBTNQWPJRXFBKC-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cnn(C)c1 ZINC001495002201 1018228977 /nfs/dbraw/zinc/22/89/77/1018228977.db2.gz IKXBFALSKUWUEH-HOTGVXAUSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cnn(C)c1 ZINC001495002201 1018228990 /nfs/dbraw/zinc/22/89/90/1018228990.db2.gz IKXBFALSKUWUEH-HOTGVXAUSA-N 2 1 317.437 0.502 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480168158 1018276952 /nfs/dbraw/zinc/27/69/52/1018276952.db2.gz YADJUPOYTRPPDA-LXTVHRRPSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCOCC)C1 ZINC001480255304 1018374644 /nfs/dbraw/zinc/37/46/44/1018374644.db2.gz UINKVVWXGMWIBZ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCOCC)C1 ZINC001480255304 1018374657 /nfs/dbraw/zinc/37/46/57/1018374657.db2.gz UINKVVWXGMWIBZ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCOCC)C1 ZINC001480255304 1018374669 /nfs/dbraw/zinc/37/46/69/1018374669.db2.gz UINKVVWXGMWIBZ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCOCC)C1 ZINC001480255304 1018374677 /nfs/dbraw/zinc/37/46/77/1018374677.db2.gz UINKVVWXGMWIBZ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001480709922 1018792985 /nfs/dbraw/zinc/79/29/85/1018792985.db2.gz TZCAVTVTADHORM-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498312335 1018938559 /nfs/dbraw/zinc/93/85/59/1018938559.db2.gz JFSYPAGMSIHYAQ-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498312335 1018938570 /nfs/dbraw/zinc/93/85/70/1018938570.db2.gz JFSYPAGMSIHYAQ-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001501307600 1019029831 /nfs/dbraw/zinc/02/98/31/1019029831.db2.gz KXLZTSDJMSMSLN-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001501307600 1019029844 /nfs/dbraw/zinc/02/98/44/1019029844.db2.gz KXLZTSDJMSMSLN-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001501307600 1019029861 /nfs/dbraw/zinc/02/98/61/1019029861.db2.gz KXLZTSDJMSMSLN-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001501307600 1019029878 /nfs/dbraw/zinc/02/98/78/1019029878.db2.gz KXLZTSDJMSMSLN-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001501353581 1019082677 /nfs/dbraw/zinc/08/26/77/1019082677.db2.gz FIULRSOTKFWCEY-GOSISDBHSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001501353581 1019082692 /nfs/dbraw/zinc/08/26/92/1019082692.db2.gz FIULRSOTKFWCEY-GOSISDBHSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CC ZINC001498897340 1019510566 /nfs/dbraw/zinc/51/05/66/1019510566.db2.gz CFPSUYLYRVJHKJ-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001661881497 1174166368 /nfs/dbraw/zinc/16/63/68/1174166368.db2.gz ZJERKKJXZLLMLO-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001661881497 1174166372 /nfs/dbraw/zinc/16/63/72/1174166372.db2.gz ZJERKKJXZLLMLO-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP CCn1cnnc1CNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261995397 238169787 /nfs/dbraw/zinc/16/97/87/238169787.db2.gz SGILYVPRYOTNQX-WCQYABFASA-N 2 1 305.430 0.446 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)c1ccc(F)cc1 ZINC000264127154 238191257 /nfs/dbraw/zinc/19/12/57/238191257.db2.gz WSXKEQNWGNGIEL-OAHLLOKOSA-N 2 1 324.400 0.486 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000069501026 396081480 /nfs/dbraw/zinc/08/14/80/396081480.db2.gz IZNOEOGYQQBTAC-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000602538246 397433774 /nfs/dbraw/zinc/43/37/74/397433774.db2.gz BMPRXVBPNCUFQU-OAHLLOKOSA-N 2 1 322.453 0.839 20 30 DCEDMP CC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000329859271 416192028 /nfs/dbraw/zinc/19/20/28/416192028.db2.gz WORDUBWUBFRBGP-CQSZACIVSA-N 2 1 312.458 0.943 20 30 DCEDMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329310915 416163048 /nfs/dbraw/zinc/16/30/48/416163048.db2.gz QZGFSUDYJOAWOB-AWEZNQCLSA-N 2 1 324.469 0.939 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](CC)CCO)CC1 ZINC000187259477 416260925 /nfs/dbraw/zinc/26/09/25/416260925.db2.gz FWVUOBQZKYZIBR-UHFFFAOYSA-N 2 1 312.458 0.640 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000420314265 416418535 /nfs/dbraw/zinc/41/85/35/416418535.db2.gz QLALPHZFGPPWAN-ZIAGYGMSSA-N 2 1 308.426 0.093 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000420314265 416418536 /nfs/dbraw/zinc/41/85/36/416418536.db2.gz QLALPHZFGPPWAN-ZIAGYGMSSA-N 2 1 308.426 0.093 20 30 DCEDMP C#CCN1CCN(C(=O)CN2[C@H](C)C[N@@H+](CC)C[C@@H]2C)CC1 ZINC000491296814 416595065 /nfs/dbraw/zinc/59/50/65/416595065.db2.gz NHHSZFCFUPLJEU-IYBDPMFKSA-N 2 1 306.454 0.178 20 30 DCEDMP CCOCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1CC ZINC000424142112 416616350 /nfs/dbraw/zinc/61/63/50/416616350.db2.gz HXDXLGXPIUUDDS-CABCVRRESA-N 2 1 310.442 0.967 20 30 DCEDMP CC[NH+]=C(NCC(F)F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261681753 275801733 /nfs/dbraw/zinc/80/17/33/275801733.db2.gz HROZZPWPVBBTSO-GFCCVEGCSA-N 2 1 304.385 0.871 20 30 DCEDMP CC[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCC(O)CC1 ZINC000262747682 276095910 /nfs/dbraw/zinc/09/59/10/276095910.db2.gz AVXOYQCHRWUVPB-HNNXBMFYSA-N 2 1 314.499 0.846 20 30 DCEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000329793140 336082212 /nfs/dbraw/zinc/08/22/12/336082212.db2.gz AUKLVDQGFZQDDI-HUUCEWRRSA-N 2 1 323.485 0.610 20 30 DCEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)CN1CC[NH+](C)CC1 ZINC000329793140 336082214 /nfs/dbraw/zinc/08/22/14/336082214.db2.gz AUKLVDQGFZQDDI-HUUCEWRRSA-N 2 1 323.485 0.610 20 30 DCEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)CN1CC[NH+](C)CC1 ZINC000329793140 336082216 /nfs/dbraw/zinc/08/22/16/336082216.db2.gz AUKLVDQGFZQDDI-HUUCEWRRSA-N 2 1 323.485 0.610 20 30 DCEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261745852 526354972 /nfs/dbraw/zinc/35/49/72/526354972.db2.gz LGZATRXPAUCDFC-OAHLLOKOSA-N 2 1 320.441 0.463 20 30 DCEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261745852 526354977 /nfs/dbraw/zinc/35/49/77/526354977.db2.gz LGZATRXPAUCDFC-OAHLLOKOSA-N 2 1 320.441 0.463 20 30 DCEDMP C[NH+]=C(NCCN1CCOC[C@@H]1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261990758 526359333 /nfs/dbraw/zinc/35/93/33/526359333.db2.gz REMQNBALUBSKNL-IJEWVQPXSA-N 2 1 323.485 0.355 20 30 DCEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262822665 526378185 /nfs/dbraw/zinc/37/81/85/526378185.db2.gz XMIBOIMDJBPCJB-WBMJQRKESA-N 2 1 306.410 0.889 20 30 DCEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262822665 526378187 /nfs/dbraw/zinc/37/81/87/526378187.db2.gz XMIBOIMDJBPCJB-WBMJQRKESA-N 2 1 306.410 0.889 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158433645 526382379 /nfs/dbraw/zinc/38/23/79/526382379.db2.gz HYIAPVUZMWSTGM-YPMHNXCESA-N 2 1 321.425 0.772 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261946120 528809400 /nfs/dbraw/zinc/80/94/00/528809400.db2.gz FZZFDYSISTUKRW-IJEWVQPXSA-N 3 1 307.486 0.976 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261946120 528809402 /nfs/dbraw/zinc/80/94/02/528809402.db2.gz FZZFDYSISTUKRW-IJEWVQPXSA-N 3 1 307.486 0.976 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261946120 528809406 /nfs/dbraw/zinc/80/94/06/528809406.db2.gz FZZFDYSISTUKRW-IJEWVQPXSA-N 3 1 307.486 0.976 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261946120 528809411 /nfs/dbraw/zinc/80/94/11/528809411.db2.gz FZZFDYSISTUKRW-IJEWVQPXSA-N 2 1 307.486 0.976 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261946120 528809414 /nfs/dbraw/zinc/80/94/14/528809414.db2.gz FZZFDYSISTUKRW-IJEWVQPXSA-N 2 1 307.486 0.976 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000269073573 529073348 /nfs/dbraw/zinc/07/33/48/529073348.db2.gz HDCNHYDXYBJUTH-LLVKDONJSA-N 2 1 309.374 0.180 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978180709 660492838 /nfs/dbraw/zinc/49/28/38/660492838.db2.gz OBZCIZNKXSLGQY-QKDCVEJESA-N 2 1 317.437 0.538 20 30 DCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978248246 660506281 /nfs/dbraw/zinc/50/62/81/660506281.db2.gz KGMQPFIDJBEZHZ-VQHPVUNQSA-N 2 1 303.450 0.892 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978248246 660506284 /nfs/dbraw/zinc/50/62/84/660506284.db2.gz KGMQPFIDJBEZHZ-VQHPVUNQSA-N 2 1 303.450 0.892 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978248246 660506285 /nfs/dbraw/zinc/50/62/85/660506285.db2.gz KGMQPFIDJBEZHZ-VQHPVUNQSA-N 2 1 303.450 0.892 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001027686837 660620409 /nfs/dbraw/zinc/62/04/09/660620409.db2.gz XWBFFYDNAWGFNB-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981209157 661103430 /nfs/dbraw/zinc/10/34/30/661103430.db2.gz FQLSJMFIVBWQBB-HOTGVXAUSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209154 661103598 /nfs/dbraw/zinc/10/35/98/661103598.db2.gz FQLSJMFIVBWQBB-CVEARBPZSA-N 2 1 305.422 0.407 20 30 DCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327603 661133315 /nfs/dbraw/zinc/13/33/15/661133315.db2.gz UGOSTDOTWJKVEX-INIZCTEOSA-N 2 1 319.453 0.924 20 30 DCEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327603 661133316 /nfs/dbraw/zinc/13/33/16/661133316.db2.gz UGOSTDOTWJKVEX-INIZCTEOSA-N 2 1 319.453 0.924 20 30 DCEDMP CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000972295194 658532765 /nfs/dbraw/zinc/53/27/65/658532765.db2.gz ROLJHNMRZNUSQC-NVXWUHKLSA-N 2 1 305.422 0.407 20 30 DCEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972314345 658554275 /nfs/dbraw/zinc/55/42/75/658554275.db2.gz CNQMLFZKVJOMGI-NVXWUHKLSA-N 2 1 323.437 0.196 20 30 DCEDMP C=CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972314345 658554279 /nfs/dbraw/zinc/55/42/79/658554279.db2.gz CNQMLFZKVJOMGI-NVXWUHKLSA-N 2 1 323.437 0.196 20 30 DCEDMP C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000972392013 658707049 /nfs/dbraw/zinc/70/70/49/658707049.db2.gz GKSAWRLLGMDOGA-LZLYRXPVSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]12 ZINC001026378463 659260664 /nfs/dbraw/zinc/26/06/64/659260664.db2.gz XOPBIYNRYQNTRB-BZUAXINKSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001026893795 659626276 /nfs/dbraw/zinc/62/62/76/659626276.db2.gz NSCDEEINIAAMSN-HIFRSBDPSA-N 2 1 317.393 0.105 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001026893795 659626278 /nfs/dbraw/zinc/62/62/78/659626278.db2.gz NSCDEEINIAAMSN-HIFRSBDPSA-N 2 1 317.393 0.105 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](C)O)CC1 ZINC001028333341 661462771 /nfs/dbraw/zinc/46/27/71/661462771.db2.gz IDMHBQLEYZVASH-GDBMZVCRSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758247 661808745 /nfs/dbraw/zinc/80/87/45/661808745.db2.gz PLSHYZIGYUQFOI-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028758247 661808747 /nfs/dbraw/zinc/80/87/47/661808747.db2.gz PLSHYZIGYUQFOI-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001028804511 661832451 /nfs/dbraw/zinc/83/24/51/661832451.db2.gz AGRQRWMXLCPDTN-AWEZNQCLSA-N 2 1 316.405 0.955 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001028804511 661832453 /nfs/dbraw/zinc/83/24/53/661832453.db2.gz AGRQRWMXLCPDTN-AWEZNQCLSA-N 2 1 316.405 0.955 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC000983902687 662073324 /nfs/dbraw/zinc/07/33/24/662073324.db2.gz YHRQYUPAGGMMHI-VQHPVUNQSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC000983902687 662073326 /nfs/dbraw/zinc/07/33/26/662073326.db2.gz YHRQYUPAGGMMHI-VQHPVUNQSA-N 2 1 319.449 0.605 20 30 DCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NCC1(C(=O)N(C)C)CCCC1 ZINC000262575604 662491604 /nfs/dbraw/zinc/49/16/04/662491604.db2.gz ZZAWIZWCGRWVNH-CQSZACIVSA-N 2 1 323.485 0.752 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000925317592 662918443 /nfs/dbraw/zinc/91/84/43/662918443.db2.gz REWCVUHQXJDPTI-CABCVRRESA-N 2 1 318.421 0.490 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000925317592 662918444 /nfs/dbraw/zinc/91/84/44/662918444.db2.gz REWCVUHQXJDPTI-CABCVRRESA-N 2 1 318.421 0.490 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000910403620 663877803 /nfs/dbraw/zinc/87/78/03/663877803.db2.gz SJPDGPMJBIOGEL-UHFFFAOYSA-N 2 1 313.442 0.300 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000917829102 665146989 /nfs/dbraw/zinc/14/69/89/665146989.db2.gz MNOGRFPJJYUMIZ-MRXNPFEDSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727644 665349282 /nfs/dbraw/zinc/34/92/82/665349282.db2.gz NNUWDJWKCRGFDQ-INIZCTEOSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727644 665349284 /nfs/dbraw/zinc/34/92/84/665349284.db2.gz NNUWDJWKCRGFDQ-INIZCTEOSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997869531 665356024 /nfs/dbraw/zinc/35/60/24/665356024.db2.gz FOJWBJPLTQPJTF-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997869531 665356025 /nfs/dbraw/zinc/35/60/25/665356025.db2.gz FOJWBJPLTQPJTF-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000941436877 665998096 /nfs/dbraw/zinc/99/80/96/665998096.db2.gz JVGHUDBVUFLFQY-UHFFFAOYSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941437138 665998637 /nfs/dbraw/zinc/99/86/37/665998637.db2.gz SWTTYDATGRYBLF-QGZVFWFLSA-N 2 1 318.465 0.178 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941459844 666000485 /nfs/dbraw/zinc/00/04/85/666000485.db2.gz HFKZFBLOSVVZLB-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941459844 666000487 /nfs/dbraw/zinc/00/04/87/666000487.db2.gz HFKZFBLOSVVZLB-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941567534 666020557 /nfs/dbraw/zinc/02/05/57/666020557.db2.gz VXYXFRBVDUGMDT-NVXWUHKLSA-N 2 1 320.481 0.589 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567534 666020559 /nfs/dbraw/zinc/02/05/59/666020559.db2.gz VXYXFRBVDUGMDT-NVXWUHKLSA-N 2 1 320.481 0.589 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941595514 666024790 /nfs/dbraw/zinc/02/47/90/666024790.db2.gz KXISIAXKKIFJID-UHFFFAOYSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001691776464 1157586356 /nfs/dbraw/zinc/58/63/56/1157586356.db2.gz FCLPJYZVNDDORX-ARFHVFGLSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001426874 666050920 /nfs/dbraw/zinc/05/09/20/666050920.db2.gz XVMKYRPFWNMAGZ-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001001462215 666054741 /nfs/dbraw/zinc/05/47/41/666054741.db2.gz NTHXTXRBYWDTIC-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001462215 666054744 /nfs/dbraw/zinc/05/47/44/666054744.db2.gz NTHXTXRBYWDTIC-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001462215 666054747 /nfs/dbraw/zinc/05/47/47/666054747.db2.gz NTHXTXRBYWDTIC-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001462215 666054749 /nfs/dbraw/zinc/05/47/49/666054749.db2.gz NTHXTXRBYWDTIC-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](CC)OC)C1 ZINC001032837155 666288889 /nfs/dbraw/zinc/28/88/89/666288889.db2.gz RMBXCZHMNZKPSD-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003332777 666296129 /nfs/dbraw/zinc/29/61/29/666296129.db2.gz NCEHWZIYTYHMDI-HQVVEAJESA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)C[C@H]2C)CC1 ZINC000945185363 666578434 /nfs/dbraw/zinc/57/84/34/666578434.db2.gz ZXAYZSDQFWSAOG-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034208722 666955266 /nfs/dbraw/zinc/95/52/66/666955266.db2.gz DVVKRRNWUAOIOW-OAHLLOKOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035477588 667353152 /nfs/dbraw/zinc/35/31/52/667353152.db2.gz IIBDCYGUNYMRLY-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001035477588 667353155 /nfs/dbraw/zinc/35/31/55/667353155.db2.gz IIBDCYGUNYMRLY-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035477588 667353156 /nfs/dbraw/zinc/35/31/56/667353156.db2.gz IIBDCYGUNYMRLY-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035477588 667353159 /nfs/dbraw/zinc/35/31/59/667353159.db2.gz IIBDCYGUNYMRLY-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001035562003 667378903 /nfs/dbraw/zinc/37/89/03/667378903.db2.gz IOIZQKBAJTUNGK-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001035562003 667378904 /nfs/dbraw/zinc/37/89/04/667378904.db2.gz IOIZQKBAJTUNGK-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579652 667383828 /nfs/dbraw/zinc/38/38/28/667383828.db2.gz LDIAQCHTALOTDY-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035680320 667398348 /nfs/dbraw/zinc/39/83/48/667398348.db2.gz PKZLJMBBXGQPKE-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035680320 667398349 /nfs/dbraw/zinc/39/83/49/667398349.db2.gz PKZLJMBBXGQPKE-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC001035713225 667403295 /nfs/dbraw/zinc/40/32/95/667403295.db2.gz OYUADGOAHHMBJN-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884197730 667495673 /nfs/dbraw/zinc/49/56/73/667495673.db2.gz CRELHUYXIZJVMJ-HUUCEWRRSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884197730 667495676 /nfs/dbraw/zinc/49/56/76/667495676.db2.gz CRELHUYXIZJVMJ-HUUCEWRRSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884197730 667495679 /nfs/dbraw/zinc/49/56/79/667495679.db2.gz CRELHUYXIZJVMJ-HUUCEWRRSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000884197730 667495682 /nfs/dbraw/zinc/49/56/82/667495682.db2.gz CRELHUYXIZJVMJ-HUUCEWRRSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000884197730 667495685 /nfs/dbraw/zinc/49/56/85/667495685.db2.gz CRELHUYXIZJVMJ-HUUCEWRRSA-N 2 1 304.438 0.868 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884249546 667508959 /nfs/dbraw/zinc/50/89/59/667508959.db2.gz NKTVVRXQHUFISC-JFUSQASVSA-N 2 1 312.295 0.933 20 30 DCEDMP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000886353193 667759067 /nfs/dbraw/zinc/75/90/67/667759067.db2.gz DFAKUXFOKMPBQU-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000886353193 667759068 /nfs/dbraw/zinc/75/90/68/667759068.db2.gz DFAKUXFOKMPBQU-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000886353193 667759070 /nfs/dbraw/zinc/75/90/70/667759070.db2.gz DFAKUXFOKMPBQU-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCC1(O)CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000886755239 667798104 /nfs/dbraw/zinc/79/81/04/667798104.db2.gz CGKZJFGXAVDHSE-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP N#CCCNC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745948097 667859366 /nfs/dbraw/zinc/85/93/66/667859366.db2.gz BEXUUBRVPZFWOW-UHFFFAOYSA-N 2 1 308.426 0.593 20 30 DCEDMP C[N@H+]1CCCN(CCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000104175059 667964044 /nfs/dbraw/zinc/96/40/44/667964044.db2.gz AYSGYJAAJZIHEW-UHFFFAOYSA-N 2 1 303.454 0.771 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000764667471 668457683 /nfs/dbraw/zinc/45/76/83/668457683.db2.gz RPJBIQDBRBWUOY-QGZVFWFLSA-N 2 1 317.433 0.987 20 30 DCEDMP COCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876746172 668500937 /nfs/dbraw/zinc/50/09/37/668500937.db2.gz UWQDDXLLVKQKFM-MRXNPFEDSA-N 2 1 316.405 0.439 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000876782968 668510341 /nfs/dbraw/zinc/51/03/41/668510341.db2.gz XBYCSKJUBJOBNJ-YPMHNXCESA-N 2 1 302.850 0.456 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000876913303 668534861 /nfs/dbraw/zinc/53/48/61/668534861.db2.gz CPZHYAKAZCAABN-JXQTWKCFSA-N 2 1 314.861 0.789 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1=O ZINC000879596218 669070335 /nfs/dbraw/zinc/07/03/35/669070335.db2.gz JFAWWNZDEFNTSL-INIZCTEOSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000949048643 669943828 /nfs/dbraw/zinc/94/38/28/669943828.db2.gz ZGWJEHCJMPHZAT-HNNXBMFYSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000947795416 670012853 /nfs/dbraw/zinc/01/28/53/670012853.db2.gz CJDSAACFEOMMTM-ZBFHGGJFSA-N 2 1 317.437 0.661 20 30 DCEDMP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898147 671189853 /nfs/dbraw/zinc/18/98/53/671189853.db2.gz WIKMJEBEMYQFPQ-KFWWJZLASA-N 2 1 307.438 0.603 20 30 DCEDMP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898147 671189856 /nfs/dbraw/zinc/18/98/56/671189856.db2.gz WIKMJEBEMYQFPQ-KFWWJZLASA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+](C)CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867310794 672046303 /nfs/dbraw/zinc/04/63/03/672046303.db2.gz DQPJKFWZUNVPIY-UHFFFAOYSA-N 2 1 301.456 0.347 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1CNC(NCCN1CCOCC1)=[NH+]C ZINC000304669181 685211125 /nfs/dbraw/zinc/21/11/25/685211125.db2.gz BRZCDQOVDYLFPO-OAHLLOKOSA-N 2 1 311.474 0.358 20 30 DCEDMP CO[C@@]1(C)C[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C1(C)C ZINC000304774488 685211812 /nfs/dbraw/zinc/21/18/12/685211812.db2.gz BXRBAPXAPMELHU-BBRMVZONSA-N 2 1 312.458 0.817 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC[C@@H]1CCOC1 ZINC000304761835 685212172 /nfs/dbraw/zinc/21/21/72/685212172.db2.gz UYSGLZSNGIUSKL-LSDHHAIUSA-N 2 1 312.458 0.818 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@H](CC)OC)CC2)CC1 ZINC000957776545 687181021 /nfs/dbraw/zinc/18/10/21/687181021.db2.gz MELBSZRECGDBCT-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958375386 687598746 /nfs/dbraw/zinc/59/87/46/687598746.db2.gz SXQIERCDYAELKH-ZIAGYGMSSA-N 2 1 315.845 0.490 20 30 DCEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958375386 687598751 /nfs/dbraw/zinc/59/87/51/687598751.db2.gz SXQIERCDYAELKH-ZIAGYGMSSA-N 2 1 315.845 0.490 20 30 DCEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966170859 689665586 /nfs/dbraw/zinc/66/55/86/689665586.db2.gz YNQRVUBECFFYEI-HOCLYGCPSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966170859 689665590 /nfs/dbraw/zinc/66/55/90/689665590.db2.gz YNQRVUBECFFYEI-HOCLYGCPSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2conc2C)C1 ZINC000968954791 690434429 /nfs/dbraw/zinc/43/44/29/690434429.db2.gz RBNQRHMCQMYVNJ-CVEARBPZSA-N 2 1 316.405 0.771 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2conc2C)C1 ZINC000968954791 690434432 /nfs/dbraw/zinc/43/44/32/690434432.db2.gz RBNQRHMCQMYVNJ-CVEARBPZSA-N 2 1 316.405 0.771 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001425323 690544701 /nfs/dbraw/zinc/54/47/01/690544701.db2.gz NQDVGDCZAMZTQG-HZPDHXFCSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360090 690668737 /nfs/dbraw/zinc/66/87/37/690668737.db2.gz KIUDCVGCBDYVRX-OAHLLOKOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990604 690783743 /nfs/dbraw/zinc/78/37/43/690783743.db2.gz OTERQRFYVKJACT-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990604 690783748 /nfs/dbraw/zinc/78/37/48/690783748.db2.gz OTERQRFYVKJACT-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007990604 690783757 /nfs/dbraw/zinc/78/37/57/690783757.db2.gz OTERQRFYVKJACT-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007990604 690783762 /nfs/dbraw/zinc/78/37/62/690783762.db2.gz OTERQRFYVKJACT-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014476202 692028148 /nfs/dbraw/zinc/02/81/48/692028148.db2.gz ZGPYBGSYWNISPZ-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014709170 692077995 /nfs/dbraw/zinc/07/79/95/692077995.db2.gz AVTZBOTXLXGXKR-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014709170 692077999 /nfs/dbraw/zinc/07/79/99/692077999.db2.gz AVTZBOTXLXGXKR-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014709170 692078003 /nfs/dbraw/zinc/07/80/03/692078003.db2.gz AVTZBOTXLXGXKR-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001017569500 692940538 /nfs/dbraw/zinc/94/05/38/692940538.db2.gz NBEIMVFFALZPJB-TWMKSMIVSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001017569500 692940542 /nfs/dbraw/zinc/94/05/42/692940542.db2.gz NBEIMVFFALZPJB-TWMKSMIVSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569500 692940544 /nfs/dbraw/zinc/94/05/44/692940544.db2.gz NBEIMVFFALZPJB-TWMKSMIVSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569500 692940548 /nfs/dbraw/zinc/94/05/48/692940548.db2.gz NBEIMVFFALZPJB-TWMKSMIVSA-N 2 1 317.433 0.548 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001020028526 693654172 /nfs/dbraw/zinc/65/41/72/693654172.db2.gz BPHLZGKCHJWRRH-TUVASFSCSA-N 2 1 320.437 0.104 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073443114 694727726 /nfs/dbraw/zinc/72/77/26/694727726.db2.gz BKERCUUWLHVMAU-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073443114 694727728 /nfs/dbraw/zinc/72/77/28/694727728.db2.gz BKERCUUWLHVMAU-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443114 694727731 /nfs/dbraw/zinc/72/77/31/694727731.db2.gz BKERCUUWLHVMAU-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443114 694727732 /nfs/dbraw/zinc/72/77/32/694727732.db2.gz BKERCUUWLHVMAU-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001073639359 694757799 /nfs/dbraw/zinc/75/77/99/694757799.db2.gz GVOTZQOUHKQHFX-IRXDYDNUSA-N 2 1 317.433 0.314 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001073639359 694757800 /nfs/dbraw/zinc/75/78/00/694757800.db2.gz GVOTZQOUHKQHFX-IRXDYDNUSA-N 2 1 317.433 0.314 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001073639359 694757801 /nfs/dbraw/zinc/75/78/01/694757801.db2.gz GVOTZQOUHKQHFX-IRXDYDNUSA-N 2 1 317.433 0.314 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001073639359 694757803 /nfs/dbraw/zinc/75/78/03/694757803.db2.gz GVOTZQOUHKQHFX-IRXDYDNUSA-N 2 1 317.433 0.314 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174472 695003399 /nfs/dbraw/zinc/00/33/99/695003399.db2.gz MRGMBOQSFXKLBV-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174472 695003400 /nfs/dbraw/zinc/00/34/00/695003400.db2.gz MRGMBOQSFXKLBV-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174472 695003401 /nfs/dbraw/zinc/00/34/01/695003401.db2.gz MRGMBOQSFXKLBV-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174472 695003402 /nfs/dbraw/zinc/00/34/02/695003402.db2.gz MRGMBOQSFXKLBV-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407734 695020199 /nfs/dbraw/zinc/02/01/99/695020199.db2.gz UFNXRNIVPUKETL-DOTOQJQBSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)[C@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001570752275 1162612243 /nfs/dbraw/zinc/61/22/43/1162612243.db2.gz WDDFXZBLKHBDOU-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccsc1 ZINC001571431490 1162749919 /nfs/dbraw/zinc/74/99/19/1162749919.db2.gz VYSXAFAPRSAEQH-GJZGRUSLSA-N 2 1 321.446 0.412 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccsc1 ZINC001571431490 1162749922 /nfs/dbraw/zinc/74/99/22/1162749922.db2.gz VYSXAFAPRSAEQH-GJZGRUSLSA-N 2 1 321.446 0.412 20 30 DCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001571438772 1162755693 /nfs/dbraw/zinc/75/56/93/1162755693.db2.gz SYQZNWQBFAPLMG-ZIAGYGMSSA-N 2 1 306.410 0.397 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001571587837 1162832030 /nfs/dbraw/zinc/83/20/30/1162832030.db2.gz QVXMGSQDXOOSOO-JKSUJKDBSA-N 2 1 309.454 0.541 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001691268147 1157624923 /nfs/dbraw/zinc/62/49/23/1157624923.db2.gz CJPRJKPIVMBXMZ-JKSUJKDBSA-N 2 1 318.421 0.716 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001692038729 1157629772 /nfs/dbraw/zinc/62/97/72/1157629772.db2.gz ADBKQXOBSKLLLB-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001752121353 1157837150 /nfs/dbraw/zinc/83/71/50/1157837150.db2.gz IFOKSXLDYWCVKG-HNNXBMFYSA-N 2 1 322.453 0.034 20 30 DCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175729617 1158848271 /nfs/dbraw/zinc/84/82/71/1158848271.db2.gz KHRUEHZBHTXTJA-MRXNPFEDSA-N 2 1 309.454 0.997 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001566603206 1160089621 /nfs/dbraw/zinc/08/96/21/1160089621.db2.gz ZMYYBQLHVVWTJT-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001566649718 1160111252 /nfs/dbraw/zinc/11/12/52/1160111252.db2.gz FZOTWHXYZGRFTC-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567203468 1160273194 /nfs/dbraw/zinc/27/31/94/1160273194.db2.gz SOOJKENNJVEMEB-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567203468 1160273199 /nfs/dbraw/zinc/27/31/99/1160273199.db2.gz SOOJKENNJVEMEB-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567203468 1160273202 /nfs/dbraw/zinc/27/32/02/1160273202.db2.gz SOOJKENNJVEMEB-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001567203468 1160273208 /nfs/dbraw/zinc/27/32/08/1160273208.db2.gz SOOJKENNJVEMEB-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001567237873 1160280722 /nfs/dbraw/zinc/28/07/22/1160280722.db2.gz GYTKIPMYWGCSHM-RDJZCZTQSA-N 2 1 307.438 0.607 20 30 DCEDMP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001567477452 1160385033 /nfs/dbraw/zinc/38/50/33/1160385033.db2.gz KLYFSELAFRVQQE-AWEZNQCLSA-N 2 1 322.434 0.498 20 30 DCEDMP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001567477452 1160385038 /nfs/dbraw/zinc/38/50/38/1160385038.db2.gz KLYFSELAFRVQQE-AWEZNQCLSA-N 2 1 322.434 0.498 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567765176 1160473355 /nfs/dbraw/zinc/47/33/55/1160473355.db2.gz IPONMDGVYTUNFA-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567765176 1160473359 /nfs/dbraw/zinc/47/33/59/1160473359.db2.gz IPONMDGVYTUNFA-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP CC[C@@H](C(=O)N1CCC2(C[NH+](CC#CCOC)C2)CC1)[NH+](C)C ZINC001568252887 1160612971 /nfs/dbraw/zinc/61/29/71/1160612971.db2.gz SIZYLQIQYZSLJX-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nccn1C ZINC001568642701 1160719989 /nfs/dbraw/zinc/71/99/89/1160719989.db2.gz RUMPZDODKRBWRC-GJZGRUSLSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nccn1C ZINC001568642701 1160719993 /nfs/dbraw/zinc/71/99/93/1160719993.db2.gz RUMPZDODKRBWRC-GJZGRUSLSA-N 2 1 317.437 0.502 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001569136590 1160955945 /nfs/dbraw/zinc/95/59/45/1160955945.db2.gz VLHFWZRGAKPSBR-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001569247760 1160992946 /nfs/dbraw/zinc/99/29/46/1160992946.db2.gz AUWPLDIXRPLSES-UHFFFAOYSA-N 2 1 303.834 0.899 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001569307079 1161006946 /nfs/dbraw/zinc/00/69/46/1161006946.db2.gz AZHOKXVMMXXECU-HZPDHXFCSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001569546172 1161093483 /nfs/dbraw/zinc/09/34/83/1161093483.db2.gz GHRPOQSFIPJKSZ-ZDUSSCGKSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC(N)=O)CC1 ZINC001569595421 1161161512 /nfs/dbraw/zinc/16/15/12/1161161512.db2.gz OUIBXBRONPRCLG-UHFFFAOYSA-N 2 1 322.453 0.130 20 30 DCEDMP C=CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001569884631 1161294507 /nfs/dbraw/zinc/29/45/07/1161294507.db2.gz WIUTYOOPFHILSW-INIZCTEOSA-N 2 1 324.469 0.063 20 30 DCEDMP C=CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001569884631 1161294510 /nfs/dbraw/zinc/29/45/10/1161294510.db2.gz WIUTYOOPFHILSW-INIZCTEOSA-N 2 1 324.469 0.063 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569893389 1161300092 /nfs/dbraw/zinc/30/00/92/1161300092.db2.gz FHTRQRBUSGSNFH-SJLPKXTDSA-N 2 1 319.449 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569893389 1161300096 /nfs/dbraw/zinc/30/00/96/1161300096.db2.gz FHTRQRBUSGSNFH-SJLPKXTDSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001570285834 1161542638 /nfs/dbraw/zinc/54/26/38/1161542638.db2.gz OFMRSYNDGQRKDY-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC001580043151 1165483138 /nfs/dbraw/zinc/48/31/38/1165483138.db2.gz JEPDXXWBAKTTSO-VXSWHIBVSA-N 2 1 302.422 0.869 20 30 DCEDMP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(O)(C[NH3+])CC3)C2=O)cc1 ZINC001580067512 1165491087 /nfs/dbraw/zinc/49/10/87/1165491087.db2.gz VTKHRJSZUGQWHE-OAHLLOKOSA-N 2 1 314.389 0.449 20 30 DCEDMP N#Cc1ccncc1N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001580081155 1165494733 /nfs/dbraw/zinc/49/47/33/1165494733.db2.gz VHUWQPQTUJTTCS-OAHLLOKOSA-N 2 1 313.405 0.596 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001583797373 1166286176 /nfs/dbraw/zinc/28/61/76/1166286176.db2.gz KNLCVIKRVIDECT-KFWWJZLASA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001583797373 1166286182 /nfs/dbraw/zinc/28/61/82/1166286182.db2.gz KNLCVIKRVIDECT-KFWWJZLASA-N 2 1 322.453 0.045 20 30 DCEDMP C[C@H](CNC(=O)NCC#CC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001636495580 1171740335 /nfs/dbraw/zinc/74/03/35/1171740335.db2.gz NZSLOMHSCHHBTP-KFWWJZLASA-N 2 1 310.442 0.348 20 30 DCEDMP C[C@H](CNC(=O)NCC#CC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001636495580 1171740338 /nfs/dbraw/zinc/74/03/38/1171740338.db2.gz NZSLOMHSCHHBTP-KFWWJZLASA-N 2 1 310.442 0.348 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001660930961 1174072009 /nfs/dbraw/zinc/07/20/09/1174072009.db2.gz WTSYGFURHWPNKX-IAGOWNOFSA-N 2 1 320.481 0.923 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001661317884 1174116100 /nfs/dbraw/zinc/11/61/00/1174116100.db2.gz HKQVTLKUONDLEZ-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001661317884 1174116104 /nfs/dbraw/zinc/11/61/04/1174116104.db2.gz HKQVTLKUONDLEZ-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001661690712 1174146344 /nfs/dbraw/zinc/14/63/44/1174146344.db2.gz UUSJJAXAWSGRLJ-MCIONIFRSA-N 2 1 310.442 0.254 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC001663201558 1174275900 /nfs/dbraw/zinc/27/59/00/1174275900.db2.gz YUTMYLFMOGOGLE-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC001663201558 1174275905 /nfs/dbraw/zinc/27/59/05/1174275905.db2.gz YUTMYLFMOGOGLE-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H]1CC(C)(C)CO1 ZINC001663201558 1174275907 /nfs/dbraw/zinc/27/59/07/1174275907.db2.gz YUTMYLFMOGOGLE-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H]1CC(C)(C)CO1 ZINC001663201558 1174275913 /nfs/dbraw/zinc/27/59/13/1174275913.db2.gz YUTMYLFMOGOGLE-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CCCCO1 ZINC001663989088 1174380666 /nfs/dbraw/zinc/38/06/66/1174380666.db2.gz PBKNLZPDGNKCPF-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CCCCO1 ZINC001663989088 1174380670 /nfs/dbraw/zinc/38/06/70/1174380670.db2.gz PBKNLZPDGNKCPF-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001664853191 1174465964 /nfs/dbraw/zinc/46/59/64/1174465964.db2.gz GXVVXCCRZCBBLZ-HOTGVXAUSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001664853191 1174465969 /nfs/dbraw/zinc/46/59/69/1174465969.db2.gz GXVVXCCRZCBBLZ-HOTGVXAUSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001664853191 1174465971 /nfs/dbraw/zinc/46/59/71/1174465971.db2.gz GXVVXCCRZCBBLZ-HOTGVXAUSA-N 2 1 307.438 0.368 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccsc1 ZINC001667837474 1174721665 /nfs/dbraw/zinc/72/16/65/1174721665.db2.gz RTCFNRWUQOQKOZ-GJZGRUSLSA-N 2 1 321.446 0.412 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccsc1 ZINC001667837474 1174721668 /nfs/dbraw/zinc/72/16/68/1174721668.db2.gz RTCFNRWUQOQKOZ-GJZGRUSLSA-N 2 1 321.446 0.412 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001667836929 1174721736 /nfs/dbraw/zinc/72/17/36/1174721736.db2.gz KSBQWAWMLHQYJV-JKSUJKDBSA-N 2 1 307.438 0.483 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001669070664 1174886536 /nfs/dbraw/zinc/88/65/36/1174886536.db2.gz ZFAFPWYILXSLDM-PLNGDYQASA-N 2 1 318.421 0.918 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001672434145 1175108685 /nfs/dbraw/zinc/10/86/85/1175108685.db2.gz UYLWCPUYADKXOG-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001672434145 1175108688 /nfs/dbraw/zinc/10/86/88/1175108688.db2.gz UYLWCPUYADKXOG-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001672434145 1175108692 /nfs/dbraw/zinc/10/86/92/1175108692.db2.gz UYLWCPUYADKXOG-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001672766515 1175152191 /nfs/dbraw/zinc/15/21/91/1175152191.db2.gz HIKKMKSBICRYKY-UONOGXRCSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001672766515 1175152196 /nfs/dbraw/zinc/15/21/96/1175152196.db2.gz HIKKMKSBICRYKY-UONOGXRCSA-N 2 1 315.845 0.898 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001673288002 1175185152 /nfs/dbraw/zinc/18/51/52/1175185152.db2.gz CSCBNWCXGLLPOV-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC001673342486 1175193744 /nfs/dbraw/zinc/19/37/44/1175193744.db2.gz MQKVRHLQOZMZDB-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001673342486 1175193746 /nfs/dbraw/zinc/19/37/46/1175193746.db2.gz MQKVRHLQOZMZDB-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001676895126 1175501020 /nfs/dbraw/zinc/50/10/20/1175501020.db2.gz WAHWIZKJKYAIKS-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001676895126 1175501027 /nfs/dbraw/zinc/50/10/27/1175501027.db2.gz WAHWIZKJKYAIKS-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001677096398 1175525886 /nfs/dbraw/zinc/52/58/86/1175525886.db2.gz WWIAPBZMXVRFFZ-CVEARBPZSA-N 2 1 309.454 0.539 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001690628451 1177286904 /nfs/dbraw/zinc/28/69/04/1177286904.db2.gz NBWPBLJADJNLSQ-HOTGVXAUSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001692036663 1177405760 /nfs/dbraw/zinc/40/57/60/1177405760.db2.gz NPFQMSOIXGMNLN-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001692036663 1177405764 /nfs/dbraw/zinc/40/57/64/1177405764.db2.gz NPFQMSOIXGMNLN-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001692036663 1177405769 /nfs/dbraw/zinc/40/57/69/1177405769.db2.gz NPFQMSOIXGMNLN-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001692234331 1177453293 /nfs/dbraw/zinc/45/32/93/1177453293.db2.gz TXEYOAQLVJVVPY-BZUAXINKSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001692234331 1177453298 /nfs/dbraw/zinc/45/32/98/1177453298.db2.gz TXEYOAQLVJVVPY-BZUAXINKSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001692234331 1177453302 /nfs/dbraw/zinc/45/33/02/1177453302.db2.gz TXEYOAQLVJVVPY-BZUAXINKSA-N 2 1 307.438 0.245 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001698829329 1177685588 /nfs/dbraw/zinc/68/55/88/1177685588.db2.gz OWCMUGJVBYZUFG-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001699757208 1178277815 /nfs/dbraw/zinc/27/78/15/1178277815.db2.gz OWBFGXVNFBHBFL-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001699897923 1178349454 /nfs/dbraw/zinc/34/94/54/1178349454.db2.gz KHMDLGZKAPYCBQ-KRWDZBQOSA-N 2 1 314.389 0.995 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001699906749 1178361035 /nfs/dbraw/zinc/36/10/35/1178361035.db2.gz JAKIHHRQZBGZDT-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001700016950 1178431068 /nfs/dbraw/zinc/43/10/68/1178431068.db2.gz LQEXHRVSZLFUAC-BRWVUGGUSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700016950 1178431073 /nfs/dbraw/zinc/43/10/73/1178431073.db2.gz LQEXHRVSZLFUAC-BRWVUGGUSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001700016950 1178431077 /nfs/dbraw/zinc/43/10/77/1178431077.db2.gz LQEXHRVSZLFUAC-BRWVUGGUSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001700181426 1178521681 /nfs/dbraw/zinc/52/16/81/1178521681.db2.gz VNFAVKGIPXUBMP-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001700300741 1178571982 /nfs/dbraw/zinc/57/19/82/1178571982.db2.gz COXQDNVCFZTXNC-JKSUJKDBSA-N 2 1 319.449 0.580 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001700325541 1178583151 /nfs/dbraw/zinc/58/31/51/1178583151.db2.gz SBMXPNBNCHMWNJ-ZDUSSCGKSA-N 2 1 322.409 0.484 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001700567110 1178660973 /nfs/dbraw/zinc/66/09/73/1178660973.db2.gz IUIDZXBTLVSHDC-OAHLLOKOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001700567110 1178660984 /nfs/dbraw/zinc/66/09/84/1178660984.db2.gz IUIDZXBTLVSHDC-OAHLLOKOSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001700610869 1178680867 /nfs/dbraw/zinc/68/08/67/1178680867.db2.gz OFHUOHVUUSIHJR-ZFWWWQNUSA-N 2 1 304.394 0.420 20 30 DCEDMP CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001700716120 1178720242 /nfs/dbraw/zinc/72/02/42/1178720242.db2.gz MMJBBPDGJAIVLL-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001700848372 1178776119 /nfs/dbraw/zinc/77/61/19/1178776119.db2.gz DSTNKLUGSGKOMX-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001700939791 1178817688 /nfs/dbraw/zinc/81/76/88/1178817688.db2.gz URBHPCFLRDJGPQ-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCOC ZINC001701002590 1178866518 /nfs/dbraw/zinc/86/65/18/1178866518.db2.gz HCDBMZQKJNGIBV-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCOC ZINC001701002590 1178866528 /nfs/dbraw/zinc/86/65/28/1178866528.db2.gz HCDBMZQKJNGIBV-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CCOC ZINC001701002590 1178866536 /nfs/dbraw/zinc/86/65/36/1178866536.db2.gz HCDBMZQKJNGIBV-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CCOC ZINC001701002590 1178866548 /nfs/dbraw/zinc/86/65/48/1178866548.db2.gz HCDBMZQKJNGIBV-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001701024216 1178881374 /nfs/dbraw/zinc/88/13/74/1178881374.db2.gz ZGQKGYQRXBPIIZ-QQFBHYJXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1OCC ZINC001707152073 1180423984 /nfs/dbraw/zinc/42/39/84/1180423984.db2.gz KOSHPKXIDKPNBL-SQWLQELKSA-N 2 1 318.421 0.675 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001707211342 1180438200 /nfs/dbraw/zinc/43/82/00/1180438200.db2.gz CMXOQJDKKHSDOZ-INIZCTEOSA-N 2 1 307.438 0.391 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001713021402 1180630876 /nfs/dbraw/zinc/63/08/76/1180630876.db2.gz SSICQCVZVVOTGC-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713076971 1180668907 /nfs/dbraw/zinc/66/89/07/1180668907.db2.gz LXAOLYXQGAUADI-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713076971 1180668912 /nfs/dbraw/zinc/66/89/12/1180668912.db2.gz LXAOLYXQGAUADI-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713076971 1180668918 /nfs/dbraw/zinc/66/89/18/1180668918.db2.gz LXAOLYXQGAUADI-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713888710 1181130005 /nfs/dbraw/zinc/13/00/05/1181130005.db2.gz ADEXMYOKNJGXCF-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001713888710 1181130009 /nfs/dbraw/zinc/13/00/09/1181130009.db2.gz ADEXMYOKNJGXCF-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001713888710 1181130010 /nfs/dbraw/zinc/13/00/10/1181130010.db2.gz ADEXMYOKNJGXCF-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714064268 1181230856 /nfs/dbraw/zinc/23/08/56/1181230856.db2.gz BILDIXYIHLTRNA-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001714239937 1181290398 /nfs/dbraw/zinc/29/03/98/1181290398.db2.gz YPUCXDNBHWUPIM-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001714239937 1181290403 /nfs/dbraw/zinc/29/04/03/1181290403.db2.gz YPUCXDNBHWUPIM-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001714239938 1181291095 /nfs/dbraw/zinc/29/10/95/1181291095.db2.gz YPUCXDNBHWUPIM-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001714239938 1181291099 /nfs/dbraw/zinc/29/10/99/1181291099.db2.gz YPUCXDNBHWUPIM-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715056216 1181675411 /nfs/dbraw/zinc/67/54/11/1181675411.db2.gz JZGIJUCHDMXAIN-HZSPNIEDSA-N 2 1 310.442 0.113 20 30 DCEDMP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001715429391 1181810962 /nfs/dbraw/zinc/81/09/62/1181810962.db2.gz OZRUTEACSJMIDN-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001715609745 1181896319 /nfs/dbraw/zinc/89/63/19/1181896319.db2.gz UQNILIDBQJLJEF-KRWDZBQOSA-N 2 1 317.433 0.447 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001715875903 1182069278 /nfs/dbraw/zinc/06/92/78/1182069278.db2.gz SRNVIEPZSFPGLU-SREVYHEPSA-N 2 1 309.454 0.876 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716086377 1182182350 /nfs/dbraw/zinc/18/23/50/1182182350.db2.gz VWPCHEFVWDUZIH-ZBFHGGJFSA-N 2 1 307.438 0.341 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001716087259 1182182973 /nfs/dbraw/zinc/18/29/73/1182182973.db2.gz CEZKLCGJMLZZGZ-KGLIPLIRSA-N 2 1 306.410 0.487 20 30 DCEDMP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001716811189 1182534103 /nfs/dbraw/zinc/53/41/03/1182534103.db2.gz QUFFRDPPBFLAKJ-UKRRQHHQSA-N 2 1 322.453 0.127 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001716874578 1182555316 /nfs/dbraw/zinc/55/53/16/1182555316.db2.gz MGJXRXMGSPDRPV-WMZOPIPTSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001717109823 1182680557 /nfs/dbraw/zinc/68/05/57/1182680557.db2.gz MVXDJYGZAGQYIM-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717471378 1182848458 /nfs/dbraw/zinc/84/84/58/1182848458.db2.gz AQICAYHHOXKDRO-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717471378 1182848462 /nfs/dbraw/zinc/84/84/62/1182848462.db2.gz AQICAYHHOXKDRO-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717471378 1182848471 /nfs/dbraw/zinc/84/84/71/1182848471.db2.gz AQICAYHHOXKDRO-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717471378 1182848475 /nfs/dbraw/zinc/84/84/75/1182848475.db2.gz AQICAYHHOXKDRO-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCOC)CC1 ZINC001717500833 1182866176 /nfs/dbraw/zinc/86/61/76/1182866176.db2.gz YLTCNYHQMLIELP-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001717926822 1183066165 /nfs/dbraw/zinc/06/61/65/1183066165.db2.gz FMFKCVSJXYISHZ-GDBMZVCRSA-N 2 1 320.437 0.739 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724630412 1184481506 /nfs/dbraw/zinc/48/15/06/1184481506.db2.gz CPJJATWUCVUBNA-OAHLLOKOSA-N 2 1 306.454 0.132 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001724812732 1184569016 /nfs/dbraw/zinc/56/90/16/1184569016.db2.gz KAHJIVBHJYDQHM-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001724998328 1184651726 /nfs/dbraw/zinc/65/17/26/1184651726.db2.gz APIOJRIVGRFJSZ-GDBMZVCRSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001724998328 1184651730 /nfs/dbraw/zinc/65/17/30/1184651730.db2.gz APIOJRIVGRFJSZ-GDBMZVCRSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001731485655 1185355802 /nfs/dbraw/zinc/35/58/02/1185355802.db2.gz SJQRGGKDDRROLP-YHUYYLMFSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001731508664 1185368404 /nfs/dbraw/zinc/36/84/04/1185368404.db2.gz OXUPUUJIVCPKNB-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001731595462 1185404738 /nfs/dbraw/zinc/40/47/38/1185404738.db2.gz VBZDXMTYJXSBMI-MELADBBJSA-N 2 1 310.442 0.113 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001731701661 1185449663 /nfs/dbraw/zinc/44/96/63/1185449663.db2.gz IPIMEGWOCIFIRH-JKSUJKDBSA-N 2 1 318.421 0.858 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001731832077 1185513365 /nfs/dbraw/zinc/51/33/65/1185513365.db2.gz CPPDLPOGNDRHEY-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001731832077 1185513370 /nfs/dbraw/zinc/51/33/70/1185513370.db2.gz CPPDLPOGNDRHEY-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001733270817 1186208229 /nfs/dbraw/zinc/20/82/29/1186208229.db2.gz DTKGCYKUMUTXGT-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001733270817 1186208242 /nfs/dbraw/zinc/20/82/42/1186208242.db2.gz DTKGCYKUMUTXGT-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001733270817 1186208244 /nfs/dbraw/zinc/20/82/44/1186208244.db2.gz DTKGCYKUMUTXGT-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001733270817 1186208249 /nfs/dbraw/zinc/20/82/49/1186208249.db2.gz DTKGCYKUMUTXGT-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001733367302 1186241543 /nfs/dbraw/zinc/24/15/43/1186241543.db2.gz YCYQMCUREVUJFJ-ZBFHGGJFSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001733399599 1186256066 /nfs/dbraw/zinc/25/60/66/1186256066.db2.gz PTLGCANUKMEAQI-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001733399599 1186256071 /nfs/dbraw/zinc/25/60/71/1186256071.db2.gz PTLGCANUKMEAQI-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001733399599 1186256080 /nfs/dbraw/zinc/25/60/80/1186256080.db2.gz PTLGCANUKMEAQI-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001733406091 1186259772 /nfs/dbraw/zinc/25/97/72/1186259772.db2.gz LSBWYMYGNZQNGL-QGZVFWFLSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001733406091 1186259778 /nfs/dbraw/zinc/25/97/78/1186259778.db2.gz LSBWYMYGNZQNGL-QGZVFWFLSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001733406091 1186259783 /nfs/dbraw/zinc/25/97/83/1186259783.db2.gz LSBWYMYGNZQNGL-QGZVFWFLSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001733618172 1186370976 /nfs/dbraw/zinc/37/09/76/1186370976.db2.gz LFMPJKRZJFDLFY-MRXNPFEDSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CC1CCC1 ZINC001734538158 1186682786 /nfs/dbraw/zinc/68/27/86/1186682786.db2.gz CMNOWMKMOFCYBL-SJORKVTESA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC1CCC1 ZINC001734538158 1186682790 /nfs/dbraw/zinc/68/27/90/1186682790.db2.gz CMNOWMKMOFCYBL-SJORKVTESA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CC1CCC1 ZINC001734538158 1186682792 /nfs/dbraw/zinc/68/27/92/1186682792.db2.gz CMNOWMKMOFCYBL-SJORKVTESA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CC1CCC1 ZINC001734538158 1186682794 /nfs/dbraw/zinc/68/27/94/1186682794.db2.gz CMNOWMKMOFCYBL-SJORKVTESA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001752366124 1188418307 /nfs/dbraw/zinc/41/83/07/1188418307.db2.gz SMYZOCSHQUMQCP-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001752366124 1188418310 /nfs/dbraw/zinc/41/83/10/1188418310.db2.gz SMYZOCSHQUMQCP-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001752365774 1188418383 /nfs/dbraw/zinc/41/83/83/1188418383.db2.gz JLUJETLEWSGYKY-UHFFFAOYSA-N 2 1 308.470 0.781 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001752825366 1188447114 /nfs/dbraw/zinc/44/71/14/1188447114.db2.gz QVZZQGPYNDAYGS-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001752825366 1188447115 /nfs/dbraw/zinc/44/71/15/1188447115.db2.gz QVZZQGPYNDAYGS-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001752825366 1188447118 /nfs/dbraw/zinc/44/71/18/1188447118.db2.gz QVZZQGPYNDAYGS-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001752825366 1188447119 /nfs/dbraw/zinc/44/71/19/1188447119.db2.gz QVZZQGPYNDAYGS-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001752872178 1188453050 /nfs/dbraw/zinc/45/30/50/1188453050.db2.gz AZFWNOWIFUZXDM-KGLIPLIRSA-N 2 1 310.442 0.256 20 30 DCEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001753025281 1188479166 /nfs/dbraw/zinc/47/91/66/1188479166.db2.gz QINLSKIVRAIPNC-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001753025281 1188479169 /nfs/dbraw/zinc/47/91/69/1188479169.db2.gz QINLSKIVRAIPNC-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001753025281 1188479172 /nfs/dbraw/zinc/47/91/72/1188479172.db2.gz QINLSKIVRAIPNC-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001753025281 1188479174 /nfs/dbraw/zinc/47/91/74/1188479174.db2.gz QINLSKIVRAIPNC-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001753154172 1188516718 /nfs/dbraw/zinc/51/67/18/1188516718.db2.gz BMPJTQXVFBIXBC-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001753154172 1188516719 /nfs/dbraw/zinc/51/67/19/1188516719.db2.gz BMPJTQXVFBIXBC-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001753154172 1188516723 /nfs/dbraw/zinc/51/67/23/1188516723.db2.gz BMPJTQXVFBIXBC-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001753154172 1188516726 /nfs/dbraw/zinc/51/67/26/1188516726.db2.gz BMPJTQXVFBIXBC-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001753767898 1188653097 /nfs/dbraw/zinc/65/30/97/1188653097.db2.gz PVLBENFRPSTBLL-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCOCC1 ZINC001754377141 1188836908 /nfs/dbraw/zinc/83/69/08/1188836908.db2.gz UHDLJPCSEVKKCM-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCOCC1 ZINC001754377141 1188836909 /nfs/dbraw/zinc/83/69/09/1188836909.db2.gz UHDLJPCSEVKKCM-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754756207 1188923769 /nfs/dbraw/zinc/92/37/69/1188923769.db2.gz JCZMEDBZKHEHKV-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138502 1189034250 /nfs/dbraw/zinc/03/42/50/1189034250.db2.gz BDOCWIZBCMURGP-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001755138502 1189034254 /nfs/dbraw/zinc/03/42/54/1189034254.db2.gz BDOCWIZBCMURGP-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001755138502 1189034258 /nfs/dbraw/zinc/03/42/58/1189034258.db2.gz BDOCWIZBCMURGP-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001755477115 1189122863 /nfs/dbraw/zinc/12/28/63/1189122863.db2.gz JDGVHBSPECTUNZ-RBSFLKMASA-N 2 1 300.406 0.872 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001755699320 1189188997 /nfs/dbraw/zinc/18/89/97/1189188997.db2.gz AZNAQGWQZCQKNN-RHSMWYFYSA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755801210 1189222218 /nfs/dbraw/zinc/22/22/18/1189222218.db2.gz WQVVZVYTJZWQJY-JKSUJKDBSA-N 2 1 307.438 0.103 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001127701543 751645547 /nfs/dbraw/zinc/64/55/47/751645547.db2.gz SVKBQZKEECSHKO-RRFJBIMHSA-N 2 1 322.453 0.209 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107012026 751751352 /nfs/dbraw/zinc/75/13/52/751751352.db2.gz HHBBUAWOCKDTJA-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107012026 751751358 /nfs/dbraw/zinc/75/13/58/751751358.db2.gz HHBBUAWOCKDTJA-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098532911 747019858 /nfs/dbraw/zinc/01/98/58/747019858.db2.gz KACXHTXHUHFELL-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001098532911 747019867 /nfs/dbraw/zinc/01/98/67/747019867.db2.gz KACXHTXHUHFELL-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098532911 747019873 /nfs/dbraw/zinc/01/98/73/747019873.db2.gz KACXHTXHUHFELL-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249649 747424739 /nfs/dbraw/zinc/42/47/39/747424739.db2.gz PKGYZMMCMJHSNZ-LSDHHAIUSA-N 2 1 305.422 0.570 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249649 747424744 /nfs/dbraw/zinc/42/47/44/747424744.db2.gz PKGYZMMCMJHSNZ-LSDHHAIUSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001100678182 747602547 /nfs/dbraw/zinc/60/25/47/747602547.db2.gz BXAFBMMHTVTUFJ-WLYUNCDWSA-N 2 1 322.453 0.115 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010452 748003365 /nfs/dbraw/zinc/00/33/65/748003365.db2.gz MDMLMBHCHGMRQO-ZACQAIPSSA-N 2 1 321.465 0.662 20 30 DCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105040535 748010805 /nfs/dbraw/zinc/01/08/05/748010805.db2.gz KRYUDTMUIQXNRB-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105040535 748010812 /nfs/dbraw/zinc/01/08/12/748010812.db2.gz KRYUDTMUIQXNRB-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203215132 748627850 /nfs/dbraw/zinc/62/78/50/748627850.db2.gz RPZVSRIAZYVINH-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H](O)C1 ZINC001083461000 749797663 /nfs/dbraw/zinc/79/76/63/749797663.db2.gz IRQIBGPEUQZLCP-CABCVRRESA-N 2 1 314.389 0.994 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3nccn32)[C@@H](O)C1 ZINC001083522310 750092023 /nfs/dbraw/zinc/09/20/23/750092023.db2.gz BJKCUKGQQAJAMC-RDBSUJKOSA-N 2 1 304.394 0.498 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083522310 750092029 /nfs/dbraw/zinc/09/20/29/750092029.db2.gz BJKCUKGQQAJAMC-RDBSUJKOSA-N 2 1 304.394 0.498 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077128086 750214445 /nfs/dbraw/zinc/21/44/45/750214445.db2.gz WMJJZARKICNVHH-ARFHVFGLSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128086 750214448 /nfs/dbraw/zinc/21/44/48/750214448.db2.gz WMJJZARKICNVHH-ARFHVFGLSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128086 750214454 /nfs/dbraw/zinc/21/44/54/750214454.db2.gz WMJJZARKICNVHH-ARFHVFGLSA-N 2 1 307.438 0.149 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cncc3C2)[C@@H](O)C1 ZINC001083579827 750409165 /nfs/dbraw/zinc/40/91/65/750409165.db2.gz FBOMTBXEFFQUBY-CFVMTHIKSA-N 2 1 304.394 0.183 20 30 DCEDMP C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCn3cncc3C2)[C@@H](O)C1 ZINC001083579827 750409172 /nfs/dbraw/zinc/40/91/72/750409172.db2.gz FBOMTBXEFFQUBY-CFVMTHIKSA-N 2 1 304.394 0.183 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077777337 752519847 /nfs/dbraw/zinc/51/98/47/752519847.db2.gz IAVOMPQKZOMAMA-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077777337 752519853 /nfs/dbraw/zinc/51/98/53/752519853.db2.gz IAVOMPQKZOMAMA-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777337 752519855 /nfs/dbraw/zinc/51/98/55/752519855.db2.gz IAVOMPQKZOMAMA-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777337 752519863 /nfs/dbraw/zinc/51/98/63/752519863.db2.gz IAVOMPQKZOMAMA-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046033365 753437857 /nfs/dbraw/zinc/43/78/57/753437857.db2.gz VUEGPHQPHKZONO-BRWVUGGUSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033365 753437862 /nfs/dbraw/zinc/43/78/62/753437862.db2.gz VUEGPHQPHKZONO-BRWVUGGUSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033365 753437866 /nfs/dbraw/zinc/43/78/66/753437866.db2.gz VUEGPHQPHKZONO-BRWVUGGUSA-N 2 1 320.481 0.731 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064020 753457287 /nfs/dbraw/zinc/45/72/87/753457287.db2.gz CLHRKETVKXWEEO-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064020 753457290 /nfs/dbraw/zinc/45/72/90/753457290.db2.gz CLHRKETVKXWEEO-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064020 753457294 /nfs/dbraw/zinc/45/72/94/753457294.db2.gz CLHRKETVKXWEEO-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081843 753470775 /nfs/dbraw/zinc/47/07/75/753470775.db2.gz KOGVNDFXZFBCKB-HZPDHXFCSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081843 753470779 /nfs/dbraw/zinc/47/07/79/753470779.db2.gz KOGVNDFXZFBCKB-HZPDHXFCSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081843 753470782 /nfs/dbraw/zinc/47/07/82/753470782.db2.gz KOGVNDFXZFBCKB-HZPDHXFCSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083833339 753962713 /nfs/dbraw/zinc/96/27/13/753962713.db2.gz WECNCRPHPXARKL-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083833339 753962715 /nfs/dbraw/zinc/96/27/15/753962715.db2.gz WECNCRPHPXARKL-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083833339 753962718 /nfs/dbraw/zinc/96/27/18/753962718.db2.gz WECNCRPHPXARKL-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047384328 754232162 /nfs/dbraw/zinc/23/21/62/754232162.db2.gz WJMNDLNKQLOQPI-PMPSAXMXSA-N 2 1 307.438 0.408 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047483127 754323293 /nfs/dbraw/zinc/32/32/93/754323293.db2.gz XWPBWTXEZLCRBW-GJZGRUSLSA-N 2 1 307.438 0.388 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833283 754968028 /nfs/dbraw/zinc/96/80/28/754968028.db2.gz MSUYTVGSGVCSIZ-TWMKSMIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833283 754968033 /nfs/dbraw/zinc/96/80/33/754968033.db2.gz MSUYTVGSGVCSIZ-TWMKSMIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833283 754968034 /nfs/dbraw/zinc/96/80/34/754968034.db2.gz MSUYTVGSGVCSIZ-TWMKSMIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001048891839 755000782 /nfs/dbraw/zinc/00/07/82/755000782.db2.gz XHXXWKNCPLWFLQ-IYBDPMFKSA-N 2 1 319.449 0.368 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222453 755190693 /nfs/dbraw/zinc/19/06/93/755190693.db2.gz IGZPSQCXMHZFLL-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222453 755190695 /nfs/dbraw/zinc/19/06/95/755190695.db2.gz IGZPSQCXMHZFLL-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222453 755190696 /nfs/dbraw/zinc/19/06/96/755190696.db2.gz IGZPSQCXMHZFLL-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222453 755190699 /nfs/dbraw/zinc/19/06/99/755190699.db2.gz IGZPSQCXMHZFLL-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049547451 755309507 /nfs/dbraw/zinc/30/95/07/755309507.db2.gz DXOBRRAWUDGMAM-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049547451 755309510 /nfs/dbraw/zinc/30/95/10/755309510.db2.gz DXOBRRAWUDGMAM-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547451 755309513 /nfs/dbraw/zinc/30/95/13/755309513.db2.gz DXOBRRAWUDGMAM-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547451 755309518 /nfs/dbraw/zinc/30/95/18/755309518.db2.gz DXOBRRAWUDGMAM-LVQVYYBASA-N 2 1 307.438 0.957 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791463 755400656 /nfs/dbraw/zinc/40/06/56/755400656.db2.gz VHLAMTYEFPDONC-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791463 755400659 /nfs/dbraw/zinc/40/06/59/755400659.db2.gz VHLAMTYEFPDONC-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049790960 755400752 /nfs/dbraw/zinc/40/07/52/755400752.db2.gz OWIXQDXKMWGDMC-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049790960 755400756 /nfs/dbraw/zinc/40/07/56/755400756.db2.gz OWIXQDXKMWGDMC-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791465 755402234 /nfs/dbraw/zinc/40/22/34/755402234.db2.gz VHLAMTYEFPDONC-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791465 755402236 /nfs/dbraw/zinc/40/22/36/755402236.db2.gz VHLAMTYEFPDONC-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947536 755881108 /nfs/dbraw/zinc/88/11/08/755881108.db2.gz SBQBSSNBKRXDCJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947536 755881114 /nfs/dbraw/zinc/88/11/14/755881114.db2.gz SBQBSSNBKRXDCJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947536 755881118 /nfs/dbraw/zinc/88/11/18/755881118.db2.gz SBQBSSNBKRXDCJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947536 755881126 /nfs/dbraw/zinc/88/11/26/755881126.db2.gz SBQBSSNBKRXDCJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080164641 756118723 /nfs/dbraw/zinc/11/87/23/756118723.db2.gz LAAZMLOARWJRPR-RJZXRHAOSA-N 2 1 305.422 0.472 20 30 DCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080164641 756118729 /nfs/dbraw/zinc/11/87/29/756118729.db2.gz LAAZMLOARWJRPR-RJZXRHAOSA-N 2 1 305.422 0.472 20 30 DCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080164641 756118735 /nfs/dbraw/zinc/11/87/35/756118735.db2.gz LAAZMLOARWJRPR-RJZXRHAOSA-N 2 1 305.422 0.472 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082290388 757021692 /nfs/dbraw/zinc/02/16/92/757021692.db2.gz XBBKORXQHKMVML-IAGOWNOFSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082290388 757021706 /nfs/dbraw/zinc/02/17/06/757021706.db2.gz XBBKORXQHKMVML-IAGOWNOFSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318116 757035532 /nfs/dbraw/zinc/03/55/32/757035532.db2.gz YPZAMTCOEMVFFT-IAGOWNOFSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318116 757035541 /nfs/dbraw/zinc/03/55/41/757035541.db2.gz YPZAMTCOEMVFFT-IAGOWNOFSA-N 2 1 319.449 0.557 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083620 757481510 /nfs/dbraw/zinc/48/15/10/757481510.db2.gz CIYBGALFKSJEER-IXDOHACOSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144138 757524992 /nfs/dbraw/zinc/52/49/92/757524992.db2.gz QTIZFVKJMQJYBH-LSDHHAIUSA-N 2 1 304.394 0.679 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144138 757524996 /nfs/dbraw/zinc/52/49/96/757524996.db2.gz QTIZFVKJMQJYBH-LSDHHAIUSA-N 2 1 304.394 0.679 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001050550174 757829668 /nfs/dbraw/zinc/82/96/68/757829668.db2.gz HTXFFHMKLZLCMY-CVEARBPZSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001050550174 757829672 /nfs/dbraw/zinc/82/96/72/757829672.db2.gz HTXFFHMKLZLCMY-CVEARBPZSA-N 2 1 319.449 0.389 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050761354 758036278 /nfs/dbraw/zinc/03/62/78/758036278.db2.gz LYRUPQDSMYXJLK-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050761354 758036281 /nfs/dbraw/zinc/03/62/81/758036281.db2.gz LYRUPQDSMYXJLK-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085096774 758208760 /nfs/dbraw/zinc/20/87/60/758208760.db2.gz RQMBSQJIHVBIKB-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085096774 758208768 /nfs/dbraw/zinc/20/87/68/758208768.db2.gz RQMBSQJIHVBIKB-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096774 758208778 /nfs/dbraw/zinc/20/87/78/758208778.db2.gz RQMBSQJIHVBIKB-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096774 758208785 /nfs/dbraw/zinc/20/87/85/758208785.db2.gz RQMBSQJIHVBIKB-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098391737 759217462 /nfs/dbraw/zinc/21/74/62/759217462.db2.gz HLDFWAXUERQXIE-INIZCTEOSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085732058 759246781 /nfs/dbraw/zinc/24/67/81/759246781.db2.gz QGHVZEVAYTYTPP-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732058 759246786 /nfs/dbraw/zinc/24/67/86/759246786.db2.gz QGHVZEVAYTYTPP-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732058 759246794 /nfs/dbraw/zinc/24/67/94/759246794.db2.gz QGHVZEVAYTYTPP-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCO)CC1 ZINC001052459328 759431512 /nfs/dbraw/zinc/43/15/12/759431512.db2.gz LDHYPBMRWJKZGI-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001052459328 759431517 /nfs/dbraw/zinc/43/15/17/759431517.db2.gz LDHYPBMRWJKZGI-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCO)CC1 ZINC001052459328 759431522 /nfs/dbraw/zinc/43/15/22/759431522.db2.gz LDHYPBMRWJKZGI-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCO)CC1 ZINC001052459328 759431527 /nfs/dbraw/zinc/43/15/27/759431527.db2.gz LDHYPBMRWJKZGI-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](CCC)CCO)CC1 ZINC001098396070 759458205 /nfs/dbraw/zinc/45/82/05/759458205.db2.gz NTRDJEZYTDZTKN-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CCC)CCO)CC1 ZINC001098396070 759458209 /nfs/dbraw/zinc/45/82/09/759458209.db2.gz NTRDJEZYTDZTKN-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CCC)CCO)CC1 ZINC001098396070 759458212 /nfs/dbraw/zinc/45/82/12/759458212.db2.gz NTRDJEZYTDZTKN-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCC)CCO)CC1 ZINC001098396070 759458215 /nfs/dbraw/zinc/45/82/15/759458215.db2.gz NTRDJEZYTDZTKN-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCC)CCO)CC1 ZINC001098396070 759458220 /nfs/dbraw/zinc/45/82/20/759458220.db2.gz NTRDJEZYTDZTKN-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)COC)CC1 ZINC001085986627 759547437 /nfs/dbraw/zinc/54/74/37/759547437.db2.gz JCGCBQNUVYVBSX-DOTOQJQBSA-N 2 1 321.465 0.899 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086052120 759636895 /nfs/dbraw/zinc/63/68/95/759636895.db2.gz APPOXDJKUZYMKZ-XQQFMLRXSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086052120 759636901 /nfs/dbraw/zinc/63/69/01/759636901.db2.gz APPOXDJKUZYMKZ-XQQFMLRXSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086373071 760110527 /nfs/dbraw/zinc/11/05/27/760110527.db2.gz KCDLGSACGPBMPV-VGWMRTNUSA-N 2 1 307.438 0.910 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155790285 760171933 /nfs/dbraw/zinc/17/19/33/760171933.db2.gz JCIFYSYUGLJWLB-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001115300797 760758588 /nfs/dbraw/zinc/75/85/88/760758588.db2.gz ZVPUZCQOVKQZLQ-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001115300797 760758591 /nfs/dbraw/zinc/75/85/91/760758591.db2.gz ZVPUZCQOVKQZLQ-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001115300797 760758593 /nfs/dbraw/zinc/75/85/93/760758593.db2.gz ZVPUZCQOVKQZLQ-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809704 760869704 /nfs/dbraw/zinc/86/97/04/760869704.db2.gz JHHDUBHYJOWJTP-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209074 761136512 /nfs/dbraw/zinc/13/65/12/761136512.db2.gz LFYNKPVYXOXKOS-CABCVRRESA-N 2 1 318.425 0.290 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748580 768035392 /nfs/dbraw/zinc/03/53/92/768035392.db2.gz VBPGQZXQRQPAKU-HNNXBMFYSA-N 2 1 305.422 0.122 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748580 768035399 /nfs/dbraw/zinc/03/53/99/768035399.db2.gz VBPGQZXQRQPAKU-HNNXBMFYSA-N 2 1 305.422 0.122 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748580 768035402 /nfs/dbraw/zinc/03/54/02/768035402.db2.gz VBPGQZXQRQPAKU-HNNXBMFYSA-N 2 1 305.422 0.122 20 30 DCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598553 762909163 /nfs/dbraw/zinc/90/91/63/762909163.db2.gz GFQVWAFIYPNWQK-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598553 762909174 /nfs/dbraw/zinc/90/91/74/762909174.db2.gz GFQVWAFIYPNWQK-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598553 762909181 /nfs/dbraw/zinc/90/91/81/762909181.db2.gz GFQVWAFIYPNWQK-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598553 762909190 /nfs/dbraw/zinc/90/91/90/762909190.db2.gz GFQVWAFIYPNWQK-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](OC)C1CCCC1 ZINC001129771094 763008223 /nfs/dbraw/zinc/00/82/23/763008223.db2.gz QPZUUEXBXMYAGK-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](OC)C1CCCC1 ZINC001129771094 763008225 /nfs/dbraw/zinc/00/82/25/763008225.db2.gz QPZUUEXBXMYAGK-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001129770869 763009488 /nfs/dbraw/zinc/00/94/88/763009488.db2.gz MGPPOBUOYCQMBR-HNNXBMFYSA-N 2 1 316.430 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001129770869 763009492 /nfs/dbraw/zinc/00/94/92/763009492.db2.gz MGPPOBUOYCQMBR-HNNXBMFYSA-N 2 1 316.430 0.923 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871435 763090453 /nfs/dbraw/zinc/09/04/53/763090453.db2.gz DBHNFRUWGIOFNY-LSDHHAIUSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938225 763143197 /nfs/dbraw/zinc/14/31/97/763143197.db2.gz SKAIAVKHHJBFMH-HZPDHXFCSA-N 2 1 321.465 0.826 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972464 763177360 /nfs/dbraw/zinc/17/73/60/763177360.db2.gz WYLXALVJOYOZGO-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100014081 763218864 /nfs/dbraw/zinc/21/88/64/763218864.db2.gz YJMRPSIDYNMPNZ-CABCVRRESA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100014081 763218872 /nfs/dbraw/zinc/21/88/72/763218872.db2.gz YJMRPSIDYNMPNZ-CABCVRRESA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100014081 763218876 /nfs/dbraw/zinc/21/88/76/763218876.db2.gz YJMRPSIDYNMPNZ-CABCVRRESA-N 2 1 309.454 0.539 20 30 DCEDMP C=CCCC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381192 763781501 /nfs/dbraw/zinc/78/15/01/763781501.db2.gz JRZUHULLOICGEI-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132359514 764416462 /nfs/dbraw/zinc/41/64/62/764416462.db2.gz MPBZVTZRZHAYLS-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132359514 764416468 /nfs/dbraw/zinc/41/64/68/764416468.db2.gz MPBZVTZRZHAYLS-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102495625 764669215 /nfs/dbraw/zinc/66/92/15/764669215.db2.gz FEPGSIRQBCIRSA-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495625 764669220 /nfs/dbraw/zinc/66/92/20/764669220.db2.gz FEPGSIRQBCIRSA-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495625 764669225 /nfs/dbraw/zinc/66/92/25/764669225.db2.gz FEPGSIRQBCIRSA-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133165635 764854931 /nfs/dbraw/zinc/85/49/31/764854931.db2.gz KLYDVMLXMFZMST-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCOC)C[C@H]1C ZINC001103099278 764943911 /nfs/dbraw/zinc/94/39/11/764943911.db2.gz HORCZLNNFPOIPY-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOC)C[C@H]1C ZINC001103099278 764943916 /nfs/dbraw/zinc/94/39/16/764943916.db2.gz HORCZLNNFPOIPY-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOC)C[C@H]1C ZINC001103099278 764943924 /nfs/dbraw/zinc/94/39/24/764943924.db2.gz HORCZLNNFPOIPY-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOC)C[C@H]1C ZINC001103099278 764943930 /nfs/dbraw/zinc/94/39/30/764943930.db2.gz HORCZLNNFPOIPY-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092291430 768264506 /nfs/dbraw/zinc/26/45/06/768264506.db2.gz AIJKSIHWSPJWJY-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092291430 768264510 /nfs/dbraw/zinc/26/45/10/768264510.db2.gz AIJKSIHWSPJWJY-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092291430 768264514 /nfs/dbraw/zinc/26/45/14/768264514.db2.gz AIJKSIHWSPJWJY-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092291430 768264518 /nfs/dbraw/zinc/26/45/18/768264518.db2.gz AIJKSIHWSPJWJY-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133870880 765199879 /nfs/dbraw/zinc/19/98/79/765199879.db2.gz WNNHUWIYRUUDOX-CJNGLKHVSA-N 2 1 300.406 0.962 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115462099 765741541 /nfs/dbraw/zinc/74/15/41/765741541.db2.gz RIGVUAUSVIMRAZ-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115462099 765741545 /nfs/dbraw/zinc/74/15/45/765741545.db2.gz RIGVUAUSVIMRAZ-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC=C)C[C@H]2O)CC1 ZINC001090829682 766647613 /nfs/dbraw/zinc/64/76/13/766647613.db2.gz DOEOTSOFKYRYMP-DLBZAZTESA-N 2 1 319.449 0.459 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001119766143 766804997 /nfs/dbraw/zinc/80/49/97/766804997.db2.gz PQEOBEUSHXKOJA-CQSZACIVSA-N 2 1 318.425 0.664 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001119766143 766805009 /nfs/dbraw/zinc/80/50/09/766805009.db2.gz PQEOBEUSHXKOJA-CQSZACIVSA-N 2 1 318.425 0.664 20 30 DCEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC[NH+](CCO)CCO ZINC001171178477 766899984 /nfs/dbraw/zinc/89/99/84/766899984.db2.gz GQPQHWHBJGGETD-HNNXBMFYSA-N 2 1 305.422 0.756 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147211849 767674348 /nfs/dbraw/zinc/67/43/48/767674348.db2.gz HTXLUECKVAJJNZ-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147211849 767674354 /nfs/dbraw/zinc/67/43/54/767674354.db2.gz HTXLUECKVAJJNZ-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147211849 767674358 /nfs/dbraw/zinc/67/43/58/767674358.db2.gz HTXLUECKVAJJNZ-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001149863270 768891543 /nfs/dbraw/zinc/89/15/43/768891543.db2.gz ZRQHKARUXRZAJT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149863270 768891553 /nfs/dbraw/zinc/89/15/53/768891553.db2.gz ZRQHKARUXRZAJT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863270 768891563 /nfs/dbraw/zinc/89/15/63/768891563.db2.gz ZRQHKARUXRZAJT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863270 768891573 /nfs/dbraw/zinc/89/15/73/768891573.db2.gz ZRQHKARUXRZAJT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938554 769427527 /nfs/dbraw/zinc/42/75/27/769427527.db2.gz XNROIFHQONNZDD-LSDHHAIUSA-N 2 1 309.454 0.988 20 30 DCEDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCC(C)(C#N)CC1 ZINC001173586122 769683757 /nfs/dbraw/zinc/68/37/57/769683757.db2.gz IIERBVCCQDRCPR-AVERBVTBSA-N 2 1 309.414 0.853 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2csnn2)CC1 ZINC001176925865 770225337 /nfs/dbraw/zinc/22/53/37/770225337.db2.gz CWQVTIXODKJSRN-UHFFFAOYSA-N 2 1 321.450 0.479 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226097 770440350 /nfs/dbraw/zinc/44/03/50/770440350.db2.gz HDAQHWIULDEOCF-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226097 770440355 /nfs/dbraw/zinc/44/03/55/770440355.db2.gz HDAQHWIULDEOCF-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226097 770440361 /nfs/dbraw/zinc/44/03/61/770440361.db2.gz HDAQHWIULDEOCF-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226097 770440367 /nfs/dbraw/zinc/44/03/67/770440367.db2.gz HDAQHWIULDEOCF-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156063746 770709557 /nfs/dbraw/zinc/70/95/57/770709557.db2.gz DWGWNIJHFHSILH-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179179384 770954159 /nfs/dbraw/zinc/95/41/59/770954159.db2.gz VGFKNXISGWHFRU-SWOOZJHCSA-N 2 1 317.433 0.452 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183390859 771642516 /nfs/dbraw/zinc/64/25/16/771642516.db2.gz LBXJTIROFOBDMI-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157886778 771686901 /nfs/dbraw/zinc/68/69/01/771686901.db2.gz MOJWQOYLFOWPEN-CQSZACIVSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185294758 771901326 /nfs/dbraw/zinc/90/13/26/771901326.db2.gz SLMUWPMMNLCRIN-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001159726303 771948776 /nfs/dbraw/zinc/94/87/76/771948776.db2.gz UNTDRNUCLLRLEU-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001159726303 771948778 /nfs/dbraw/zinc/94/87/78/771948778.db2.gz UNTDRNUCLLRLEU-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159726303 771948780 /nfs/dbraw/zinc/94/87/80/771948780.db2.gz UNTDRNUCLLRLEU-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159726303 771948781 /nfs/dbraw/zinc/94/87/81/771948781.db2.gz UNTDRNUCLLRLEU-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160273427 772017704 /nfs/dbraw/zinc/01/77/04/772017704.db2.gz MLRGZGUECOACAI-GJZGRUSLSA-N 2 1 324.469 0.647 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)C1=O ZINC001186824927 772097201 /nfs/dbraw/zinc/09/72/01/772097201.db2.gz RBCRABUZMOJNDR-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305285 772171839 /nfs/dbraw/zinc/17/18/39/772171839.db2.gz ULHJNCDUNJOEHJ-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305285 772171841 /nfs/dbraw/zinc/17/18/41/772171841.db2.gz ULHJNCDUNJOEHJ-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305285 772171842 /nfs/dbraw/zinc/17/18/42/772171842.db2.gz ULHJNCDUNJOEHJ-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801609 772543334 /nfs/dbraw/zinc/54/33/34/772543334.db2.gz IETYUILZAUYVIT-JKSUJKDBSA-N 2 1 317.433 0.265 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536498 772675345 /nfs/dbraw/zinc/67/53/45/772675345.db2.gz SRTPQZUVYUGODQ-HNNXBMFYSA-N 2 1 313.442 0.394 20 30 DCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191430623 772767416 /nfs/dbraw/zinc/76/74/16/772767416.db2.gz GGOMHZLEZIMCAE-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191431961 772768195 /nfs/dbraw/zinc/76/81/95/772768195.db2.gz XJJRJDYAUACXFH-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001191431961 772768198 /nfs/dbraw/zinc/76/81/98/772768198.db2.gz XJJRJDYAUACXFH-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191431961 772768201 /nfs/dbraw/zinc/76/82/01/772768201.db2.gz XJJRJDYAUACXFH-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203650001 772918250 /nfs/dbraw/zinc/91/82/50/772918250.db2.gz DZZRJVJHYXGNAM-JKSUJKDBSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193456233 773072165 /nfs/dbraw/zinc/07/21/65/773072165.db2.gz OMZSDYCRMLOWLA-MGPQQGTHSA-N 2 1 301.406 0.404 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206928886 773137312 /nfs/dbraw/zinc/13/73/12/773137312.db2.gz MHXVLTIKMWKWKX-MRXNPFEDSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001206943234 773143610 /nfs/dbraw/zinc/14/36/10/773143610.db2.gz GWCJETXKAMAWHS-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206943234 773143613 /nfs/dbraw/zinc/14/36/13/773143613.db2.gz GWCJETXKAMAWHS-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980243 773155376 /nfs/dbraw/zinc/15/53/76/773155376.db2.gz NQJLUMMJNDXTAH-DJIMGWMZSA-N 2 1 321.465 0.967 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006708 773305181 /nfs/dbraw/zinc/30/51/81/773305181.db2.gz NOCNLYGIXYHAJL-HUUCEWRRSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001208352389 773440602 /nfs/dbraw/zinc/44/06/02/773440602.db2.gz DDSUKLLXHDAXGA-SJORKVTESA-N 2 1 317.433 0.314 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001208352389 773440605 /nfs/dbraw/zinc/44/06/05/773440605.db2.gz DDSUKLLXHDAXGA-SJORKVTESA-N 2 1 317.433 0.314 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208569119 773499094 /nfs/dbraw/zinc/49/90/94/773499094.db2.gz QHCHYOGEOKWSDO-CQSZACIVSA-N 2 1 319.409 0.074 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001208590457 773504156 /nfs/dbraw/zinc/50/41/56/773504156.db2.gz GIVIWPZWROHDIV-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208590457 773504161 /nfs/dbraw/zinc/50/41/61/773504161.db2.gz GIVIWPZWROHDIV-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208590457 773504167 /nfs/dbraw/zinc/50/41/67/773504167.db2.gz GIVIWPZWROHDIV-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158486 773707555 /nfs/dbraw/zinc/70/75/55/773707555.db2.gz QRPJCTQMSKPRCU-CVEARBPZSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158486 773707558 /nfs/dbraw/zinc/70/75/58/773707558.db2.gz QRPJCTQMSKPRCU-CVEARBPZSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158486 773707560 /nfs/dbraw/zinc/70/75/60/773707560.db2.gz QRPJCTQMSKPRCU-CVEARBPZSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158486 773707562 /nfs/dbraw/zinc/70/75/62/773707562.db2.gz QRPJCTQMSKPRCU-CVEARBPZSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197825034 773814135 /nfs/dbraw/zinc/81/41/35/773814135.db2.gz WGXGYYXWIDGICR-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197825034 773814143 /nfs/dbraw/zinc/81/41/43/773814143.db2.gz WGXGYYXWIDGICR-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184897 774047432 /nfs/dbraw/zinc/04/74/32/774047432.db2.gz UBKJEOQMJSHJCW-HCBPCCMXSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCCN1C[C@@H](O)[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001199383985 774100876 /nfs/dbraw/zinc/10/08/76/774100876.db2.gz BQGSRVMHUATIDI-IAGOWNOFSA-N 2 1 315.417 0.303 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383340 774115406 /nfs/dbraw/zinc/11/54/06/774115406.db2.gz KPNDRILIFRJPSB-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853585 774143253 /nfs/dbraw/zinc/14/32/53/774143253.db2.gz IMIFRAAPOJYQLO-RBSFLKMASA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200983490 774436948 /nfs/dbraw/zinc/43/69/48/774436948.db2.gz PXYUSOFMQVVJBA-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOCC=C)CC1 ZINC001201093604 774445295 /nfs/dbraw/zinc/44/52/95/774445295.db2.gz FQKKOILKUZBQLY-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOCC=C)CC1 ZINC001201093604 774445298 /nfs/dbraw/zinc/44/52/98/774445298.db2.gz FQKKOILKUZBQLY-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001201268161 774480673 /nfs/dbraw/zinc/48/06/73/774480673.db2.gz VXWGWQGTKUXMNE-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202069069 774597496 /nfs/dbraw/zinc/59/74/96/774597496.db2.gz KZRXWPAGMCAESH-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478570 774821016 /nfs/dbraw/zinc/82/10/16/774821016.db2.gz CWUKGYPCOXTQLB-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245826 775547977 /nfs/dbraw/zinc/54/79/77/775547977.db2.gz GUYPNZPINXKGSP-SJORKVTESA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224245826 775547980 /nfs/dbraw/zinc/54/79/80/775547980.db2.gz GUYPNZPINXKGSP-SJORKVTESA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224245826 775547986 /nfs/dbraw/zinc/54/79/86/775547986.db2.gz GUYPNZPINXKGSP-SJORKVTESA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001098506061 775643404 /nfs/dbraw/zinc/64/34/04/775643404.db2.gz KQRFEZXVXMVNRI-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111275134 775701038 /nfs/dbraw/zinc/70/10/38/775701038.db2.gz PNTLONXEFMSDIY-VQHPVUNQSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111275134 775701044 /nfs/dbraw/zinc/70/10/44/775701044.db2.gz PNTLONXEFMSDIY-VQHPVUNQSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111275134 775701046 /nfs/dbraw/zinc/70/10/46/775701046.db2.gz PNTLONXEFMSDIY-VQHPVUNQSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111275134 775701053 /nfs/dbraw/zinc/70/10/53/775701053.db2.gz PNTLONXEFMSDIY-VQHPVUNQSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111275134 775701056 /nfs/dbraw/zinc/70/10/56/775701056.db2.gz PNTLONXEFMSDIY-VQHPVUNQSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114975135 776084336 /nfs/dbraw/zinc/08/43/36/776084336.db2.gz KZINUELNCGFPQX-VQFNDLOPSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114975135 776084341 /nfs/dbraw/zinc/08/43/41/776084341.db2.gz KZINUELNCGFPQX-VQFNDLOPSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284800 776275364 /nfs/dbraw/zinc/27/53/64/776275364.db2.gz VOSSXKHOGLTGQK-HUUCEWRRSA-N 2 1 322.453 0.093 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041741287 777461883 /nfs/dbraw/zinc/46/18/83/777461883.db2.gz MGDDZZKXSUVDBM-SFHVURJKSA-N 2 1 319.449 0.656 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041741287 777461888 /nfs/dbraw/zinc/46/18/88/777461888.db2.gz MGDDZZKXSUVDBM-SFHVURJKSA-N 2 1 319.449 0.656 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317623197 945123090 /nfs/dbraw/zinc/12/30/90/945123090.db2.gz RAQXLJONNWAKBD-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CC(C)(C)C1 ZINC001278093728 945133331 /nfs/dbraw/zinc/13/33/31/945133331.db2.gz PZSMYNXOGLISTK-HOTGVXAUSA-N 2 1 321.465 0.587 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CC(C)(C)C1 ZINC001278093728 945133336 /nfs/dbraw/zinc/13/33/36/945133336.db2.gz PZSMYNXOGLISTK-HOTGVXAUSA-N 2 1 321.465 0.587 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317840052 945205208 /nfs/dbraw/zinc/20/52/08/945205208.db2.gz NQJXXRWPCHXXFG-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317840052 945205220 /nfs/dbraw/zinc/20/52/20/945205220.db2.gz NQJXXRWPCHXXFG-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317840052 945205228 /nfs/dbraw/zinc/20/52/28/945205228.db2.gz NQJXXRWPCHXXFG-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP N#CCCCN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030892 945209191 /nfs/dbraw/zinc/20/91/91/945209191.db2.gz QQPPWTGUWJVUNG-QGZVFWFLSA-N 2 1 320.437 0.593 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266525694 939151379 /nfs/dbraw/zinc/15/13/79/939151379.db2.gz LNYINDJOYBIINS-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266525694 939151381 /nfs/dbraw/zinc/15/13/81/939151381.db2.gz LNYINDJOYBIINS-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266525694 939151383 /nfs/dbraw/zinc/15/13/83/939151383.db2.gz LNYINDJOYBIINS-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266549904 939160613 /nfs/dbraw/zinc/16/06/13/939160613.db2.gz MWHVPBDYQHJJOJ-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001279531033 939266023 /nfs/dbraw/zinc/26/60/23/939266023.db2.gz YLKKIMQNMZKASB-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCOC(C)C)C1 ZINC001267045827 939322214 /nfs/dbraw/zinc/32/22/14/939322214.db2.gz UQEBKZGHBPDRMB-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCOC(C)C)C1 ZINC001267045827 939322219 /nfs/dbraw/zinc/32/22/19/939322219.db2.gz UQEBKZGHBPDRMB-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC#CCOC)CCC ZINC001267315727 939423261 /nfs/dbraw/zinc/42/32/61/939423261.db2.gz SPYBACYVNUUYNL-KRWDZBQOSA-N 2 1 319.449 0.562 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC#CCOC)CCC ZINC001267315727 939423263 /nfs/dbraw/zinc/42/32/63/939423263.db2.gz SPYBACYVNUUYNL-KRWDZBQOSA-N 2 1 319.449 0.562 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC#CCOC)CCC ZINC001267315727 939423264 /nfs/dbraw/zinc/42/32/64/939423264.db2.gz SPYBACYVNUUYNL-KRWDZBQOSA-N 2 1 319.449 0.562 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC#CCOC)CCC ZINC001267315727 939423265 /nfs/dbraw/zinc/42/32/65/939423265.db2.gz SPYBACYVNUUYNL-KRWDZBQOSA-N 2 1 319.449 0.562 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cncc(F)c1 ZINC001267386777 939445146 /nfs/dbraw/zinc/44/51/46/939445146.db2.gz VEQXWEHYOXXYQM-INIZCTEOSA-N 2 1 318.396 0.866 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cncc(F)c1 ZINC001267386777 939445148 /nfs/dbraw/zinc/44/51/48/939445148.db2.gz VEQXWEHYOXXYQM-INIZCTEOSA-N 2 1 318.396 0.866 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001267607778 939566603 /nfs/dbraw/zinc/56/66/03/939566603.db2.gz UQYSRUHVVJFBDU-KRWDZBQOSA-N 2 1 322.497 0.672 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001279738895 939615318 /nfs/dbraw/zinc/61/53/18/939615318.db2.gz YPZPSBFEWPLPNY-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001267846417 939694035 /nfs/dbraw/zinc/69/40/35/939694035.db2.gz FOCGUVVGRSOSML-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001267846417 939694036 /nfs/dbraw/zinc/69/40/36/939694036.db2.gz FOCGUVVGRSOSML-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001481319776 939746179 /nfs/dbraw/zinc/74/61/79/939746179.db2.gz NKTRXCRUARSBBQ-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001481469360 939884683 /nfs/dbraw/zinc/88/46/83/939884683.db2.gz SNAUUWBKZSGGSI-DLBZAZTESA-N 2 1 320.481 0.426 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001481469360 939884685 /nfs/dbraw/zinc/88/46/85/939884685.db2.gz SNAUUWBKZSGGSI-DLBZAZTESA-N 2 1 320.481 0.426 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001481469360 939884690 /nfs/dbraw/zinc/88/46/90/939884690.db2.gz SNAUUWBKZSGGSI-DLBZAZTESA-N 2 1 320.481 0.426 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001481469360 939884692 /nfs/dbraw/zinc/88/46/92/939884692.db2.gz SNAUUWBKZSGGSI-DLBZAZTESA-N 2 1 320.481 0.426 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001481471142 939885755 /nfs/dbraw/zinc/88/57/55/939885755.db2.gz NSIICSXOWRPGGX-KRWDZBQOSA-N 2 1 320.481 0.428 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001481471142 939885757 /nfs/dbraw/zinc/88/57/57/939885757.db2.gz NSIICSXOWRPGGX-KRWDZBQOSA-N 2 1 320.481 0.428 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481495598 939903076 /nfs/dbraw/zinc/90/30/76/939903076.db2.gz MQYKCEHDBSTVKR-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481495598 939903077 /nfs/dbraw/zinc/90/30/77/939903077.db2.gz MQYKCEHDBSTVKR-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481495598 939903079 /nfs/dbraw/zinc/90/30/79/939903079.db2.gz MQYKCEHDBSTVKR-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)COC)C1 ZINC001481522201 939913839 /nfs/dbraw/zinc/91/38/39/939913839.db2.gz JMYJCURHFMJQGC-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)COC)C1 ZINC001481522201 939913840 /nfs/dbraw/zinc/91/38/40/939913840.db2.gz JMYJCURHFMJQGC-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001268141679 939957400 /nfs/dbraw/zinc/95/74/00/939957400.db2.gz MPXLVNPLRHBJAT-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001481761034 940124923 /nfs/dbraw/zinc/12/49/23/940124923.db2.gz JKBVMFUSYYBXAL-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001481761034 940124925 /nfs/dbraw/zinc/12/49/25/940124925.db2.gz JKBVMFUSYYBXAL-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001481761034 940124926 /nfs/dbraw/zinc/12/49/26/940124926.db2.gz JKBVMFUSYYBXAL-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001481761034 940124928 /nfs/dbraw/zinc/12/49/28/940124928.db2.gz JKBVMFUSYYBXAL-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001496646558 940161557 /nfs/dbraw/zinc/16/15/57/940161557.db2.gz YQVHXAVURBNVBW-HNNXBMFYSA-N 2 1 306.410 0.572 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001268553817 940231764 /nfs/dbraw/zinc/23/17/64/940231764.db2.gz YIBZEPSXVCNAHQ-MJSXRHKHSA-N 2 1 307.438 0.773 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)COCCC ZINC001246001257 945311170 /nfs/dbraw/zinc/31/11/70/945311170.db2.gz OPNUMWVJGGLCKT-KBPBESRZSA-N 2 1 302.415 0.590 20 30 DCEDMP C=CCN1CC2(C[NH+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001273143562 945320485 /nfs/dbraw/zinc/32/04/85/945320485.db2.gz IFVFVQBZZKRANH-UHFFFAOYSA-N 2 1 307.438 0.818 20 30 DCEDMP COCC#CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001269278041 940670725 /nfs/dbraw/zinc/67/07/25/940670725.db2.gz BHLQSOIHHUPZHY-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001284468856 940674143 /nfs/dbraw/zinc/67/41/43/940674143.db2.gz ORGIJRFGYVCVRG-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001284468856 940674144 /nfs/dbraw/zinc/67/41/44/940674144.db2.gz ORGIJRFGYVCVRG-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001482404521 941211663 /nfs/dbraw/zinc/21/16/63/941211663.db2.gz OSDUCXZFMXHIGS-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001482404521 941211664 /nfs/dbraw/zinc/21/16/64/941211664.db2.gz OSDUCXZFMXHIGS-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(C)C)CCOCC1 ZINC001271044012 941248058 /nfs/dbraw/zinc/24/80/58/941248058.db2.gz KBYHXAYCUMSTJB-INIZCTEOSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(C)C)CCOCC1 ZINC001271044012 941248059 /nfs/dbraw/zinc/24/80/59/941248059.db2.gz KBYHXAYCUMSTJB-INIZCTEOSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001271867626 941469877 /nfs/dbraw/zinc/46/98/77/941469877.db2.gz YHABXRPKGOJGKI-IYBDPMFKSA-N 2 1 318.421 0.784 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001271867626 941469878 /nfs/dbraw/zinc/46/98/78/941469878.db2.gz YHABXRPKGOJGKI-IYBDPMFKSA-N 2 1 318.421 0.784 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272034316 941537757 /nfs/dbraw/zinc/53/77/57/941537757.db2.gz NUTICHVGLCNYBF-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482661143 941612860 /nfs/dbraw/zinc/61/28/60/941612860.db2.gz CMWGAYDCACAVBB-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001496822388 941836377 /nfs/dbraw/zinc/83/63/77/941836377.db2.gz VWKNAARWNKQKCE-GJZGRUSLSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001496822388 941836384 /nfs/dbraw/zinc/83/63/84/941836384.db2.gz VWKNAARWNKQKCE-GJZGRUSLSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591115 942007556 /nfs/dbraw/zinc/00/75/56/942007556.db2.gz LOFBDVGHFZSPKR-CABCVRRESA-N 2 1 300.362 0.604 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591115 942007559 /nfs/dbraw/zinc/00/75/59/942007559.db2.gz LOFBDVGHFZSPKR-CABCVRRESA-N 2 1 300.362 0.604 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483466112 942372855 /nfs/dbraw/zinc/37/28/55/942372855.db2.gz YLTCJQKOFUOAHV-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CCC(C)C)C2)CC1 ZINC001484312040 943314234 /nfs/dbraw/zinc/31/42/34/943314234.db2.gz RUICTOJUUHBVKP-UHFFFAOYSA-N 2 1 321.465 0.541 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001484634045 943483468 /nfs/dbraw/zinc/48/34/68/943483468.db2.gz DLLJGDXFTJDUGC-ZIAGYGMSSA-N 2 1 322.453 0.257 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001490921363 943677838 /nfs/dbraw/zinc/67/78/38/943677838.db2.gz BLLVJFBCHNUOOO-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001491046793 943723827 /nfs/dbraw/zinc/72/38/27/943723827.db2.gz BLLVJFBCHNUOOO-ZACQAIPSSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001485357769 943890593 /nfs/dbraw/zinc/89/05/93/943890593.db2.gz LSJRYKUDSKLTAI-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001485357769 943890597 /nfs/dbraw/zinc/89/05/97/943890597.db2.gz LSJRYKUDSKLTAI-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCC[C@@H](C)N1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001485400379 943919746 /nfs/dbraw/zinc/91/97/46/943919746.db2.gz DVCCJODLJJVROO-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001485400379 943919755 /nfs/dbraw/zinc/91/97/55/943919755.db2.gz DVCCJODLJJVROO-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580287 944013212 /nfs/dbraw/zinc/01/32/12/944013212.db2.gz FPLAHHYWGXSSBT-CABCVRRESA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580287 944013218 /nfs/dbraw/zinc/01/32/18/944013218.db2.gz FPLAHHYWGXSSBT-CABCVRRESA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580287 944013224 /nfs/dbraw/zinc/01/32/24/944013224.db2.gz FPLAHHYWGXSSBT-CABCVRRESA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580287 944013229 /nfs/dbraw/zinc/01/32/29/944013229.db2.gz FPLAHHYWGXSSBT-CABCVRRESA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001485643808 944060641 /nfs/dbraw/zinc/06/06/41/944060641.db2.gz MPWNMYDQGMZQNN-CABCVRRESA-N 2 1 318.421 0.845 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001485773208 944131059 /nfs/dbraw/zinc/13/10/59/944131059.db2.gz REHHNSLBIKDGJA-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001485773208 944131060 /nfs/dbraw/zinc/13/10/60/944131060.db2.gz REHHNSLBIKDGJA-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001485773208 944131062 /nfs/dbraw/zinc/13/10/62/944131062.db2.gz REHHNSLBIKDGJA-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001272772025 944220985 /nfs/dbraw/zinc/22/09/85/944220985.db2.gz CHGPOWVLDWNCJO-HZPDHXFCSA-N 2 1 309.454 0.993 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001485883422 944379877 /nfs/dbraw/zinc/37/98/77/944379877.db2.gz SQXRVEMNYNHHGE-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001316946050 944669445 /nfs/dbraw/zinc/66/94/45/944669445.db2.gz WVNOMVTVTYNTOE-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001316946050 944669447 /nfs/dbraw/zinc/66/94/47/944669447.db2.gz WVNOMVTVTYNTOE-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316946050 944669454 /nfs/dbraw/zinc/66/94/54/944669454.db2.gz WVNOMVTVTYNTOE-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001316946050 944669460 /nfs/dbraw/zinc/66/94/60/944669460.db2.gz WVNOMVTVTYNTOE-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001277360023 944784084 /nfs/dbraw/zinc/78/40/84/944784084.db2.gz MVTMYZSZXNYCHG-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001277360023 944784094 /nfs/dbraw/zinc/78/40/94/944784094.db2.gz MVTMYZSZXNYCHG-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001277360023 944784095 /nfs/dbraw/zinc/78/40/95/944784095.db2.gz MVTMYZSZXNYCHG-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277360023 944784101 /nfs/dbraw/zinc/78/41/01/944784101.db2.gz MVTMYZSZXNYCHG-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317096632 944791154 /nfs/dbraw/zinc/79/11/54/944791154.db2.gz IEKUULVPBWQAAR-RBSFLKMASA-N 2 1 311.426 0.147 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317096632 944791165 /nfs/dbraw/zinc/79/11/65/944791165.db2.gz IEKUULVPBWQAAR-RBSFLKMASA-N 2 1 311.426 0.147 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001486335665 944795542 /nfs/dbraw/zinc/79/55/42/944795542.db2.gz UBNAGDJNEBFUBA-OAHLLOKOSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001317446070 944976022 /nfs/dbraw/zinc/97/60/22/944976022.db2.gz SQTVRYDSQBLTJE-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001317446070 944976027 /nfs/dbraw/zinc/97/60/27/944976027.db2.gz SQTVRYDSQBLTJE-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001317446070 944976032 /nfs/dbraw/zinc/97/60/32/944976032.db2.gz SQTVRYDSQBLTJE-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001317446070 944976037 /nfs/dbraw/zinc/97/60/37/944976037.db2.gz SQTVRYDSQBLTJE-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001277825571 944996519 /nfs/dbraw/zinc/99/65/19/944996519.db2.gz DICILOGZOAFENV-WFASDCNBSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001277825571 944996527 /nfs/dbraw/zinc/99/65/27/944996527.db2.gz DICILOGZOAFENV-WFASDCNBSA-N 2 1 303.410 0.860 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001246302980 945380715 /nfs/dbraw/zinc/38/07/15/945380715.db2.gz GAAHEUOFMQWGMW-ZFWWWQNUSA-N 2 1 323.437 0.956 20 30 DCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246691327 945462694 /nfs/dbraw/zinc/46/26/94/945462694.db2.gz FIPWNAZLCOPLEK-GOSISDBHSA-N 2 1 320.481 0.922 20 30 DCEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246768492 945485630 /nfs/dbraw/zinc/48/56/30/945485630.db2.gz OSUACTBFHNRBGY-RYRKJORJSA-N 2 1 321.465 0.907 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001320068494 945733036 /nfs/dbraw/zinc/73/30/36/945733036.db2.gz JKUYVHROJQDLMH-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001320068494 945733042 /nfs/dbraw/zinc/73/30/42/945733042.db2.gz JKUYVHROJQDLMH-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320068494 945733050 /nfs/dbraw/zinc/73/30/50/945733050.db2.gz JKUYVHROJQDLMH-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320068494 945733058 /nfs/dbraw/zinc/73/30/58/945733058.db2.gz JKUYVHROJQDLMH-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278652911 945876576 /nfs/dbraw/zinc/87/65/76/945876576.db2.gz GRXJJZHZJNDDKK-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278652911 945876591 /nfs/dbraw/zinc/87/65/91/945876591.db2.gz GRXJJZHZJNDDKK-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278652911 945876609 /nfs/dbraw/zinc/87/66/09/945876609.db2.gz GRXJJZHZJNDDKK-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C[C@](C)(O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001252550660 945961887 /nfs/dbraw/zinc/96/18/87/945961887.db2.gz NNWGRPGRHNTSNJ-UGUYLWEFSA-N 2 1 305.426 0.610 20 30 DCEDMP C=C[C@](C)(O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001252550660 945961894 /nfs/dbraw/zinc/96/18/94/945961894.db2.gz NNWGRPGRHNTSNJ-UGUYLWEFSA-N 2 1 305.426 0.610 20 30 DCEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252550660 945961900 /nfs/dbraw/zinc/96/19/00/945961900.db2.gz NNWGRPGRHNTSNJ-UGUYLWEFSA-N 2 1 305.426 0.610 20 30 DCEDMP C=C[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252550660 945961906 /nfs/dbraw/zinc/96/19/06/945961906.db2.gz NNWGRPGRHNTSNJ-UGUYLWEFSA-N 2 1 305.426 0.610 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001278690132 946047654 /nfs/dbraw/zinc/04/76/54/946047654.db2.gz OMFDFQIGGAFIAJ-HNNXBMFYSA-N 2 1 318.421 0.668 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278801569 946420591 /nfs/dbraw/zinc/42/05/91/946420591.db2.gz YGCVBOSLXUAJTG-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001278882420 946542520 /nfs/dbraw/zinc/54/25/20/946542520.db2.gz GYVHGFMKQPEMDW-HNNXBMFYSA-N 2 1 308.426 0.909 20 30 DCEDMP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001278882420 946542530 /nfs/dbraw/zinc/54/25/30/946542530.db2.gz GYVHGFMKQPEMDW-HNNXBMFYSA-N 2 1 308.426 0.909 20 30 DCEDMP C#CC[N@H+](C)CCN(C(=O)c1ccn(CC[NH+](C)C)n1)C(C)C ZINC001278907790 946581053 /nfs/dbraw/zinc/58/10/53/946581053.db2.gz IZIOAJAKFKBEMP-UHFFFAOYSA-N 2 1 319.453 0.860 20 30 DCEDMP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001322156551 946592102 /nfs/dbraw/zinc/59/21/02/946592102.db2.gz LCMKSGWWYVRWFH-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001322156551 946592109 /nfs/dbraw/zinc/59/21/09/946592109.db2.gz LCMKSGWWYVRWFH-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001322156551 946592114 /nfs/dbraw/zinc/59/21/14/946592114.db2.gz LCMKSGWWYVRWFH-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001322156551 946592118 /nfs/dbraw/zinc/59/21/18/946592118.db2.gz LCMKSGWWYVRWFH-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CC(=O)NCCC ZINC001322178162 946602771 /nfs/dbraw/zinc/60/27/71/946602771.db2.gz WDFPEZVLHNQRNW-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CC(=O)NCCC ZINC001322178162 946602773 /nfs/dbraw/zinc/60/27/73/946602773.db2.gz WDFPEZVLHNQRNW-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001323541563 947120178 /nfs/dbraw/zinc/12/01/78/947120178.db2.gz JNBXDJUSKRVDLR-KGLIPLIRSA-N 2 1 322.453 0.257 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC#CCOC)C2 ZINC001325351734 947765228 /nfs/dbraw/zinc/76/52/28/947765228.db2.gz NSFAAZJYYFZECU-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC#CCOC)C2 ZINC001325351734 947765232 /nfs/dbraw/zinc/76/52/32/947765232.db2.gz NSFAAZJYYFZECU-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC#CCOC)C2 ZINC001325351734 947765235 /nfs/dbraw/zinc/76/52/35/947765235.db2.gz NSFAAZJYYFZECU-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001327576404 948557368 /nfs/dbraw/zinc/55/73/68/948557368.db2.gz GBVNAHPKPDKRLM-SJLPKXTDSA-N 2 1 321.465 0.683 20 30 DCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001273885871 948656058 /nfs/dbraw/zinc/65/60/58/948656058.db2.gz QHEABIMRXSULIJ-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(=C)C)C1 ZINC001273883579 948656271 /nfs/dbraw/zinc/65/62/71/948656271.db2.gz COQDTQLANCZNKO-FUHWJXTLSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(=C)C)C1 ZINC001273883579 948656277 /nfs/dbraw/zinc/65/62/77/948656277.db2.gz COQDTQLANCZNKO-FUHWJXTLSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCO)C1 ZINC001264118866 948896903 /nfs/dbraw/zinc/89/69/03/948896903.db2.gz PIXCQWNRPJYQEJ-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCO)C1 ZINC001264118866 948896912 /nfs/dbraw/zinc/89/69/12/948896912.db2.gz PIXCQWNRPJYQEJ-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001264486712 948982705 /nfs/dbraw/zinc/98/27/05/948982705.db2.gz CAKZIVQYGOFZKH-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001264657052 949055355 /nfs/dbraw/zinc/05/53/55/949055355.db2.gz KUFGSHUCOGCYAW-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001264657052 949055372 /nfs/dbraw/zinc/05/53/72/949055372.db2.gz KUFGSHUCOGCYAW-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001264657052 949055392 /nfs/dbraw/zinc/05/53/92/949055392.db2.gz KUFGSHUCOGCYAW-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CCOC)CC1 ZINC001328799270 949101975 /nfs/dbraw/zinc/10/19/75/949101975.db2.gz XFFNXLWLIQAADL-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001265197239 949431333 /nfs/dbraw/zinc/43/13/33/949431333.db2.gz JGGYZNNFZDOVHZ-UHFFFAOYSA-N 2 1 310.442 0.163 20 30 DCEDMP CC#CCN1CCO[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001330159373 950155578 /nfs/dbraw/zinc/15/55/78/950155578.db2.gz FXUXQOFKDRACOG-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001490197801 950418689 /nfs/dbraw/zinc/41/86/89/950418689.db2.gz YYTWIRGMWYSDBG-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001490197801 950418697 /nfs/dbraw/zinc/41/86/97/950418697.db2.gz YYTWIRGMWYSDBG-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001490197801 950418712 /nfs/dbraw/zinc/41/87/12/950418712.db2.gz YYTWIRGMWYSDBG-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001490197798 950420098 /nfs/dbraw/zinc/42/00/98/950420098.db2.gz YYTWIRGMWYSDBG-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001490197798 950420114 /nfs/dbraw/zinc/42/01/14/950420114.db2.gz YYTWIRGMWYSDBG-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001490197798 950420123 /nfs/dbraw/zinc/42/01/23/950420123.db2.gz YYTWIRGMWYSDBG-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490558535 950870691 /nfs/dbraw/zinc/87/06/91/950870691.db2.gz IAHNXNCONSSYEG-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490558535 950870707 /nfs/dbraw/zinc/87/07/07/950870707.db2.gz IAHNXNCONSSYEG-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001280584251 950968460 /nfs/dbraw/zinc/96/84/60/950968460.db2.gz RMHAAPZDVDYKDQ-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001280619068 950991453 /nfs/dbraw/zinc/99/14/53/950991453.db2.gz GNLSVGQPHPIFOT-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001280813597 951103883 /nfs/dbraw/zinc/10/38/83/951103883.db2.gz FGBLGMIHPDRMIM-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001280813597 951103896 /nfs/dbraw/zinc/10/38/96/951103896.db2.gz FGBLGMIHPDRMIM-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001280813597 951103907 /nfs/dbraw/zinc/10/39/07/951103907.db2.gz FGBLGMIHPDRMIM-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001332050467 951452840 /nfs/dbraw/zinc/45/28/40/951452840.db2.gz PJXVKABHYUCWIB-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332199440 951518603 /nfs/dbraw/zinc/51/86/03/951518603.db2.gz PGTNPMPASXDONZ-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332199440 951518608 /nfs/dbraw/zinc/51/86/08/951518608.db2.gz PGTNPMPASXDONZ-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320000553 951593199 /nfs/dbraw/zinc/59/31/99/951593199.db2.gz UFFHIUWHGPUQAP-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001320000553 951593204 /nfs/dbraw/zinc/59/32/04/951593204.db2.gz UFFHIUWHGPUQAP-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001320000553 951593210 /nfs/dbraw/zinc/59/32/10/951593210.db2.gz UFFHIUWHGPUQAP-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320000553 951593223 /nfs/dbraw/zinc/59/32/23/951593223.db2.gz UFFHIUWHGPUQAP-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320000553 951593233 /nfs/dbraw/zinc/59/32/33/951593233.db2.gz UFFHIUWHGPUQAP-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001281676987 951595617 /nfs/dbraw/zinc/59/56/17/951595617.db2.gz SDKMGSPVSDRYRX-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CCO)CC1 ZINC001274950879 951905683 /nfs/dbraw/zinc/90/56/83/951905683.db2.gz WYZUIHGFLPNTID-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CCO)CC1 ZINC001274950879 951905689 /nfs/dbraw/zinc/90/56/89/951905689.db2.gz WYZUIHGFLPNTID-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CCO)CC1 ZINC001274950879 951905701 /nfs/dbraw/zinc/90/57/01/951905701.db2.gz WYZUIHGFLPNTID-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CCO)CC1 ZINC001274950879 951905721 /nfs/dbraw/zinc/90/57/21/951905721.db2.gz WYZUIHGFLPNTID-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC#CCOC)CC[N@H+]1C ZINC001275835425 952486029 /nfs/dbraw/zinc/48/60/29/952486029.db2.gz MJSBNRIZXNKYIM-HRCADAONSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC#CCOC)CC[NH+]1C ZINC001275835425 952486034 /nfs/dbraw/zinc/48/60/34/952486034.db2.gz MJSBNRIZXNKYIM-HRCADAONSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC#CCOC)CC[NH+]1C ZINC001275835425 952486037 /nfs/dbraw/zinc/48/60/37/952486037.db2.gz MJSBNRIZXNKYIM-HRCADAONSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275978081 952581366 /nfs/dbraw/zinc/58/13/66/952581366.db2.gz YELPTENLTPHIQB-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001275978081 952581367 /nfs/dbraw/zinc/58/13/67/952581367.db2.gz YELPTENLTPHIQB-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001275978081 952581368 /nfs/dbraw/zinc/58/13/68/952581368.db2.gz YELPTENLTPHIQB-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001275978081 952581370 /nfs/dbraw/zinc/58/13/70/952581370.db2.gz YELPTENLTPHIQB-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001336098961 952644271 /nfs/dbraw/zinc/64/42/71/952644271.db2.gz DFSUNEMVDSDQOT-OAHLLOKOSA-N 2 1 322.453 0.481 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001281806417 953371614 /nfs/dbraw/zinc/37/16/14/953371614.db2.gz JTZYPMNTTZMTJP-UHFFFAOYSA-N 2 1 304.394 0.158 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001282872696 953710660 /nfs/dbraw/zinc/71/06/60/953710660.db2.gz XWBKMFKOUZQXGY-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001282872696 953710664 /nfs/dbraw/zinc/71/06/64/953710664.db2.gz XWBKMFKOUZQXGY-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001282872696 953710674 /nfs/dbraw/zinc/71/06/74/953710674.db2.gz XWBKMFKOUZQXGY-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001346670766 953938633 /nfs/dbraw/zinc/93/86/33/953938633.db2.gz CUVVPCYIEVYXOY-VNQPRFMTSA-N 2 1 304.438 0.723 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001284516580 955151546 /nfs/dbraw/zinc/15/15/46/955151546.db2.gz MEBCNJDTWWDHKA-INIZCTEOSA-N 2 1 309.454 0.493 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001376871005 959024452 /nfs/dbraw/zinc/02/44/52/959024452.db2.gz ZEHCFWKSVUMAIV-CHWSQXEVSA-N 2 1 301.818 0.508 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001316707968 960249909 /nfs/dbraw/zinc/24/99/09/960249909.db2.gz HAWVMSFRTPAXOI-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001316707968 960249914 /nfs/dbraw/zinc/24/99/14/960249914.db2.gz HAWVMSFRTPAXOI-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001379460585 962974263 /nfs/dbraw/zinc/97/42/63/962974263.db2.gz GNPYVSTXJKBLHB-SMDDNHRTSA-N 2 1 322.434 0.281 20 30 DCEDMP C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001381617189 966584380 /nfs/dbraw/zinc/58/43/80/966584380.db2.gz KCHZDAQXLWTYRY-STQMWFEESA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001381617189 966584383 /nfs/dbraw/zinc/58/43/83/966584383.db2.gz KCHZDAQXLWTYRY-STQMWFEESA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001394609527 993905190 /nfs/dbraw/zinc/90/51/90/993905190.db2.gz RZRLWOAYNYCAFQ-KGLIPLIRSA-N 2 1 317.861 0.926 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001394609527 993905199 /nfs/dbraw/zinc/90/51/99/993905199.db2.gz RZRLWOAYNYCAFQ-KGLIPLIRSA-N 2 1 317.861 0.926 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001502835904 1016094242 /nfs/dbraw/zinc/09/42/42/1016094242.db2.gz DLGGBKKDCPOJSD-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001507656803 1016512458 /nfs/dbraw/zinc/51/24/58/1016512458.db2.gz MZSKIGPHXQKTLN-ZDUSSCGKSA-N 2 1 322.409 0.124 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001507656803 1016512464 /nfs/dbraw/zinc/51/24/64/1016512464.db2.gz MZSKIGPHXQKTLN-ZDUSSCGKSA-N 2 1 322.409 0.124 20 30 DCEDMP C=C(Cl)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001403665282 1002306112 /nfs/dbraw/zinc/30/61/12/1002306112.db2.gz BYFJYXFLLLXLQR-CHWSQXEVSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001403665282 1002306128 /nfs/dbraw/zinc/30/61/28/1002306128.db2.gz BYFJYXFLLLXLQR-CHWSQXEVSA-N 2 1 303.834 0.680 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001505848205 1016609610 /nfs/dbraw/zinc/60/96/10/1016609610.db2.gz MMRMUFGSHNGPME-CQSZACIVSA-N 2 1 324.469 0.315 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001423794654 1011561270 /nfs/dbraw/zinc/56/12/70/1011561270.db2.gz JDGHRJHFQKGTCE-CQSZACIVSA-N 2 1 303.834 0.634 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001423794654 1011561279 /nfs/dbraw/zinc/56/12/79/1011561279.db2.gz JDGHRJHFQKGTCE-CQSZACIVSA-N 2 1 303.834 0.634 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001423794654 1011561285 /nfs/dbraw/zinc/56/12/85/1011561285.db2.gz JDGHRJHFQKGTCE-CQSZACIVSA-N 2 1 303.834 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001423794654 1011561295 /nfs/dbraw/zinc/56/12/95/1011561295.db2.gz JDGHRJHFQKGTCE-CQSZACIVSA-N 2 1 303.834 0.634 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC#CCOC ZINC001479645933 1017620564 /nfs/dbraw/zinc/62/05/64/1017620564.db2.gz WKLQNCNSBFOZOR-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494550558 1017776849 /nfs/dbraw/zinc/77/68/49/1017776849.db2.gz KYVOEYBGSYYESS-VNHYZAJKSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494550558 1017776859 /nfs/dbraw/zinc/77/68/59/1017776859.db2.gz KYVOEYBGSYYESS-VNHYZAJKSA-N 2 1 322.453 0.065 20 30 DCEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001480046965 1018157074 /nfs/dbraw/zinc/15/70/74/1018157074.db2.gz NFXXVRMINLIXJS-GDBMZVCRSA-N 2 1 300.406 0.872 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001497578858 1018244838 /nfs/dbraw/zinc/24/48/38/1018244838.db2.gz KUIJFZSNYXIAGR-APHBUQMISA-N 2 1 307.438 0.771 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001480173792 1018283042 /nfs/dbraw/zinc/28/30/42/1018283042.db2.gz NDQMKKYTPJQMJM-KKUMJFAQSA-N 2 1 322.453 0.400 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001500279985 1018373310 /nfs/dbraw/zinc/37/33/10/1018373310.db2.gz JOZFSGUMBDOBQE-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001500279985 1018373320 /nfs/dbraw/zinc/37/33/20/1018373320.db2.gz JOZFSGUMBDOBQE-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001500279985 1018373328 /nfs/dbraw/zinc/37/33/28/1018373328.db2.gz JOZFSGUMBDOBQE-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001480400568 1018500628 /nfs/dbraw/zinc/50/06/28/1018500628.db2.gz PMHQECSFLMKPIO-UYSNPLJNSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001495479976 1018532144 /nfs/dbraw/zinc/53/21/44/1018532144.db2.gz RHUMCSRGWRDCTN-WKILWMFISA-N 2 1 318.421 0.858 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001500718717 1018607733 /nfs/dbraw/zinc/60/77/33/1018607733.db2.gz XLSNIRUDGRWQQJ-AWEZNQCLSA-N 2 1 303.834 0.634 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001500718717 1018607725 /nfs/dbraw/zinc/60/77/25/1018607725.db2.gz XLSNIRUDGRWQQJ-AWEZNQCLSA-N 2 1 303.834 0.634 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001501307532 1019031032 /nfs/dbraw/zinc/03/10/32/1019031032.db2.gz JSRVDNVGALNPAJ-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001501307532 1019031049 /nfs/dbraw/zinc/03/10/49/1019031049.db2.gz JSRVDNVGALNPAJ-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001501307532 1019031062 /nfs/dbraw/zinc/03/10/62/1019031062.db2.gz JSRVDNVGALNPAJ-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001501307532 1019031080 /nfs/dbraw/zinc/03/10/80/1019031080.db2.gz JSRVDNVGALNPAJ-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001501331557 1019060243 /nfs/dbraw/zinc/06/02/43/1019060243.db2.gz KSUGJRBYXIXISM-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001501331557 1019060257 /nfs/dbraw/zinc/06/02/57/1019060257.db2.gz KSUGJRBYXIXISM-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001501331557 1019060274 /nfs/dbraw/zinc/06/02/74/1019060274.db2.gz KSUGJRBYXIXISM-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001501359614 1019091443 /nfs/dbraw/zinc/09/14/43/1019091443.db2.gz GFKJYORTIJQEEL-KRWDZBQOSA-N 2 1 307.438 0.601 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498457829 1019139060 /nfs/dbraw/zinc/13/90/60/1019139060.db2.gz OLWCKROAMMYXFS-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498457829 1019139065 /nfs/dbraw/zinc/13/90/65/1019139065.db2.gz OLWCKROAMMYXFS-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001498499052 1019170390 /nfs/dbraw/zinc/17/03/90/1019170390.db2.gz WRJAOTOQBAUPNY-HZPDHXFCSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001502370077 1019846320 /nfs/dbraw/zinc/84/63/20/1019846320.db2.gz NYNJVAIHLBXFHL-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001502370077 1019846333 /nfs/dbraw/zinc/84/63/33/1019846333.db2.gz NYNJVAIHLBXFHL-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001502370077 1019846346 /nfs/dbraw/zinc/84/63/46/1019846346.db2.gz NYNJVAIHLBXFHL-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001502370077 1019846364 /nfs/dbraw/zinc/84/63/64/1019846364.db2.gz NYNJVAIHLBXFHL-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP CN(C)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000264086931 529778810 /nfs/dbraw/zinc/77/88/10/529778810.db2.gz JTDPNTTYOBTECC-UHFFFAOYSA-N 2 1 320.441 0.274 20 30 DCEDMP CNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267457939 530039444 /nfs/dbraw/zinc/03/94/44/530039444.db2.gz UEYWLERLDOXBFY-CQSZACIVSA-N 2 1 303.410 0.418 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)c1cccc(F)c1 ZINC000264068377 238188229 /nfs/dbraw/zinc/18/82/29/238188229.db2.gz CGBLYPFROAERTQ-OAHLLOKOSA-N 2 1 324.400 0.486 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cccc(O)c1 ZINC000264131743 238191851 /nfs/dbraw/zinc/19/18/51/238191851.db2.gz YBBTWWXKJPXDJB-UHFFFAOYSA-N 2 1 306.410 0.561 20 30 DCEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1nccs1 ZINC000273466295 238290488 /nfs/dbraw/zinc/29/04/88/238290488.db2.gz IMPXJCVLQZKCLT-GFCCVEGCSA-N 2 1 311.455 0.873 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330512 240021506 /nfs/dbraw/zinc/02/15/06/240021506.db2.gz PZMCXCFMZJOWDF-IHRRRGAJSA-N 2 1 308.426 0.708 20 30 DCEDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424179659 240255060 /nfs/dbraw/zinc/25/50/60/240255060.db2.gz ZJHLXGUDXCZHMS-CQSZACIVSA-N 2 1 310.442 0.824 20 30 DCEDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424179658 240256953 /nfs/dbraw/zinc/25/69/53/240256953.db2.gz ZJHLXGUDXCZHMS-AWEZNQCLSA-N 2 1 310.442 0.824 20 30 DCEDMP N#CC[C@]1(O)CC[N@@H+](CCCCC[NH+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150791 397108187 /nfs/dbraw/zinc/10/81/87/397108187.db2.gz GPLXUEXPUVMDKW-CALCHBBNSA-N 2 1 320.437 0.858 20 30 DCEDMP N#CC[C@]1(O)CC[NH+](CCCCC[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150791 397108192 /nfs/dbraw/zinc/10/81/92/397108192.db2.gz GPLXUEXPUVMDKW-CALCHBBNSA-N 2 1 320.437 0.858 20 30 DCEDMP N#CC[C@]1(O)CC[NH+](CCCCC[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150791 397108197 /nfs/dbraw/zinc/10/81/97/397108197.db2.gz GPLXUEXPUVMDKW-CALCHBBNSA-N 2 1 320.437 0.858 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000294080041 415867080 /nfs/dbraw/zinc/86/70/80/415867080.db2.gz WOBANOLZKCJDJE-UHFFFAOYSA-N 2 1 304.394 0.955 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000294080041 415867084 /nfs/dbraw/zinc/86/70/84/415867084.db2.gz WOBANOLZKCJDJE-UHFFFAOYSA-N 2 1 304.394 0.955 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330510 416418766 /nfs/dbraw/zinc/41/87/66/416418766.db2.gz PZMCXCFMZJOWDF-BFHYXJOUSA-N 2 1 308.426 0.708 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000491485715 416601651 /nfs/dbraw/zinc/60/16/51/416601651.db2.gz QOFOOYNSVORSJK-GASCZTMLSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000491485715 416601654 /nfs/dbraw/zinc/60/16/54/416601654.db2.gz QOFOOYNSVORSJK-GASCZTMLSA-N 2 1 307.438 0.245 20 30 DCEDMP C=CCOc1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000564668749 416892561 /nfs/dbraw/zinc/89/25/61/416892561.db2.gz XAVYFMSROJSYSD-GDBMZVCRSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000564668749 416892571 /nfs/dbraw/zinc/89/25/71/416892571.db2.gz XAVYFMSROJSYSD-GDBMZVCRSA-N 2 1 301.390 0.995 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000261946121 278167957 /nfs/dbraw/zinc/16/79/57/278167957.db2.gz FZZFDYSISTUKRW-OFQRWUPVSA-N 3 1 307.486 0.976 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261946121 278167959 /nfs/dbraw/zinc/16/79/59/278167959.db2.gz FZZFDYSISTUKRW-OFQRWUPVSA-N 3 1 307.486 0.976 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261946121 278167960 /nfs/dbraw/zinc/16/79/60/278167960.db2.gz FZZFDYSISTUKRW-OFQRWUPVSA-N 3 1 307.486 0.976 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261946121 278167961 /nfs/dbraw/zinc/16/79/61/278167961.db2.gz FZZFDYSISTUKRW-OFQRWUPVSA-N 2 1 307.486 0.976 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261946121 278167962 /nfs/dbraw/zinc/16/79/62/278167962.db2.gz FZZFDYSISTUKRW-OFQRWUPVSA-N 2 1 307.486 0.976 20 30 DCEDMP CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000367494798 289392002 /nfs/dbraw/zinc/39/20/02/289392002.db2.gz HPQKQTLXIONAFA-ARFHVFGLSA-N 2 1 322.453 0.932 20 30 DCEDMP CN(C)C(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000170907026 332900008 /nfs/dbraw/zinc/90/00/08/332900008.db2.gz ZXAVRHFTRORAMS-UHFFFAOYSA-N 2 1 313.446 0.806 20 30 DCEDMP C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261995997 526368302 /nfs/dbraw/zinc/36/83/02/526368302.db2.gz SKZDERQQXQVDES-UKRRQHHQSA-N 2 1 304.442 0.839 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000366851488 526511205 /nfs/dbraw/zinc/51/12/05/526511205.db2.gz NKHFALHADOBSDX-SJORKVTESA-N 2 1 320.481 0.874 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)n(C)c1=O ZINC000262804205 529073736 /nfs/dbraw/zinc/07/37/36/529073736.db2.gz RRZXNJMFMVPGFN-CQSZACIVSA-N 2 1 305.426 0.582 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccco1 ZINC000264150879 529100368 /nfs/dbraw/zinc/10/03/68/529100368.db2.gz ZBQWDGLLRHCXFG-LBPRGKRZSA-N 2 1 307.398 0.398 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000981447364 661154595 /nfs/dbraw/zinc/15/45/95/661154595.db2.gz VBEBEBMKIRRICJ-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645339 661188734 /nfs/dbraw/zinc/18/87/34/661188734.db2.gz APJHARVLGWFPHM-UPTPFMHGSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645339 661188736 /nfs/dbraw/zinc/18/87/36/661188736.db2.gz APJHARVLGWFPHM-UPTPFMHGSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645339 661188738 /nfs/dbraw/zinc/18/87/38/661188738.db2.gz APJHARVLGWFPHM-UPTPFMHGSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645339 661188740 /nfs/dbraw/zinc/18/87/40/661188740.db2.gz APJHARVLGWFPHM-UPTPFMHGSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981785270 661216744 /nfs/dbraw/zinc/21/67/44/661216744.db2.gz ZKHVPIGQVRSXRJ-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981785270 661216747 /nfs/dbraw/zinc/21/67/47/661216747.db2.gz ZKHVPIGQVRSXRJ-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981785270 661216749 /nfs/dbraw/zinc/21/67/49/661216749.db2.gz ZKHVPIGQVRSXRJ-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001023448944 657875769 /nfs/dbraw/zinc/87/57/69/657875769.db2.gz BVYCIYAFGNAYOD-GJZGRUSLSA-N 2 1 300.406 0.907 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939314798 665548786 /nfs/dbraw/zinc/54/87/86/665548786.db2.gz NDEJTLPBALGIKL-TZMCWYRMSA-N 2 1 315.845 0.898 20 30 DCEDMP CC#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638894 658140528 /nfs/dbraw/zinc/14/05/28/658140528.db2.gz OPSZIUYEHOQIKQ-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001023762123 658217929 /nfs/dbraw/zinc/21/79/29/658217929.db2.gz ROLVVMWGXJWVRY-CVEARBPZSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179880 658411144 /nfs/dbraw/zinc/41/11/44/658411144.db2.gz RDMCIUSENHKVHF-ZBFHGGJFSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179880 658411148 /nfs/dbraw/zinc/41/11/48/658411148.db2.gz RDMCIUSENHKVHF-ZBFHGGJFSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536819 665792149 /nfs/dbraw/zinc/79/21/49/665792149.db2.gz ZPXJQRLCSVQUDL-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536819 665792151 /nfs/dbraw/zinc/79/21/51/665792151.db2.gz ZPXJQRLCSVQUDL-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536819 665792153 /nfs/dbraw/zinc/79/21/53/665792153.db2.gz ZPXJQRLCSVQUDL-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536819 665792155 /nfs/dbraw/zinc/79/21/55/665792155.db2.gz ZPXJQRLCSVQUDL-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536819 665792156 /nfs/dbraw/zinc/79/21/56/665792156.db2.gz ZPXJQRLCSVQUDL-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028757787 661808775 /nfs/dbraw/zinc/80/87/75/661808775.db2.gz JFFXJTKQPGGEQP-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757787 661808777 /nfs/dbraw/zinc/80/87/77/661808777.db2.gz JFFXJTKQPGGEQP-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757787 661808780 /nfs/dbraw/zinc/80/87/80/661808780.db2.gz JFFXJTKQPGGEQP-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000985443818 662450684 /nfs/dbraw/zinc/45/06/84/662450684.db2.gz ZEBLTFRFEOCGCX-HZPDHXFCSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000985443818 662450685 /nfs/dbraw/zinc/45/06/85/662450685.db2.gz ZEBLTFRFEOCGCX-HZPDHXFCSA-N 2 1 305.422 0.406 20 30 DCEDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902791087 663435068 /nfs/dbraw/zinc/43/50/68/663435068.db2.gz TUGIVTOWLYTHRD-CYBMUJFWSA-N 2 1 301.394 0.768 20 30 DCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000975438 665969299 /nfs/dbraw/zinc/96/92/99/665969299.db2.gz IFRROHVMYVCJOQ-UPTPFMHGSA-N 2 1 317.433 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975438 665969301 /nfs/dbraw/zinc/96/93/01/665969301.db2.gz IFRROHVMYVCJOQ-UPTPFMHGSA-N 2 1 317.433 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975438 665969303 /nfs/dbraw/zinc/96/93/03/665969303.db2.gz IFRROHVMYVCJOQ-UPTPFMHGSA-N 2 1 317.433 0.784 20 30 DCEDMP CC(C)[C@@H](C(=O)NCC#CC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000913517487 664336944 /nfs/dbraw/zinc/33/69/44/664336944.db2.gz CFGIOXKIDVPUDV-XHSDSOJGSA-N 2 1 309.454 0.801 20 30 DCEDMP CC(C)[C@@H](C(=O)NCC#CC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000913517487 664336946 /nfs/dbraw/zinc/33/69/46/664336946.db2.gz CFGIOXKIDVPUDV-XHSDSOJGSA-N 2 1 309.454 0.801 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000914161159 664756305 /nfs/dbraw/zinc/75/63/05/664756305.db2.gz RUIQGQOKQVEUDH-CQSZACIVSA-N 2 1 304.438 0.868 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567508 666020432 /nfs/dbraw/zinc/02/04/32/666020432.db2.gz VJXOAUJTIPTIFC-HNNXBMFYSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567508 666020433 /nfs/dbraw/zinc/02/04/33/666020433.db2.gz VJXOAUJTIPTIFC-HNNXBMFYSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001423522 666050602 /nfs/dbraw/zinc/05/06/02/666050602.db2.gz BRQKTKITCFBSIY-JKSUJKDBSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001032837212 666289167 /nfs/dbraw/zinc/28/91/67/666289167.db2.gz LKJNVPFNIBMNKC-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000922628530 666498697 /nfs/dbraw/zinc/49/86/97/666498697.db2.gz DWTFSPTUZDPHKN-INIZCTEOSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922628530 666498698 /nfs/dbraw/zinc/49/86/98/666498698.db2.gz DWTFSPTUZDPHKN-INIZCTEOSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922628530 666498700 /nfs/dbraw/zinc/49/87/00/666498700.db2.gz DWTFSPTUZDPHKN-INIZCTEOSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000945184232 666580395 /nfs/dbraw/zinc/58/03/95/666580395.db2.gz VVZIMNJWMDYYIP-HOCLYGCPSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779117 666651109 /nfs/dbraw/zinc/65/11/09/666651109.db2.gz GWIWBQAKACXPAV-NXOAAHMSSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779117 666651110 /nfs/dbraw/zinc/65/11/10/666651110.db2.gz GWIWBQAKACXPAV-NXOAAHMSSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779117 666651112 /nfs/dbraw/zinc/65/11/12/666651112.db2.gz GWIWBQAKACXPAV-NXOAAHMSSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278159 666658960 /nfs/dbraw/zinc/65/89/60/666658960.db2.gz MUUOTPWQQQLONS-GYMHETDLSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278159 666658961 /nfs/dbraw/zinc/65/89/61/666658961.db2.gz MUUOTPWQQQLONS-GYMHETDLSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278159 666658963 /nfs/dbraw/zinc/65/89/63/666658963.db2.gz MUUOTPWQQQLONS-GYMHETDLSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278159 666658965 /nfs/dbraw/zinc/65/89/65/666658965.db2.gz MUUOTPWQQQLONS-GYMHETDLSA-N 2 1 303.406 0.016 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995892239 666716987 /nfs/dbraw/zinc/71/69/87/666716987.db2.gz FFWSYBXGFWCVSS-LSDHHAIUSA-N 2 1 319.453 0.826 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489956 666730661 /nfs/dbraw/zinc/73/06/61/666730661.db2.gz LJQSWGOYITZEFA-HNNXBMFYSA-N 2 1 303.410 0.224 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489956 666730662 /nfs/dbraw/zinc/73/06/62/666730662.db2.gz LJQSWGOYITZEFA-HNNXBMFYSA-N 2 1 303.410 0.224 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005426465 666855295 /nfs/dbraw/zinc/85/52/95/666855295.db2.gz URRWXFWHTUZLRS-IAGOWNOFSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035170376 667261553 /nfs/dbraw/zinc/26/15/53/667261553.db2.gz NWFVGUMDCXEXLU-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035170376 667261556 /nfs/dbraw/zinc/26/15/56/667261556.db2.gz NWFVGUMDCXEXLU-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035170376 667261558 /nfs/dbraw/zinc/26/15/58/667261558.db2.gz NWFVGUMDCXEXLU-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035170376 667261559 /nfs/dbraw/zinc/26/15/59/667261559.db2.gz NWFVGUMDCXEXLU-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035394085 667322007 /nfs/dbraw/zinc/32/20/07/667322007.db2.gz LRUJBIAAGMTPLC-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035394085 667322008 /nfs/dbraw/zinc/32/20/08/667322008.db2.gz LRUJBIAAGMTPLC-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035394085 667322009 /nfs/dbraw/zinc/32/20/09/667322009.db2.gz LRUJBIAAGMTPLC-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035394085 667322010 /nfs/dbraw/zinc/32/20/10/667322010.db2.gz LRUJBIAAGMTPLC-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCC=C)CCO2)CC1 ZINC001035615460 667393226 /nfs/dbraw/zinc/39/32/26/667393226.db2.gz WPDKXEUNRRBRAT-KRWDZBQOSA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCC=C)CCO2)CC1 ZINC001035615460 667393228 /nfs/dbraw/zinc/39/32/28/667393228.db2.gz WPDKXEUNRRBRAT-KRWDZBQOSA-N 2 1 319.449 0.725 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035733024 667405589 /nfs/dbraw/zinc/40/55/89/667405589.db2.gz LOUOBDZUHPHEGH-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035733024 667405590 /nfs/dbraw/zinc/40/55/90/667405590.db2.gz LOUOBDZUHPHEGH-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000923427752 667531137 /nfs/dbraw/zinc/53/11/37/667531137.db2.gz VNWKOCVRASICAY-YQQAZPJKSA-N 2 1 301.390 0.839 20 30 DCEDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000923427752 667531138 /nfs/dbraw/zinc/53/11/38/667531138.db2.gz VNWKOCVRASICAY-YQQAZPJKSA-N 2 1 301.390 0.839 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000923551707 667559567 /nfs/dbraw/zinc/55/95/67/667559567.db2.gz OXLODSJMOKEMOB-OAHLLOKOSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000923551707 667559571 /nfs/dbraw/zinc/55/95/71/667559571.db2.gz OXLODSJMOKEMOB-OAHLLOKOSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838624276 667701407 /nfs/dbraw/zinc/70/14/07/667701407.db2.gz POPVQGAVKJSHMX-MRXNPFEDSA-N 2 1 322.453 0.448 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838624276 667701410 /nfs/dbraw/zinc/70/14/10/667701410.db2.gz POPVQGAVKJSHMX-MRXNPFEDSA-N 2 1 322.453 0.448 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885870126 667714483 /nfs/dbraw/zinc/71/44/83/667714483.db2.gz YNWUBHQMLNVXEA-HOTGVXAUSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000890361160 668118634 /nfs/dbraw/zinc/11/86/34/668118634.db2.gz KZOQATZVOKPFAW-CABCVRRESA-N 2 1 322.453 0.228 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000890361160 668118637 /nfs/dbraw/zinc/11/86/37/668118637.db2.gz KZOQATZVOKPFAW-CABCVRRESA-N 2 1 322.453 0.228 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000890361160 668118639 /nfs/dbraw/zinc/11/86/39/668118639.db2.gz KZOQATZVOKPFAW-CABCVRRESA-N 2 1 322.453 0.228 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000890361160 668118642 /nfs/dbraw/zinc/11/86/42/668118642.db2.gz KZOQATZVOKPFAW-CABCVRRESA-N 2 1 322.453 0.228 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000876774368 668508186 /nfs/dbraw/zinc/50/81/86/668508186.db2.gz TXKGRGPYPCOBBO-LBPRGKRZSA-N 2 1 316.833 0.079 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)[C@@H](C)C2)CC1 ZINC000948070767 670054224 /nfs/dbraw/zinc/05/42/24/670054224.db2.gz SFFMKLLTUPOQPZ-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948268944 670090986 /nfs/dbraw/zinc/09/09/86/670090986.db2.gz HVGKDGUCXFISSA-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948268944 670090993 /nfs/dbraw/zinc/09/09/93/670090993.db2.gz HVGKDGUCXFISSA-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948268944 670090999 /nfs/dbraw/zinc/09/09/99/670090999.db2.gz HVGKDGUCXFISSA-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948268944 670091001 /nfs/dbraw/zinc/09/10/01/670091001.db2.gz HVGKDGUCXFISSA-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCO)C2)CC1 ZINC001036903966 670270721 /nfs/dbraw/zinc/27/07/21/670270721.db2.gz KCDVZVQIDBJTFA-SJORKVTESA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC000949189333 670283923 /nfs/dbraw/zinc/28/39/23/670283923.db2.gz QFZZLSCFWWPHPF-JKSUJKDBSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000816750766 670857327 /nfs/dbraw/zinc/85/73/27/670857327.db2.gz RNSFVILNVZXJCK-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP C#C[C@@](C)(CC)[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000852098486 671087490 /nfs/dbraw/zinc/08/74/90/671087490.db2.gz OMNZHJXRIDTRCH-RDJZCZTQSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCO[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000822952762 671357349 /nfs/dbraw/zinc/35/73/49/671357349.db2.gz YBVNYMILMBXLFD-JKSUJKDBSA-N 2 1 309.454 0.899 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082035 1158435977 /nfs/dbraw/zinc/43/59/77/1158435977.db2.gz JTOYXKVDOASROA-UONOGXRCSA-N 2 1 310.442 0.256 20 30 DCEDMP CC(C)NC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000303782518 685206899 /nfs/dbraw/zinc/20/68/99/685206899.db2.gz NIKOQGRXIJWAIH-UHFFFAOYSA-N 2 1 305.430 0.301 20 30 DCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])NCC1CCC1 ZINC000303976702 685210082 /nfs/dbraw/zinc/21/00/82/685210082.db2.gz KJZSOAYTLBTHTQ-CQSZACIVSA-N 2 1 309.458 0.634 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C)CC(F)(F)F ZINC000304757475 685211784 /nfs/dbraw/zinc/21/17/84/685211784.db2.gz OXUWCXMUHXNTFG-NSHDSACASA-N 2 1 309.380 0.869 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174899 687405481 /nfs/dbraw/zinc/40/54/81/687405481.db2.gz IXRHPMWFORYEOX-JKSUJKDBSA-N 2 1 319.449 0.295 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC000958343502 687561932 /nfs/dbraw/zinc/56/19/32/687561932.db2.gz AQMZNKQHBSNYBW-HUUCEWRRSA-N 2 1 321.421 0.940 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554937 687741036 /nfs/dbraw/zinc/74/10/36/687741036.db2.gz JCSMTWJFBFBGPH-IRXDYDNUSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](CC)OC)CC1 ZINC001039042865 694284003 /nfs/dbraw/zinc/28/40/03/694284003.db2.gz YHPRRXATQMMBQM-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@H]2C)CC1 ZINC000968682776 690365124 /nfs/dbraw/zinc/36/51/24/690365124.db2.gz UJUMHRQRBWSGRZ-GDBMZVCRSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001425329 690544781 /nfs/dbraw/zinc/54/47/81/690544781.db2.gz NQDVGDCZAMZTQG-JKSUJKDBSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599805 694749747 /nfs/dbraw/zinc/74/97/47/694749747.db2.gz OVPQUCOBTILQTF-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599805 694749748 /nfs/dbraw/zinc/74/97/48/694749748.db2.gz OVPQUCOBTILQTF-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599805 694749749 /nfs/dbraw/zinc/74/97/49/694749749.db2.gz OVPQUCOBTILQTF-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599805 694749750 /nfs/dbraw/zinc/74/97/50/694749750.db2.gz OVPQUCOBTILQTF-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605694 694750577 /nfs/dbraw/zinc/75/05/77/694750577.db2.gz QXZSAYLAZAYKRH-HOTGVXAUSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605694 694750578 /nfs/dbraw/zinc/75/05/78/694750578.db2.gz QXZSAYLAZAYKRH-HOTGVXAUSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCCO1 ZINC001073639328 694757736 /nfs/dbraw/zinc/75/77/36/694757736.db2.gz FSSUDFVHHVRCPC-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCCO1 ZINC001073639328 694757737 /nfs/dbraw/zinc/75/77/37/694757737.db2.gz FSSUDFVHHVRCPC-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCCO1 ZINC001073639328 694757738 /nfs/dbraw/zinc/75/77/38/694757738.db2.gz FSSUDFVHHVRCPC-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCCO1 ZINC001073639328 694757740 /nfs/dbraw/zinc/75/77/40/694757740.db2.gz FSSUDFVHHVRCPC-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576671 695029359 /nfs/dbraw/zinc/02/93/59/695029359.db2.gz VHHWVGQNPDCLLO-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576671 695029360 /nfs/dbraw/zinc/02/93/60/695029360.db2.gz VHHWVGQNPDCLLO-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001570426983 1162512114 /nfs/dbraw/zinc/51/21/14/1162512114.db2.gz FIRGAQXLSDQLMR-UHFFFAOYSA-N 2 1 304.394 0.158 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570530669 1162537992 /nfs/dbraw/zinc/53/79/92/1162537992.db2.gz OQXBMXYCVXDQNQ-BRWVUGGUSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570530669 1162537996 /nfs/dbraw/zinc/53/79/96/1162537996.db2.gz OQXBMXYCVXDQNQ-BRWVUGGUSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001570530669 1162538001 /nfs/dbraw/zinc/53/80/01/1162538001.db2.gz OQXBMXYCVXDQNQ-BRWVUGGUSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001571348827 1162714696 /nfs/dbraw/zinc/71/46/96/1162714696.db2.gz QORBDFJRFPYDSH-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001571600575 1162846181 /nfs/dbraw/zinc/84/61/81/1162846181.db2.gz VAFHVJSSRKQEBD-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001571600575 1162846186 /nfs/dbraw/zinc/84/61/86/1162846186.db2.gz VAFHVJSSRKQEBD-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001571600575 1162846194 /nfs/dbraw/zinc/84/61/94/1162846194.db2.gz VAFHVJSSRKQEBD-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001571600575 1162846203 /nfs/dbraw/zinc/84/62/03/1162846203.db2.gz VAFHVJSSRKQEBD-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)CN1CCOCC1 ZINC001755200438 1158010916 /nfs/dbraw/zinc/01/09/16/1158010916.db2.gz KQQZILVYAIDHBN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001755200438 1158010921 /nfs/dbraw/zinc/01/09/21/1158010921.db2.gz KQQZILVYAIDHBN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001755200438 1158010925 /nfs/dbraw/zinc/01/09/25/1158010925.db2.gz KQQZILVYAIDHBN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001317943823 1159156919 /nfs/dbraw/zinc/15/69/19/1159156919.db2.gz XBBWGCDZWJJVBB-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001317943823 1159156921 /nfs/dbraw/zinc/15/69/21/1159156921.db2.gz XBBWGCDZWJJVBB-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001566813799 1160159848 /nfs/dbraw/zinc/15/98/48/1160159848.db2.gz OOHQCVRYHSHFND-RBSFLKMASA-N 2 1 322.453 0.350 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001566881591 1160177357 /nfs/dbraw/zinc/17/73/57/1160177357.db2.gz WWZAADOXQZBLTP-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001566881591 1160177361 /nfs/dbraw/zinc/17/73/61/1160177361.db2.gz WWZAADOXQZBLTP-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001566881591 1160177365 /nfs/dbraw/zinc/17/73/65/1160177365.db2.gz WWZAADOXQZBLTP-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001567426349 1160360748 /nfs/dbraw/zinc/36/07/48/1160360748.db2.gz YKOCOPODORNVSY-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001568193343 1160595054 /nfs/dbraw/zinc/59/50/54/1160595054.db2.gz AOBWAZDSEMIEAK-OAHLLOKOSA-N 2 1 311.470 0.956 20 30 DCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001568193749 1160595995 /nfs/dbraw/zinc/59/59/95/1160595995.db2.gz JWODQYKMGOJKOQ-ZDUSSCGKSA-N 2 1 304.394 0.859 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001569572228 1161151946 /nfs/dbraw/zinc/15/19/46/1161151946.db2.gz BSUOQZOQYWJESU-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001569814327 1161264313 /nfs/dbraw/zinc/26/43/13/1161264313.db2.gz TXHNAENYDLCKRH-QWHCGFSZSA-N 2 1 304.394 0.810 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001570291193 1161548862 /nfs/dbraw/zinc/54/88/62/1161548862.db2.gz MPNPKZFGDAIBJN-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)Nc1nccc([C@@H]2CC[NH2+]C2)n1 ZINC001574604325 1163734736 /nfs/dbraw/zinc/73/47/36/1163734736.db2.gz LWFMETKSPJUESU-CYBMUJFWSA-N 2 1 316.409 0.630 20 30 DCEDMP C[N@H+](CCOCC[NH3+])[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC001578477129 1165030208 /nfs/dbraw/zinc/03/02/08/1165030208.db2.gz HXCQLDUEQXGOJX-HNNXBMFYSA-N 2 1 302.378 0.571 20 30 DCEDMP C[N@@H+](CCOCC[NH3+])[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC001578477129 1165030215 /nfs/dbraw/zinc/03/02/15/1165030215.db2.gz HXCQLDUEQXGOJX-HNNXBMFYSA-N 2 1 302.378 0.571 20 30 DCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H](O)C[NH3+])CC2)cc1 ZINC001580066739 1165490956 /nfs/dbraw/zinc/49/09/56/1165490956.db2.gz RZZSJEFHPUKCEE-MRXNPFEDSA-N 2 1 316.405 0.302 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001671251305 1173662811 /nfs/dbraw/zinc/66/28/11/1173662811.db2.gz KCTWGYJTFBKALC-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC(C)C)C2)CC1 ZINC001661045634 1174090709 /nfs/dbraw/zinc/09/07/09/1174090709.db2.gz PQQXCDBYVBOYFJ-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001661682188 1174145671 /nfs/dbraw/zinc/14/56/71/1174145671.db2.gz RZKSYMQIBNNUAJ-UXLLHSPISA-N 2 1 307.438 0.912 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccnn1C ZINC001666563760 1174610893 /nfs/dbraw/zinc/61/08/93/1174610893.db2.gz VGRFCDNZYSIOAG-ZBFHGGJFSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccnn1C ZINC001666563760 1174610898 /nfs/dbraw/zinc/61/08/98/1174610898.db2.gz VGRFCDNZYSIOAG-ZBFHGGJFSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001667117688 1174662809 /nfs/dbraw/zinc/66/28/09/1174662809.db2.gz BSTIRQIFPYBLGI-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001667117688 1174662812 /nfs/dbraw/zinc/66/28/12/1174662812.db2.gz BSTIRQIFPYBLGI-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001667923956 1174733124 /nfs/dbraw/zinc/73/31/24/1174733124.db2.gz GATXQYPAMYGRGX-QGZVFWFLSA-N 2 1 317.433 0.447 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001671667233 1175029579 /nfs/dbraw/zinc/02/95/79/1175029579.db2.gz RADSONZFEVOREP-PBHICJAKSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001671667233 1175029586 /nfs/dbraw/zinc/02/95/86/1175029586.db2.gz RADSONZFEVOREP-PBHICJAKSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001672487403 1175115359 /nfs/dbraw/zinc/11/53/59/1175115359.db2.gz TUORZUNUOXEEEF-WMZOPIPTSA-N 2 1 321.465 0.847 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001672766513 1175151915 /nfs/dbraw/zinc/15/19/15/1175151915.db2.gz HIKKMKSBICRYKY-KBPBESRZSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001672766513 1175151918 /nfs/dbraw/zinc/15/19/18/1175151918.db2.gz HIKKMKSBICRYKY-KBPBESRZSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001673288118 1175184769 /nfs/dbraw/zinc/18/47/69/1175184769.db2.gz GFQQQKYWBVCMOI-AWEZNQCLSA-N 2 1 322.409 0.743 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001673911694 1175239757 /nfs/dbraw/zinc/23/97/57/1175239757.db2.gz TWFIZLXYSQLQJF-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001674496390 1175279938 /nfs/dbraw/zinc/27/99/38/1175279938.db2.gz XNMFIXGECPXHNV-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001674496390 1175279942 /nfs/dbraw/zinc/27/99/42/1175279942.db2.gz XNMFIXGECPXHNV-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001674496390 1175279947 /nfs/dbraw/zinc/27/99/47/1175279947.db2.gz XNMFIXGECPXHNV-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001674496390 1175279949 /nfs/dbraw/zinc/27/99/49/1175279949.db2.gz XNMFIXGECPXHNV-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001677157120 1175538874 /nfs/dbraw/zinc/53/88/74/1175538874.db2.gz RTSIOKQFEAZXBZ-HOTGVXAUSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001677157120 1175538880 /nfs/dbraw/zinc/53/88/80/1175538880.db2.gz RTSIOKQFEAZXBZ-HOTGVXAUSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001677157120 1175538884 /nfs/dbraw/zinc/53/88/84/1175538884.db2.gz RTSIOKQFEAZXBZ-HOTGVXAUSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001677157122 1175540235 /nfs/dbraw/zinc/54/02/35/1175540235.db2.gz RTSIOKQFEAZXBZ-JKSUJKDBSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001677157122 1175540243 /nfs/dbraw/zinc/54/02/43/1175540243.db2.gz RTSIOKQFEAZXBZ-JKSUJKDBSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001677157122 1175540247 /nfs/dbraw/zinc/54/02/47/1175540247.db2.gz RTSIOKQFEAZXBZ-JKSUJKDBSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001689254483 1176770522 /nfs/dbraw/zinc/77/05/22/1176770522.db2.gz YKTVERUDQPHHSI-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001689965007 1177129519 /nfs/dbraw/zinc/12/95/19/1177129519.db2.gz FFHGPTIMEJKVHJ-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001689965007 1177129523 /nfs/dbraw/zinc/12/95/23/1177129523.db2.gz FFHGPTIMEJKVHJ-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001689965007 1177129527 /nfs/dbraw/zinc/12/95/27/1177129527.db2.gz FFHGPTIMEJKVHJ-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001690073056 1177160926 /nfs/dbraw/zinc/16/09/26/1177160926.db2.gz DNOSPWDTAPNYDH-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001690073056 1177160928 /nfs/dbraw/zinc/16/09/28/1177160928.db2.gz DNOSPWDTAPNYDH-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001690079552 1177164374 /nfs/dbraw/zinc/16/43/74/1177164374.db2.gz KHKMCAGXMURVGV-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001690487582 1177253283 /nfs/dbraw/zinc/25/32/83/1177253283.db2.gz YOWMIPUFVBLZFC-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1OCC ZINC001692041948 1177407956 /nfs/dbraw/zinc/40/79/56/1177407956.db2.gz ASWBHRGWAXCQCU-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001698636440 1177595503 /nfs/dbraw/zinc/59/55/03/1177595503.db2.gz NAMGUWVNTYFUCV-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001698636440 1177595513 /nfs/dbraw/zinc/59/55/13/1177595513.db2.gz NAMGUWVNTYFUCV-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001698901058 1177713816 /nfs/dbraw/zinc/71/38/16/1177713816.db2.gz LNJQSWUAYFCMJJ-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001699060754 1177812917 /nfs/dbraw/zinc/81/29/17/1177812917.db2.gz AOTJXEREVRBZGF-LBPRGKRZSA-N 2 1 308.382 0.137 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001699442047 1178139470 /nfs/dbraw/zinc/13/94/70/1178139470.db2.gz NUVSLIYDPZRNJJ-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001699442047 1178139472 /nfs/dbraw/zinc/13/94/72/1178139472.db2.gz NUVSLIYDPZRNJJ-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001699442047 1178139477 /nfs/dbraw/zinc/13/94/77/1178139477.db2.gz NUVSLIYDPZRNJJ-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001699442047 1178139479 /nfs/dbraw/zinc/13/94/79/1178139479.db2.gz NUVSLIYDPZRNJJ-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001699703943 1178256232 /nfs/dbraw/zinc/25/62/32/1178256232.db2.gz OXRPEEYROGGICT-GOSISDBHSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001699703943 1178256237 /nfs/dbraw/zinc/25/62/37/1178256237.db2.gz OXRPEEYROGGICT-GOSISDBHSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001699703943 1178256244 /nfs/dbraw/zinc/25/62/44/1178256244.db2.gz OXRPEEYROGGICT-GOSISDBHSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001699906430 1178360798 /nfs/dbraw/zinc/36/07/98/1178360798.db2.gz KGXKDGITCSCZTC-RDJZCZTQSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001699906430 1178360806 /nfs/dbraw/zinc/36/08/06/1178360806.db2.gz KGXKDGITCSCZTC-RDJZCZTQSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001699906430 1178360815 /nfs/dbraw/zinc/36/08/15/1178360815.db2.gz KGXKDGITCSCZTC-RDJZCZTQSA-N 2 1 307.438 0.436 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001700019457 1178432870 /nfs/dbraw/zinc/43/28/70/1178432870.db2.gz LZYRBMWKSMXJCJ-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001700231944 1178541666 /nfs/dbraw/zinc/54/16/66/1178541666.db2.gz KLBIWUXUTHWGMQ-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001700253302 1178554891 /nfs/dbraw/zinc/55/48/91/1178554891.db2.gz RZXHKYSOZFTLBN-ZACQAIPSSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001700253302 1178554894 /nfs/dbraw/zinc/55/48/94/1178554894.db2.gz RZXHKYSOZFTLBN-ZACQAIPSSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001700366371 1178598692 /nfs/dbraw/zinc/59/86/92/1178598692.db2.gz UJEFOLUENCXKIZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001700366371 1178598696 /nfs/dbraw/zinc/59/86/96/1178598696.db2.gz UJEFOLUENCXKIZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001700366371 1178598698 /nfs/dbraw/zinc/59/86/98/1178598698.db2.gz UJEFOLUENCXKIZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001700366371 1178598702 /nfs/dbraw/zinc/59/87/02/1178598702.db2.gz UJEFOLUENCXKIZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001700567107 1178660805 /nfs/dbraw/zinc/66/08/05/1178660805.db2.gz IUIDZXBTLVSHDC-HNNXBMFYSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001700567107 1178660809 /nfs/dbraw/zinc/66/08/09/1178660809.db2.gz IUIDZXBTLVSHDC-HNNXBMFYSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001700633646 1178686102 /nfs/dbraw/zinc/68/61/02/1178686102.db2.gz AEHPKMBHMIKPGB-SHTZXODSSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001700695138 1178707950 /nfs/dbraw/zinc/70/79/50/1178707950.db2.gz YEZAGFUVIPQWIP-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001700695138 1178707956 /nfs/dbraw/zinc/70/79/56/1178707956.db2.gz YEZAGFUVIPQWIP-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001700695138 1178707957 /nfs/dbraw/zinc/70/79/57/1178707957.db2.gz YEZAGFUVIPQWIP-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001713357184 1180783743 /nfs/dbraw/zinc/78/37/43/1180783743.db2.gz RYGOAGUEONOXIA-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP CC#CC[NH+]1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001713907829 1181141901 /nfs/dbraw/zinc/14/19/01/1181141901.db2.gz QHTWILSYIZBDCR-UHFFFAOYSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001714556198 1181415752 /nfs/dbraw/zinc/41/57/52/1181415752.db2.gz XVEBTMFFYMFNHD-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C ZINC001714945897 1181612196 /nfs/dbraw/zinc/61/21/96/1181612196.db2.gz VGFDDUIXZAQCPZ-MRXNPFEDSA-N 2 1 320.437 0.962 20 30 DCEDMP COCC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001715179498 1181709260 /nfs/dbraw/zinc/70/92/60/1181709260.db2.gz TYSQWAPEMRGLLC-QGZVFWFLSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001716099994 1182190312 /nfs/dbraw/zinc/19/03/12/1182190312.db2.gz JAYONLGQEFQXBT-UKRRQHHQSA-N 2 1 306.410 0.397 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC#CCOC)C1CC1 ZINC001716632008 1182471695 /nfs/dbraw/zinc/47/16/95/1182471695.db2.gz SLVZTRZJQRPSTN-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001716892501 1182558704 /nfs/dbraw/zinc/55/87/04/1182558704.db2.gz CMRVXNJRVCFXIC-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001716892501 1182558710 /nfs/dbraw/zinc/55/87/10/1182558710.db2.gz CMRVXNJRVCFXIC-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001716892501 1182558716 /nfs/dbraw/zinc/55/87/16/1182558716.db2.gz CMRVXNJRVCFXIC-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001716892501 1182558720 /nfs/dbraw/zinc/55/87/20/1182558720.db2.gz CMRVXNJRVCFXIC-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001717353148 1182797046 /nfs/dbraw/zinc/79/70/46/1182797046.db2.gz CPIZHUJPWWYLBT-CQSZACIVSA-N 2 1 318.421 0.555 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001717839918 1183026047 /nfs/dbraw/zinc/02/60/47/1183026047.db2.gz DRFLFEITYDCCHY-WMZOPIPTSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCO)CC1 ZINC001724749878 1184542131 /nfs/dbraw/zinc/54/21/31/1184542131.db2.gz CMTXLABGFLGPGF-JYJNAYRXSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCO)CC1 ZINC001724749878 1184542136 /nfs/dbraw/zinc/54/21/36/1184542136.db2.gz CMTXLABGFLGPGF-JYJNAYRXSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCOCC1 ZINC001725168915 1184703734 /nfs/dbraw/zinc/70/37/34/1184703734.db2.gz DMZBRHXEDAUUIF-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCOCC1 ZINC001725168915 1184703741 /nfs/dbraw/zinc/70/37/41/1184703741.db2.gz DMZBRHXEDAUUIF-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCOCC1 ZINC001725168915 1184703748 /nfs/dbraw/zinc/70/37/48/1184703748.db2.gz DMZBRHXEDAUUIF-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC001725168915 1184703754 /nfs/dbraw/zinc/70/37/54/1184703754.db2.gz DMZBRHXEDAUUIF-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001725217949 1184728625 /nfs/dbraw/zinc/72/86/25/1184728625.db2.gz MVTDPCVYRAAKDE-UHFFFAOYSA-N 2 1 309.454 0.947 20 30 DCEDMP CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001725233952 1184731790 /nfs/dbraw/zinc/73/17/90/1184731790.db2.gz QTNVRGSUTVUVEM-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001725704779 1184955376 /nfs/dbraw/zinc/95/53/76/1184955376.db2.gz KKFIQRHVJCDQPV-UKRRQHHQSA-N 2 1 306.410 0.349 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001725704775 1184955957 /nfs/dbraw/zinc/95/59/57/1184955957.db2.gz KKFIQRHVJCDQPV-DZGCQCFKSA-N 2 1 306.410 0.349 20 30 DCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725716364 1184965691 /nfs/dbraw/zinc/96/56/91/1184965691.db2.gz XHPAPDMISQDOJE-HZPDHXFCSA-N 2 1 309.454 0.655 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001731701660 1185450222 /nfs/dbraw/zinc/45/02/22/1185450222.db2.gz IPIMEGWOCIFIRH-HZPDHXFCSA-N 2 1 318.421 0.858 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001731944488 1185596801 /nfs/dbraw/zinc/59/68/01/1185596801.db2.gz QVABFHJULKYOBI-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001731946852 1185599324 /nfs/dbraw/zinc/59/93/24/1185599324.db2.gz OPIBWDSZHHFTEJ-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732399237 1185798923 /nfs/dbraw/zinc/79/89/23/1185798923.db2.gz ZIDZXNZTKNINTP-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732996541 1186096362 /nfs/dbraw/zinc/09/63/62/1186096362.db2.gz LXGRHCNCNMYCTA-UONOGXRCSA-N 2 1 310.442 0.256 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001733270816 1186208789 /nfs/dbraw/zinc/20/87/89/1186208789.db2.gz DTKGCYKUMUTXGT-IKGGRYGDSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001733270816 1186208795 /nfs/dbraw/zinc/20/87/95/1186208795.db2.gz DTKGCYKUMUTXGT-IKGGRYGDSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001733270816 1186208800 /nfs/dbraw/zinc/20/88/00/1186208800.db2.gz DTKGCYKUMUTXGT-IKGGRYGDSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001733270816 1186208808 /nfs/dbraw/zinc/20/88/08/1186208808.db2.gz DTKGCYKUMUTXGT-IKGGRYGDSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001733362774 1186240576 /nfs/dbraw/zinc/24/05/76/1186240576.db2.gz WHGIODYZWLUFLZ-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001733361670 1186241068 /nfs/dbraw/zinc/24/10/68/1186241068.db2.gz FICVTHCAZMFOJA-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001733374838 1186246656 /nfs/dbraw/zinc/24/66/56/1186246656.db2.gz BYWSOCBHOBRXSS-CVEARBPZSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001733398697 1186253925 /nfs/dbraw/zinc/25/39/25/1186253925.db2.gz LXSXZBYPOCSPDH-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001733398697 1186253931 /nfs/dbraw/zinc/25/39/31/1186253931.db2.gz LXSXZBYPOCSPDH-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001733398697 1186253936 /nfs/dbraw/zinc/25/39/36/1186253936.db2.gz LXSXZBYPOCSPDH-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2(CCO)C[NH+](CC3CC3)C2)CC1 ZINC001734074779 1186541758 /nfs/dbraw/zinc/54/17/58/1186541758.db2.gz AVCBMARWAGSIMF-UHFFFAOYSA-N 2 1 319.449 0.295 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001734356002 1186621699 /nfs/dbraw/zinc/62/16/99/1186621699.db2.gz IMMUEMPICMOKTI-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC001734441100 1186654774 /nfs/dbraw/zinc/65/47/74/1186654774.db2.gz GDJZVHLCCDCHOP-WMZOPIPTSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC001734441100 1186654777 /nfs/dbraw/zinc/65/47/77/1186654777.db2.gz GDJZVHLCCDCHOP-WMZOPIPTSA-N 2 1 319.449 0.845 20 30 DCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001734545305 1186686831 /nfs/dbraw/zinc/68/68/31/1186686831.db2.gz URKMAKACHXVBDJ-OAHLLOKOSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001734545304 1186687451 /nfs/dbraw/zinc/68/74/51/1186687451.db2.gz URKMAKACHXVBDJ-HNNXBMFYSA-N 2 1 309.454 0.942 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CCOC ZINC001734577881 1186694868 /nfs/dbraw/zinc/69/48/68/1186694868.db2.gz DVJGHJSAHVBTDG-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CCOC ZINC001734577881 1186694870 /nfs/dbraw/zinc/69/48/70/1186694870.db2.gz DVJGHJSAHVBTDG-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001752366320 1188418319 /nfs/dbraw/zinc/41/83/19/1188418319.db2.gz WNRXZUOYTRBBBF-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001752681022 1188432947 /nfs/dbraw/zinc/43/29/47/1188432947.db2.gz RZKSYMQIBNNUAJ-ZOBUZTSGSA-N 2 1 307.438 0.912 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nccn1C ZINC001753008351 1188476604 /nfs/dbraw/zinc/47/66/04/1188476604.db2.gz WQRPJYNBPPEYBV-CABCVRRESA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nccn1C ZINC001753008351 1188476606 /nfs/dbraw/zinc/47/66/06/1188476606.db2.gz WQRPJYNBPPEYBV-CABCVRRESA-N 2 1 317.437 0.502 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001753138459 1188513342 /nfs/dbraw/zinc/51/33/42/1188513342.db2.gz VBWOCOAVVBOKBW-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001753342252 1188568239 /nfs/dbraw/zinc/56/82/39/1188568239.db2.gz MGGNTIINBSJUPK-UHFFFAOYSA-N 2 1 317.437 0.291 20 30 DCEDMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001753365766 1188574358 /nfs/dbraw/zinc/57/43/58/1188574358.db2.gz RETKZIXGNUAKOH-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001753365766 1188574359 /nfs/dbraw/zinc/57/43/59/1188574359.db2.gz RETKZIXGNUAKOH-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001753365766 1188574361 /nfs/dbraw/zinc/57/43/61/1188574361.db2.gz RETKZIXGNUAKOH-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001753365766 1188574365 /nfs/dbraw/zinc/57/43/65/1188574365.db2.gz RETKZIXGNUAKOH-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001754018569 1188712549 /nfs/dbraw/zinc/71/25/49/1188712549.db2.gz VTIZYBKNCYNEAQ-PBHICJAKSA-N 2 1 322.453 0.259 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001755189414 1189050925 /nfs/dbraw/zinc/05/09/25/1189050925.db2.gz PIXXDZJXZWHWDS-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001755189414 1189050927 /nfs/dbraw/zinc/05/09/27/1189050927.db2.gz PIXXDZJXZWHWDS-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001755189414 1189050931 /nfs/dbraw/zinc/05/09/31/1189050931.db2.gz PIXXDZJXZWHWDS-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001755637306 1189169707 /nfs/dbraw/zinc/16/97/07/1189169707.db2.gz XEYRVRGTFQBZJA-WBVHZDCISA-N 2 1 321.465 0.874 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001755655990 1189176567 /nfs/dbraw/zinc/17/65/67/1189176567.db2.gz GXVCJXHJVRQEJX-OCCSQVGLSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001755804017 1189224659 /nfs/dbraw/zinc/22/46/59/1189224659.db2.gz HBLOVTDHZQYPSE-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001755804017 1189224663 /nfs/dbraw/zinc/22/46/63/1189224663.db2.gz HBLOVTDHZQYPSE-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001755804017 1189224667 /nfs/dbraw/zinc/22/46/67/1189224667.db2.gz HBLOVTDHZQYPSE-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001127701644 751645766 /nfs/dbraw/zinc/64/57/66/751645766.db2.gz SVKBQZKEECSHKO-SOUVJXGZSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346696 747245116 /nfs/dbraw/zinc/24/51/16/747245116.db2.gz HEZRANRHHZHNSQ-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346696 747245119 /nfs/dbraw/zinc/24/51/19/747245119.db2.gz HEZRANRHHZHNSQ-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001098572521 747448373 /nfs/dbraw/zinc/44/83/73/747448373.db2.gz MIZGMIQMTHREKQ-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCCN1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392920 752214567 /nfs/dbraw/zinc/21/45/67/752214567.db2.gz YMAMRLSBRJAVOA-GNHJJJEISA-N 2 1 303.406 0.016 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682931 752294543 /nfs/dbraw/zinc/29/45/43/752294543.db2.gz RULVFGQRDBONSS-FVQBIDKESA-N 2 1 318.421 0.491 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682931 752294547 /nfs/dbraw/zinc/29/45/47/752294547.db2.gz RULVFGQRDBONSS-FVQBIDKESA-N 2 1 318.421 0.491 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685443 752299783 /nfs/dbraw/zinc/29/97/83/752299783.db2.gz RQZHRQHTWUHRFS-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077685443 752299789 /nfs/dbraw/zinc/29/97/89/752299789.db2.gz RQZHRQHTWUHRFS-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077685443 752299796 /nfs/dbraw/zinc/29/97/96/752299796.db2.gz RQZHRQHTWUHRFS-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029153 749090420 /nfs/dbraw/zinc/09/04/20/749090420.db2.gz CWNCWWAMMRGHNW-JKSUJKDBSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001088335942 749380287 /nfs/dbraw/zinc/38/02/87/749380287.db2.gz QZOCCVGLEPUVGX-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001088335942 749380291 /nfs/dbraw/zinc/38/02/91/749380291.db2.gz QZOCCVGLEPUVGX-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001088429392 749438517 /nfs/dbraw/zinc/43/85/17/749438517.db2.gz PGWGFIVONRDXNG-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001088429392 749438521 /nfs/dbraw/zinc/43/85/21/749438521.db2.gz PGWGFIVONRDXNG-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168136994 749473641 /nfs/dbraw/zinc/47/36/41/749473641.db2.gz KNHLXNTYYGVXIM-HNNXBMFYSA-N 2 1 307.438 0.464 20 30 DCEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203431519 749898954 /nfs/dbraw/zinc/89/89/54/749898954.db2.gz MBTPEWMZQJVDSC-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132188 750218348 /nfs/dbraw/zinc/21/83/48/750218348.db2.gz RJFQEXVCCAWNFG-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132188 750218353 /nfs/dbraw/zinc/21/83/53/750218353.db2.gz RJFQEXVCCAWNFG-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132188 750218357 /nfs/dbraw/zinc/21/83/57/750218357.db2.gz RJFQEXVCCAWNFG-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098778791 750912281 /nfs/dbraw/zinc/91/22/81/750912281.db2.gz ATARPWWHVJGKEJ-OAHLLOKOSA-N 2 1 318.425 0.423 20 30 DCEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001113126679 762152681 /nfs/dbraw/zinc/15/26/81/762152681.db2.gz RQRRBEZNTDZWRI-PQUAAJSLSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998518 752862406 /nfs/dbraw/zinc/86/24/06/752862406.db2.gz LYHPJWXFDSDLJI-WBVHZDCISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998518 752862412 /nfs/dbraw/zinc/86/24/12/752862412.db2.gz LYHPJWXFDSDLJI-WBVHZDCISA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923957 752870482 /nfs/dbraw/zinc/87/04/82/752870482.db2.gz LUKOLLUDHKPNDU-HZPDHXFCSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001077981247 752941590 /nfs/dbraw/zinc/94/15/90/752941590.db2.gz FOPCMPXLZPWCPS-IXDOHACOSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077981247 752941593 /nfs/dbraw/zinc/94/15/93/752941593.db2.gz FOPCMPXLZPWCPS-IXDOHACOSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001077981247 752941597 /nfs/dbraw/zinc/94/15/97/752941597.db2.gz FOPCMPXLZPWCPS-IXDOHACOSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001077981247 752941600 /nfs/dbraw/zinc/94/16/00/752941600.db2.gz FOPCMPXLZPWCPS-IXDOHACOSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001045645283 753277853 /nfs/dbraw/zinc/27/78/53/753277853.db2.gz SQXZABBFPIKGIT-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045645283 753277855 /nfs/dbraw/zinc/27/78/55/753277855.db2.gz SQXZABBFPIKGIT-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010130 753414120 /nfs/dbraw/zinc/41/41/20/753414120.db2.gz JALBDZPRZPLNOC-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010130 753414123 /nfs/dbraw/zinc/41/41/23/753414123.db2.gz JALBDZPRZPLNOC-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010130 753414130 /nfs/dbraw/zinc/41/41/30/753414130.db2.gz JALBDZPRZPLNOC-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046040446 753443152 /nfs/dbraw/zinc/44/31/52/753443152.db2.gz ITUPHKKLMJBADC-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046082240 753472073 /nfs/dbraw/zinc/47/20/73/753472073.db2.gz PFCVDFLBFLTUCF-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082240 753472074 /nfs/dbraw/zinc/47/20/74/753472074.db2.gz PFCVDFLBFLTUCF-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082240 753472076 /nfs/dbraw/zinc/47/20/76/753472076.db2.gz PFCVDFLBFLTUCF-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696877 753881827 /nfs/dbraw/zinc/88/18/27/753881827.db2.gz XBQJPOLQWCOERT-INIZCTEOSA-N 2 1 305.426 0.825 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047584385 754411897 /nfs/dbraw/zinc/41/18/97/754411897.db2.gz RMRHYWXXPKJSBZ-IRXDYDNUSA-N 2 1 321.465 0.634 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047584385 754411901 /nfs/dbraw/zinc/41/19/01/754411901.db2.gz RMRHYWXXPKJSBZ-IRXDYDNUSA-N 2 1 321.465 0.634 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108163434 754487817 /nfs/dbraw/zinc/48/78/17/754487817.db2.gz IPTXHQWWDJCPDE-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108163434 754487819 /nfs/dbraw/zinc/48/78/19/754487819.db2.gz IPTXHQWWDJCPDE-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CCCC)C[C@H]2C1 ZINC001048960741 755042183 /nfs/dbraw/zinc/04/21/83/755042183.db2.gz KYWLDNRATWORMH-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CCCC)C[C@H]2C1 ZINC001048960740 755042362 /nfs/dbraw/zinc/04/23/62/755042362.db2.gz KYWLDNRATWORMH-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392302 755247941 /nfs/dbraw/zinc/24/79/41/755247941.db2.gz XNWLBVBMMKJFCK-ARFHVFGLSA-N 2 1 307.438 0.958 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049904592 755441569 /nfs/dbraw/zinc/44/15/69/755441569.db2.gz QHLRELORVTWVNS-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049904592 755441571 /nfs/dbraw/zinc/44/15/71/755441571.db2.gz QHLRELORVTWVNS-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904592 755441575 /nfs/dbraw/zinc/44/15/75/755441575.db2.gz QHLRELORVTWVNS-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904592 755441579 /nfs/dbraw/zinc/44/15/79/755441579.db2.gz QHLRELORVTWVNS-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108189425 755487454 /nfs/dbraw/zinc/48/74/54/755487454.db2.gz BKPOFPFXJOXOFN-NVXWUHKLSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108189425 755487459 /nfs/dbraw/zinc/48/74/59/755487459.db2.gz BKPOFPFXJOXOFN-NVXWUHKLSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353257 755655617 /nfs/dbraw/zinc/65/56/17/755655617.db2.gz ABSHPIGZWDMRRA-HOTGVXAUSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCO)CC2)CC1 ZINC001052952399 755884663 /nfs/dbraw/zinc/88/46/63/755884663.db2.gz DEZQMHUQXXWADM-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717560 755977450 /nfs/dbraw/zinc/97/74/50/755977450.db2.gz NRJAVGHLSCMVPF-UKRRQHHQSA-N 2 1 303.410 0.128 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717560 755977454 /nfs/dbraw/zinc/97/74/54/755977454.db2.gz NRJAVGHLSCMVPF-UKRRQHHQSA-N 2 1 303.410 0.128 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803112 756213860 /nfs/dbraw/zinc/21/38/60/756213860.db2.gz KRMFSNTTWIUDEE-HZPDHXFCSA-N 2 1 319.449 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001053982679 756314353 /nfs/dbraw/zinc/31/43/53/756314353.db2.gz NYIUPZFOYZGIBO-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001053982679 756314355 /nfs/dbraw/zinc/31/43/55/756314355.db2.gz NYIUPZFOYZGIBO-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054007234 756329349 /nfs/dbraw/zinc/32/93/49/756329349.db2.gz BHQJMRRPQIWHOV-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054007234 756329353 /nfs/dbraw/zinc/32/93/53/756329353.db2.gz BHQJMRRPQIWHOV-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001090380890 757272117 /nfs/dbraw/zinc/27/21/17/757272117.db2.gz HGOBMJYABWZAKX-HOTGVXAUSA-N 2 1 314.389 0.994 20 30 DCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083110877 757470277 /nfs/dbraw/zinc/47/02/77/757470277.db2.gz YLIRJDUDYHEFJW-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110877 757470282 /nfs/dbraw/zinc/47/02/82/757470282.db2.gz YLIRJDUDYHEFJW-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110877 757470287 /nfs/dbraw/zinc/47/02/87/757470287.db2.gz YLIRJDUDYHEFJW-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110877 757470293 /nfs/dbraw/zinc/47/02/93/757470293.db2.gz YLIRJDUDYHEFJW-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607097 757930125 /nfs/dbraw/zinc/93/01/25/757930125.db2.gz LCRVHTGMTQLBFP-ZACQAIPSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607097 757930129 /nfs/dbraw/zinc/93/01/29/757930129.db2.gz LCRVHTGMTQLBFP-ZACQAIPSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607097 757930136 /nfs/dbraw/zinc/93/01/36/757930136.db2.gz LCRVHTGMTQLBFP-ZACQAIPSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607097 757930141 /nfs/dbraw/zinc/93/01/41/757930141.db2.gz LCRVHTGMTQLBFP-ZACQAIPSSA-N 2 1 319.449 0.652 20 30 DCEDMP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995372 759097332 /nfs/dbraw/zinc/09/73/32/759097332.db2.gz CJYMNXWJADLLBX-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001052083912 759166833 /nfs/dbraw/zinc/16/68/33/759166833.db2.gz QSZDWKAKLFUCQV-CVEARBPZSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117680 759190759 /nfs/dbraw/zinc/19/07/59/759190759.db2.gz XBIXISGCYIDQDB-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098392797 759249524 /nfs/dbraw/zinc/24/95/24/759249524.db2.gz YZTJTRQZQZGFQZ-INIZCTEOSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001052386415 759389059 /nfs/dbraw/zinc/38/90/59/759389059.db2.gz CGVZGBLNNRBYDI-HNNXBMFYSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052658369 759544464 /nfs/dbraw/zinc/54/44/64/759544464.db2.gz LKYUIVKKGMANMV-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052658369 759544470 /nfs/dbraw/zinc/54/44/70/759544470.db2.gz LKYUIVKKGMANMV-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658369 759544476 /nfs/dbraw/zinc/54/44/76/759544476.db2.gz LKYUIVKKGMANMV-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658369 759544484 /nfs/dbraw/zinc/54/44/84/759544484.db2.gz LKYUIVKKGMANMV-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900203 767877337 /nfs/dbraw/zinc/87/73/37/767877337.db2.gz JVVAMRAYYPNLRP-HNNXBMFYSA-N 2 1 322.453 0.235 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086091701 759705628 /nfs/dbraw/zinc/70/56/28/759705628.db2.gz KCDLGSACGPBMPV-QKPAOTATSA-N 2 1 307.438 0.910 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086476390 760235498 /nfs/dbraw/zinc/23/54/98/760235498.db2.gz KPZNGWAQZKCIOA-RBSFLKMASA-N 2 1 300.406 0.872 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216799 767939476 /nfs/dbraw/zinc/93/94/76/767939476.db2.gz RUWXGOBXKXEVNU-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343686 760417542 /nfs/dbraw/zinc/41/75/42/760417542.db2.gz XPYIMYYTKSDXJH-MRXNPFEDSA-N 2 1 313.442 0.348 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156467091 761049574 /nfs/dbraw/zinc/04/95/74/761049574.db2.gz ZHLJZDZUYYCJRA-OAHLLOKOSA-N 2 1 324.469 0.294 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156467091 761049583 /nfs/dbraw/zinc/04/95/83/761049583.db2.gz ZHLJZDZUYYCJRA-OAHLLOKOSA-N 2 1 324.469 0.294 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076300 761074354 /nfs/dbraw/zinc/07/43/54/761074354.db2.gz JWAQGVVDGJGIIO-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076300 761074365 /nfs/dbraw/zinc/07/43/65/761074365.db2.gz JWAQGVVDGJGIIO-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076300 761074375 /nfs/dbraw/zinc/07/43/75/761074375.db2.gz JWAQGVVDGJGIIO-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076300 761074391 /nfs/dbraw/zinc/07/43/91/761074391.db2.gz JWAQGVVDGJGIIO-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475166 761262767 /nfs/dbraw/zinc/26/27/67/761262767.db2.gz HDGHRHKVBRZYKJ-IMJJTQAJSA-N 2 1 317.437 0.584 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748584 768035460 /nfs/dbraw/zinc/03/54/60/768035460.db2.gz VFRGRIAWZDRVBY-OAHLLOKOSA-N 2 1 307.438 0.675 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748584 768035466 /nfs/dbraw/zinc/03/54/66/768035466.db2.gz VFRGRIAWZDRVBY-OAHLLOKOSA-N 2 1 307.438 0.675 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748584 768035469 /nfs/dbraw/zinc/03/54/69/768035469.db2.gz VFRGRIAWZDRVBY-OAHLLOKOSA-N 2 1 307.438 0.675 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001112583380 761702211 /nfs/dbraw/zinc/70/22/11/761702211.db2.gz QGINBJJYFCZHKW-JZXOWHBKSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583380 761702217 /nfs/dbraw/zinc/70/22/17/761702217.db2.gz QGINBJJYFCZHKW-JZXOWHBKSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129437339 762944231 /nfs/dbraw/zinc/94/42/31/762944231.db2.gz ZEABCNNIHMMTET-CHWSQXEVSA-N 2 1 319.409 0.157 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)noc1CC ZINC001129770876 763009438 /nfs/dbraw/zinc/00/94/38/763009438.db2.gz MNLUKOZCQUWXND-HNNXBMFYSA-N 2 1 318.421 0.849 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)noc1CC ZINC001129770876 763009443 /nfs/dbraw/zinc/00/94/43/763009443.db2.gz MNLUKOZCQUWXND-HNNXBMFYSA-N 2 1 318.421 0.849 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001099931231 763136217 /nfs/dbraw/zinc/13/62/17/763136217.db2.gz PKLQOAMHJFHSNG-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001099931231 763136226 /nfs/dbraw/zinc/13/62/26/763136226.db2.gz PKLQOAMHJFHSNG-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137395 763146472 /nfs/dbraw/zinc/14/64/72/763146472.db2.gz XHCWLTDFYZOAMV-KGLIPLIRSA-N 2 1 306.414 0.146 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127582 763335634 /nfs/dbraw/zinc/33/56/34/763335634.db2.gz XEAMLCLGRGQALU-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090489519 763419921 /nfs/dbraw/zinc/41/99/21/763419921.db2.gz NFSFSAIMPDUQRP-HUUCEWRRSA-N 2 1 307.438 0.436 20 30 DCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100401781 763551044 /nfs/dbraw/zinc/55/10/44/763551044.db2.gz KJPSGEQHNWCHSA-NRXISQOPSA-N 2 1 305.426 0.484 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131127763 763661322 /nfs/dbraw/zinc/66/13/22/763661322.db2.gz BFGSXDYLBIXNTR-HUUCEWRRSA-N 2 1 317.437 0.278 20 30 DCEDMP C#CC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001100756767 763765413 /nfs/dbraw/zinc/76/54/13/763765413.db2.gz MUTCQZHVDHDBPA-UHFFFAOYSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983026 764469017 /nfs/dbraw/zinc/46/90/17/764469017.db2.gz YGQWXGMLIXWTKD-QBPKDAKJSA-N 2 1 321.465 0.661 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983026 764469025 /nfs/dbraw/zinc/46/90/25/764469025.db2.gz YGQWXGMLIXWTKD-QBPKDAKJSA-N 2 1 321.465 0.661 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983026 764469034 /nfs/dbraw/zinc/46/90/34/764469034.db2.gz YGQWXGMLIXWTKD-QBPKDAKJSA-N 2 1 321.465 0.661 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133165017 764855616 /nfs/dbraw/zinc/85/56/16/764855616.db2.gz ALRALUWKLLCAQG-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133867938 765194286 /nfs/dbraw/zinc/19/42/86/765194286.db2.gz YMBYYRMQQUBAOF-HUUCEWRRSA-N 2 1 322.453 0.091 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133867935 765194474 /nfs/dbraw/zinc/19/44/74/765194474.db2.gz YMBYYRMQQUBAOF-CABCVRRESA-N 2 1 322.453 0.091 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1=O ZINC001133896653 765215402 /nfs/dbraw/zinc/21/54/02/765215402.db2.gz MZHNXUFQVDMCTF-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126254 765600003 /nfs/dbraw/zinc/60/00/03/765600003.db2.gz LCNHHVQPVDXVFS-AIANPOQGSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134768864 765662080 /nfs/dbraw/zinc/66/20/80/765662080.db2.gz GWSMTOWJHBRKEW-CABCVRRESA-N 2 1 324.469 0.646 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773640 765666491 /nfs/dbraw/zinc/66/64/91/765666491.db2.gz PVLWOINRIGVCTG-KBPBESRZSA-N 2 1 324.469 0.339 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086739330 765965884 /nfs/dbraw/zinc/96/58/84/765965884.db2.gz UHFRWBULFTWRKS-QWHCGFSZSA-N 2 1 304.394 0.858 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574246 766328342 /nfs/dbraw/zinc/32/83/42/766328342.db2.gz RDSWOKVJZDJHTC-CABCVRRESA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574246 766328346 /nfs/dbraw/zinc/32/83/46/766328346.db2.gz RDSWOKVJZDJHTC-CABCVRRESA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090610886 766372464 /nfs/dbraw/zinc/37/24/64/766372464.db2.gz WOTMRKWKGNBOPJ-HOTGVXAUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C[NH2+]C)ncn1 ZINC001171067497 766605834 /nfs/dbraw/zinc/60/58/34/766605834.db2.gz HPKKRPULTYBDJM-ZDUSSCGKSA-N 2 1 307.398 0.835 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001136986806 766636321 /nfs/dbraw/zinc/63/63/21/766636321.db2.gz XYZHIYUQBUJESY-SFHVURJKSA-N 2 1 317.433 0.857 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC=C)C[C@@H]2O)CC1 ZINC001090829685 766647899 /nfs/dbraw/zinc/64/78/99/766647899.db2.gz DOEOTSOFKYRYMP-SJORKVTESA-N 2 1 319.449 0.459 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@]2(C)C1 ZINC001091565441 767468864 /nfs/dbraw/zinc/46/88/64/767468864.db2.gz PGDOIEQZUGGUJC-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565441 767468870 /nfs/dbraw/zinc/46/88/70/767468870.db2.gz PGDOIEQZUGGUJC-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565441 767468873 /nfs/dbraw/zinc/46/88/73/767468873.db2.gz PGDOIEQZUGGUJC-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565441 767468880 /nfs/dbraw/zinc/46/88/80/767468880.db2.gz PGDOIEQZUGGUJC-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565441 767468886 /nfs/dbraw/zinc/46/88/86/767468886.db2.gz PGDOIEQZUGGUJC-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881259 768898345 /nfs/dbraw/zinc/89/83/45/768898345.db2.gz JMIVTHKOKPAWIS-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001176285732 770060622 /nfs/dbraw/zinc/06/06/22/770060622.db2.gz QAWBFUJCALKBIJ-HNNXBMFYSA-N 2 1 324.469 0.342 20 30 DCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176686141 770154196 /nfs/dbraw/zinc/15/41/96/770154196.db2.gz RHDQQFUVQWYSNK-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176686141 770154201 /nfs/dbraw/zinc/15/42/01/770154201.db2.gz RHDQQFUVQWYSNK-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154836537 770312855 /nfs/dbraw/zinc/31/28/55/770312855.db2.gz CZAOXICBNLYGEF-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001154836537 770312863 /nfs/dbraw/zinc/31/28/63/770312863.db2.gz CZAOXICBNLYGEF-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001154836537 770312869 /nfs/dbraw/zinc/31/28/69/770312869.db2.gz CZAOXICBNLYGEF-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066373 770384391 /nfs/dbraw/zinc/38/43/91/770384391.db2.gz GWSAYTBMXAQQDQ-GDBMZVCRSA-N 2 1 324.469 0.149 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066373 770384400 /nfs/dbraw/zinc/38/44/00/770384400.db2.gz GWSAYTBMXAQQDQ-GDBMZVCRSA-N 2 1 324.469 0.149 20 30 DCEDMP COc1cc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)ncc1C#N ZINC001155363073 770477089 /nfs/dbraw/zinc/47/70/89/770477089.db2.gz KXJOWIGETLEUJA-AWEZNQCLSA-N 2 1 301.394 0.821 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179150708 770955713 /nfs/dbraw/zinc/95/57/13/770955713.db2.gz XCKDLMWNSRJGRB-GJZGRUSLSA-N 2 1 304.394 0.420 20 30 DCEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001180332413 771107461 /nfs/dbraw/zinc/10/74/61/771107461.db2.gz ZGJZBSNOUGAUOA-MRXNPFEDSA-N 2 1 309.454 0.997 20 30 DCEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001180332413 771107463 /nfs/dbraw/zinc/10/74/63/771107463.db2.gz ZGJZBSNOUGAUOA-MRXNPFEDSA-N 2 1 309.454 0.997 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183391406 771643452 /nfs/dbraw/zinc/64/34/52/771643452.db2.gz RIJNKXXIYMRVCG-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185293645 771901261 /nfs/dbraw/zinc/90/12/61/771901261.db2.gz IWLSHNLVGYZXQW-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185668634 771946148 /nfs/dbraw/zinc/94/61/48/771946148.db2.gz FXCWKOVUUARZKB-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159911024 771975534 /nfs/dbraw/zinc/97/55/34/771975534.db2.gz WHCNOANUJLMTLM-INIZCTEOSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)noc1C ZINC001160191829 772006104 /nfs/dbraw/zinc/00/61/04/772006104.db2.gz OKYKEZMQVAWZTQ-INIZCTEOSA-N 2 1 318.421 0.985 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)noc1C ZINC001160191829 772006108 /nfs/dbraw/zinc/00/61/08/772006108.db2.gz OKYKEZMQVAWZTQ-INIZCTEOSA-N 2 1 318.421 0.985 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001160196437 772007215 /nfs/dbraw/zinc/00/72/15/772007215.db2.gz SFHLUHJYMQZYGH-IAGOWNOFSA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001160196437 772007220 /nfs/dbraw/zinc/00/72/20/772007220.db2.gz SFHLUHJYMQZYGH-IAGOWNOFSA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001160196437 772007224 /nfs/dbraw/zinc/00/72/24/772007224.db2.gz SFHLUHJYMQZYGH-IAGOWNOFSA-N 2 1 317.433 0.621 20 30 DCEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466803 772044790 /nfs/dbraw/zinc/04/47/90/772044790.db2.gz JFFFEYVRLLYOIK-NVXWUHKLSA-N 2 1 319.449 0.867 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466803 772044794 /nfs/dbraw/zinc/04/47/94/772044794.db2.gz JFFFEYVRLLYOIK-NVXWUHKLSA-N 2 1 319.449 0.867 20 30 DCEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160466803 772044799 /nfs/dbraw/zinc/04/47/99/772044799.db2.gz JFFFEYVRLLYOIK-NVXWUHKLSA-N 2 1 319.449 0.867 20 30 DCEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160466803 772044803 /nfs/dbraw/zinc/04/48/03/772044803.db2.gz JFFFEYVRLLYOIK-NVXWUHKLSA-N 2 1 319.449 0.867 20 30 DCEDMP C[NH+]1CCC(C#N)(Nc2nccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001162231316 772345104 /nfs/dbraw/zinc/34/51/04/772345104.db2.gz HRWWPZREBAIVER-UHFFFAOYSA-N 2 1 315.425 0.804 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOCC)C1 ZINC001190726208 772669320 /nfs/dbraw/zinc/66/93/20/772669320.db2.gz XGMHAJRGFVZOEV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCC)C1 ZINC001190726208 772669321 /nfs/dbraw/zinc/66/93/21/772669321.db2.gz XGMHAJRGFVZOEV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOCC)C1 ZINC001190726208 772669322 /nfs/dbraw/zinc/66/93/22/772669322.db2.gz XGMHAJRGFVZOEV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCOCC)C1 ZINC001190726208 772669324 /nfs/dbraw/zinc/66/93/24/772669324.db2.gz XGMHAJRGFVZOEV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCOCC)C1 ZINC001190726208 772669325 /nfs/dbraw/zinc/66/93/25/772669325.db2.gz XGMHAJRGFVZOEV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164596511 772686790 /nfs/dbraw/zinc/68/67/90/772686790.db2.gz LZQBHSORMPREKU-LSDHHAIUSA-N 2 1 307.438 0.912 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001190911228 772697848 /nfs/dbraw/zinc/69/78/48/772697848.db2.gz OEJSZPZEFURNBC-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001166814309 772863348 /nfs/dbraw/zinc/86/33/48/772863348.db2.gz AVCHTTSAZKVYDM-INIZCTEOSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192353780 772908992 /nfs/dbraw/zinc/90/89/92/772908992.db2.gz HQVPQWLQJXWCGC-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192353780 772908993 /nfs/dbraw/zinc/90/89/93/772908993.db2.gz HQVPQWLQJXWCGC-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353780 772908996 /nfs/dbraw/zinc/90/89/96/772908996.db2.gz HQVPQWLQJXWCGC-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353780 772908998 /nfs/dbraw/zinc/90/89/98/772908998.db2.gz HQVPQWLQJXWCGC-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203576994 772914651 /nfs/dbraw/zinc/91/46/51/772914651.db2.gz MJPCRXROJXLUQZ-HZPDHXFCSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203932420 772930206 /nfs/dbraw/zinc/93/02/06/772930206.db2.gz DTIFKNQLVQVNIG-AWEZNQCLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001205457464 772993745 /nfs/dbraw/zinc/99/37/45/772993745.db2.gz ADUUDJXDNHMDTR-INIZCTEOSA-N 2 1 317.437 0.275 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024456 772996966 /nfs/dbraw/zinc/99/69/66/772996966.db2.gz ZABIXKOARLXNTO-BZUAXINKSA-N 2 1 307.438 0.456 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193103066 773005704 /nfs/dbraw/zinc/00/57/04/773005704.db2.gz SIDGNTFGUVZTOE-RBSFLKMASA-N 2 1 318.421 0.581 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193103066 773005706 /nfs/dbraw/zinc/00/57/06/773005706.db2.gz SIDGNTFGUVZTOE-RBSFLKMASA-N 2 1 318.421 0.581 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462103 773066501 /nfs/dbraw/zinc/06/65/01/773066501.db2.gz KSEXFSBMXAVIID-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462103 773066505 /nfs/dbraw/zinc/06/65/05/773066505.db2.gz KSEXFSBMXAVIID-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193462103 773066508 /nfs/dbraw/zinc/06/65/08/773066508.db2.gz KSEXFSBMXAVIID-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193462103 773066511 /nfs/dbraw/zinc/06/65/11/773066511.db2.gz KSEXFSBMXAVIID-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570736 773079275 /nfs/dbraw/zinc/07/92/75/773079275.db2.gz LMURGNQOTDZHAA-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570736 773079278 /nfs/dbraw/zinc/07/92/78/773079278.db2.gz LMURGNQOTDZHAA-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC#CCOC)CC1 ZINC001206794721 773108134 /nfs/dbraw/zinc/10/81/34/773108134.db2.gz QRGITAVROZDHTN-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001194247322 773167566 /nfs/dbraw/zinc/16/75/66/773167566.db2.gz WOBYKXBFSPZEJT-QGZVFWFLSA-N 2 1 301.434 0.888 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425622 773458469 /nfs/dbraw/zinc/45/84/69/773458469.db2.gz PZUQDCOXMGQHSX-ZIAGYGMSSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425622 773458470 /nfs/dbraw/zinc/45/84/70/773458470.db2.gz PZUQDCOXMGQHSX-ZIAGYGMSSA-N 2 1 322.453 0.067 20 30 DCEDMP COCC#CCN1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001196172052 773551790 /nfs/dbraw/zinc/55/17/90/773551790.db2.gz VNWYOEUVKMDMIA-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001196172052 773551795 /nfs/dbraw/zinc/55/17/95/773551795.db2.gz VNWYOEUVKMDMIA-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001196172052 773551799 /nfs/dbraw/zinc/55/17/99/773551799.db2.gz VNWYOEUVKMDMIA-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001196172052 773551807 /nfs/dbraw/zinc/55/18/07/773551807.db2.gz VNWYOEUVKMDMIA-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001196498203 773610903 /nfs/dbraw/zinc/61/09/03/773610903.db2.gz CZLYAUWYMRSEFV-RBSFLKMASA-N 2 1 322.409 0.198 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674340 773728682 /nfs/dbraw/zinc/72/86/82/773728682.db2.gz SRCFUCPPBHJYOO-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001211367746 773796014 /nfs/dbraw/zinc/79/60/14/773796014.db2.gz YPXYTTAUHQXJFN-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001211367746 773796018 /nfs/dbraw/zinc/79/60/18/773796018.db2.gz YPXYTTAUHQXJFN-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001211367746 773796026 /nfs/dbraw/zinc/79/60/26/773796026.db2.gz YPXYTTAUHQXJFN-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001211367746 773796035 /nfs/dbraw/zinc/79/60/35/773796035.db2.gz YPXYTTAUHQXJFN-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730270 773879805 /nfs/dbraw/zinc/87/98/05/773879805.db2.gz KOSOACWZHJFLNM-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934445 774095294 /nfs/dbraw/zinc/09/52/94/774095294.db2.gz TWFIZLXYSQLQJF-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201631946 774529910 /nfs/dbraw/zinc/52/99/10/774529910.db2.gz OKQHCSXTZJIPNJ-UHFFFAOYSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCO1 ZINC001201952891 774586749 /nfs/dbraw/zinc/58/67/49/774586749.db2.gz RLEMIMWZWVEYJH-RDJZCZTQSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119233 774698263 /nfs/dbraw/zinc/69/82/63/774698263.db2.gz HCFVFRQFHCNXST-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001220868103 774938860 /nfs/dbraw/zinc/93/88/60/774938860.db2.gz BGBHROFAJMJAEO-GJZGRUSLSA-N 2 1 310.442 0.387 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162907 775014099 /nfs/dbraw/zinc/01/40/99/775014099.db2.gz MBNMBNOTUZKTJB-SJORKVTESA-N 2 1 317.433 0.856 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162907 775014108 /nfs/dbraw/zinc/01/41/08/775014108.db2.gz MBNMBNOTUZKTJB-SJORKVTESA-N 2 1 317.433 0.856 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162907 775014116 /nfs/dbraw/zinc/01/41/16/775014116.db2.gz MBNMBNOTUZKTJB-SJORKVTESA-N 2 1 317.433 0.856 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162907 775014126 /nfs/dbraw/zinc/01/41/26/775014126.db2.gz MBNMBNOTUZKTJB-SJORKVTESA-N 2 1 317.433 0.856 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784064 775669047 /nfs/dbraw/zinc/66/90/47/775669047.db2.gz ACQADXUFEWAZNQ-PXZCVYSUSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784064 775669057 /nfs/dbraw/zinc/66/90/57/775669057.db2.gz ACQADXUFEWAZNQ-PXZCVYSUSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001095784064 775669063 /nfs/dbraw/zinc/66/90/63/775669063.db2.gz ACQADXUFEWAZNQ-PXZCVYSUSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001095784064 775669073 /nfs/dbraw/zinc/66/90/73/775669073.db2.gz ACQADXUFEWAZNQ-PXZCVYSUSA-N 2 1 315.417 0.204 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225428005 775677082 /nfs/dbraw/zinc/67/70/82/775677082.db2.gz WEABRBODLFQOTH-OAHLLOKOSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225428254 775678064 /nfs/dbraw/zinc/67/80/64/775678064.db2.gz ZBKCTWAGNXRTIF-INIZCTEOSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141960 776162558 /nfs/dbraw/zinc/16/25/58/776162558.db2.gz NRDGALYKTIUTIE-HZPDHXFCSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114853052 776252897 /nfs/dbraw/zinc/25/28/97/776252897.db2.gz XEKCUGXQRZKGAW-CBZIJGRNSA-N 2 1 319.449 0.557 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001230101137 776253190 /nfs/dbraw/zinc/25/31/90/776253190.db2.gz AHTPBKZDEXNCKS-UHFFFAOYSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001230101137 776253198 /nfs/dbraw/zinc/25/31/98/776253198.db2.gz AHTPBKZDEXNCKS-UHFFFAOYSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC[NH+](CC)CC1 ZINC001278200252 945178213 /nfs/dbraw/zinc/17/82/13/945178213.db2.gz AWHVDPJJEJEVMH-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC[NH+](CC)CC1 ZINC001278200252 945178218 /nfs/dbraw/zinc/17/82/18/945178218.db2.gz AWHVDPJJEJEVMH-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317811586 945192501 /nfs/dbraw/zinc/19/25/01/945192501.db2.gz OVGSLNUZBQJFJQ-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317811586 945192505 /nfs/dbraw/zinc/19/25/05/945192505.db2.gz OVGSLNUZBQJFJQ-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317811586 945192509 /nfs/dbraw/zinc/19/25/09/945192509.db2.gz OVGSLNUZBQJFJQ-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)[C@H](C)COC)CC1 ZINC001266440241 939118805 /nfs/dbraw/zinc/11/88/05/939118805.db2.gz LVPAFSYLXRJNSR-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266546335 939158618 /nfs/dbraw/zinc/15/86/18/939158618.db2.gz TXJXWOYHQOCYBN-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266546335 939158621 /nfs/dbraw/zinc/15/86/21/939158621.db2.gz TXJXWOYHQOCYBN-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266546335 939158623 /nfs/dbraw/zinc/15/86/23/939158623.db2.gz TXJXWOYHQOCYBN-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267001219 939303321 /nfs/dbraw/zinc/30/33/21/939303321.db2.gz LLGMBCNRHUXXDZ-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267071281 939331153 /nfs/dbraw/zinc/33/11/53/939331153.db2.gz UEZCJZRKRQOKBZ-LSDHHAIUSA-N 2 1 324.469 0.455 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267114334 939348697 /nfs/dbraw/zinc/34/86/97/939348697.db2.gz CUSNPACUJRMPBO-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267114334 939348700 /nfs/dbraw/zinc/34/87/00/939348700.db2.gz CUSNPACUJRMPBO-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267114334 939348703 /nfs/dbraw/zinc/34/87/03/939348703.db2.gz CUSNPACUJRMPBO-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267114334 939348707 /nfs/dbraw/zinc/34/87/07/939348707.db2.gz CUSNPACUJRMPBO-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC#CCOC ZINC001267154813 939361657 /nfs/dbraw/zinc/36/16/57/939361657.db2.gz LEIDXBYQMRMMRQ-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267197049 939382525 /nfs/dbraw/zinc/38/25/25/939382525.db2.gz QDEJEKLBDQFZOB-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267246170 939401770 /nfs/dbraw/zinc/40/17/70/939401770.db2.gz SCWGBACTHQYQCI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267246170 939401771 /nfs/dbraw/zinc/40/17/71/939401771.db2.gz SCWGBACTHQYQCI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267246170 939401774 /nfs/dbraw/zinc/40/17/74/939401774.db2.gz SCWGBACTHQYQCI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267246170 939401777 /nfs/dbraw/zinc/40/17/77/939401777.db2.gz SCWGBACTHQYQCI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001267334014 939427476 /nfs/dbraw/zinc/42/74/76/939427476.db2.gz UWMVMKLHSZYKOC-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267545875 939497067 /nfs/dbraw/zinc/49/70/67/939497067.db2.gz XHQGRFCATQPYRA-ZDUSSCGKSA-N 2 1 304.394 0.811 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267545875 939497068 /nfs/dbraw/zinc/49/70/68/939497068.db2.gz XHQGRFCATQPYRA-ZDUSSCGKSA-N 2 1 304.394 0.811 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001267576362 939522098 /nfs/dbraw/zinc/52/20/98/939522098.db2.gz WZTAWEXCSCKHFM-UHFFFAOYSA-N 2 1 310.486 0.980 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001267712465 939635065 /nfs/dbraw/zinc/63/50/65/939635065.db2.gz SZJFWHJGEOJCOW-GJZGRUSLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001267712465 939635066 /nfs/dbraw/zinc/63/50/66/939635066.db2.gz SZJFWHJGEOJCOW-GJZGRUSLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267787853 939683269 /nfs/dbraw/zinc/68/32/69/939683269.db2.gz LBGZLUBBBWRHOR-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267787853 939683270 /nfs/dbraw/zinc/68/32/70/939683270.db2.gz LBGZLUBBBWRHOR-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCOCC1 ZINC001267805086 939685743 /nfs/dbraw/zinc/68/57/43/939685743.db2.gz DJNIMOGJUXHKJD-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCOCC1 ZINC001267805086 939685745 /nfs/dbraw/zinc/68/57/45/939685745.db2.gz DJNIMOGJUXHKJD-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267808994 939686928 /nfs/dbraw/zinc/68/69/28/939686928.db2.gz CLTQNYJSXWCTRR-ZIAGYGMSSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCC(F)(F)F ZINC001268307244 940045928 /nfs/dbraw/zinc/04/59/28/940045928.db2.gz FTYMAMKPQIOIGC-RYUDHWBXSA-N 2 1 321.343 0.103 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCC(F)(F)F ZINC001268307244 940045931 /nfs/dbraw/zinc/04/59/31/940045931.db2.gz FTYMAMKPQIOIGC-RYUDHWBXSA-N 2 1 321.343 0.103 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268580033 940263573 /nfs/dbraw/zinc/26/35/73/940263573.db2.gz VMBZVQUXYSEMTG-WJNHHXLDSA-N 2 1 322.453 0.423 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268658317 940321537 /nfs/dbraw/zinc/32/15/37/940321537.db2.gz HNJGAYJLPRYEAG-UKRRQHHQSA-N 2 1 318.421 0.498 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001269065559 940608154 /nfs/dbraw/zinc/60/81/54/940608154.db2.gz SISLVORJCIVEBS-KKUMJFAQSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001269065559 940608159 /nfs/dbraw/zinc/60/81/59/940608159.db2.gz SISLVORJCIVEBS-KKUMJFAQSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269356572 940691231 /nfs/dbraw/zinc/69/12/31/940691231.db2.gz ROWCZEURHPSEKI-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001269356572 940691234 /nfs/dbraw/zinc/69/12/34/940691234.db2.gz ROWCZEURHPSEKI-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001269356572 940691235 /nfs/dbraw/zinc/69/12/35/940691235.db2.gz ROWCZEURHPSEKI-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269356572 940691237 /nfs/dbraw/zinc/69/12/37/940691237.db2.gz ROWCZEURHPSEKI-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001271201599 941320678 /nfs/dbraw/zinc/32/06/78/941320678.db2.gz SYKQWKZNVZGWLX-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001271964830 941493576 /nfs/dbraw/zinc/49/35/76/941493576.db2.gz GGPCXFGUGSKDQE-PBHICJAKSA-N 2 1 318.421 0.575 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272034318 941537557 /nfs/dbraw/zinc/53/75/57/941537557.db2.gz NUTICHVGLCNYBF-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccnn1C ZINC001482930297 941715741 /nfs/dbraw/zinc/71/57/41/941715741.db2.gz PXLHEFBKRINYDT-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccnn1C ZINC001482930297 941715742 /nfs/dbraw/zinc/71/57/42/941715742.db2.gz PXLHEFBKRINYDT-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C)ncn1 ZINC001483136453 941902272 /nfs/dbraw/zinc/90/22/72/941902272.db2.gz SIJGAVSAQMXIBI-ZBFHGGJFSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C)ncn1 ZINC001483136453 941902274 /nfs/dbraw/zinc/90/22/74/941902274.db2.gz SIJGAVSAQMXIBI-ZBFHGGJFSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC(C)C)CC1 ZINC001483741746 942840932 /nfs/dbraw/zinc/84/09/32/942840932.db2.gz ASYJHRILZFKOMH-HNNXBMFYSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC(C)C)CC1 ZINC001483741746 942840937 /nfs/dbraw/zinc/84/09/37/942840937.db2.gz ASYJHRILZFKOMH-HNNXBMFYSA-N 2 1 307.438 0.747 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001483761514 942916475 /nfs/dbraw/zinc/91/64/75/942916475.db2.gz BYGDBRTXKWBOTR-KBPBESRZSA-N 2 1 322.453 0.257 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484042958 943113561 /nfs/dbraw/zinc/11/35/61/943113561.db2.gz CXDIANDTNWXJRG-SJLPKXTDSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484436097 943380352 /nfs/dbraw/zinc/38/03/52/943380352.db2.gz UHEYNCDKXPXPGX-NVXWUHKLSA-N 2 1 307.438 0.457 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001484988057 943645741 /nfs/dbraw/zinc/64/57/41/943645741.db2.gz OIEWMGRCVLAAGV-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001484988057 943645742 /nfs/dbraw/zinc/64/57/42/943645742.db2.gz OIEWMGRCVLAAGV-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001485091843 943689801 /nfs/dbraw/zinc/68/98/01/943689801.db2.gz GNWVQWKWHCYNKT-OFLPRAFFSA-N 2 1 321.465 0.993 20 30 DCEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001491065132 943731035 /nfs/dbraw/zinc/73/10/35/943731035.db2.gz ZGWGDQDCWZXDIS-IYBDPMFKSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001491176512 943805583 /nfs/dbraw/zinc/80/55/83/943805583.db2.gz JYBKKBLAUXLIQH-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001491486272 944036150 /nfs/dbraw/zinc/03/61/50/944036150.db2.gz DMSCLYGSPSEARZ-KBPBESRZSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001491486272 944036155 /nfs/dbraw/zinc/03/61/55/944036155.db2.gz DMSCLYGSPSEARZ-KBPBESRZSA-N 2 1 322.453 0.093 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001272785988 944225034 /nfs/dbraw/zinc/22/50/34/944225034.db2.gz LXYFIPAPZKTZDK-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001272785988 944225039 /nfs/dbraw/zinc/22/50/39/944225039.db2.gz LXYFIPAPZKTZDK-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001494101764 944243239 /nfs/dbraw/zinc/24/32/39/944243239.db2.gz FOCCZLDWFPCBGT-MRXNPFEDSA-N 2 1 308.470 0.590 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC ZINC001276762332 944290976 /nfs/dbraw/zinc/29/09/76/944290976.db2.gz QQBPXWBSQXDSIV-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)CN1CC2(C[NH+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887739 944300737 /nfs/dbraw/zinc/30/07/37/944300737.db2.gz JEXRCIGFNGMCAU-UHFFFAOYSA-N 2 1 307.438 0.818 20 30 DCEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001485935404 944417672 /nfs/dbraw/zinc/41/76/72/944417672.db2.gz RENQUKDZXGUNPR-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001486050069 944532898 /nfs/dbraw/zinc/53/28/98/944532898.db2.gz KPMQHFDERRRKMK-HOTGVXAUSA-N 2 1 303.406 0.379 20 30 DCEDMP COCC#CC[N@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001277411593 944809386 /nfs/dbraw/zinc/80/93/86/944809386.db2.gz MAPJTGCWASPAGT-UHFFFAOYSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001277411593 944809390 /nfs/dbraw/zinc/80/93/90/944809390.db2.gz MAPJTGCWASPAGT-UHFFFAOYSA-N 2 1 318.421 0.764 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317135901 944817846 /nfs/dbraw/zinc/81/78/46/944817846.db2.gz TZUIOTSNVIWMGL-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317178315 944837615 /nfs/dbraw/zinc/83/76/15/944837615.db2.gz LGVSPAINVQBXSA-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317178315 944837622 /nfs/dbraw/zinc/83/76/22/944837622.db2.gz LGVSPAINVQBXSA-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317178315 944837631 /nfs/dbraw/zinc/83/76/31/944837631.db2.gz LGVSPAINVQBXSA-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317178315 944837642 /nfs/dbraw/zinc/83/76/42/944837642.db2.gz LGVSPAINVQBXSA-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001319981628 945709435 /nfs/dbraw/zinc/70/94/35/945709435.db2.gz ROOQXWARQLCVIN-GJZGRUSLSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001319981628 945709440 /nfs/dbraw/zinc/70/94/40/945709440.db2.gz ROOQXWARQLCVIN-GJZGRUSLSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001319981628 945709445 /nfs/dbraw/zinc/70/94/45/945709445.db2.gz ROOQXWARQLCVIN-GJZGRUSLSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001319981628 945709451 /nfs/dbraw/zinc/70/94/51/945709451.db2.gz ROOQXWARQLCVIN-GJZGRUSLSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001252595555 945967803 /nfs/dbraw/zinc/96/78/03/945967803.db2.gz IQTZJBBEZZUQKK-IXDOHACOSA-N 2 1 312.454 0.983 20 30 DCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001252595555 945967805 /nfs/dbraw/zinc/96/78/05/945967805.db2.gz IQTZJBBEZZUQKK-IXDOHACOSA-N 2 1 312.454 0.983 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001252595555 945967810 /nfs/dbraw/zinc/96/78/10/945967810.db2.gz IQTZJBBEZZUQKK-IXDOHACOSA-N 2 1 312.454 0.983 20 30 DCEDMP COCC#CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322219952 946616148 /nfs/dbraw/zinc/61/61/48/946616148.db2.gz ZFVYRTVUUDHZLW-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322219952 946616156 /nfs/dbraw/zinc/61/61/56/946616156.db2.gz ZFVYRTVUUDHZLW-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001322831659 946826861 /nfs/dbraw/zinc/82/68/61/946826861.db2.gz MKJAPQHGCFVWAE-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001324096725 947311505 /nfs/dbraw/zinc/31/15/05/947311505.db2.gz DKXDVLZGDUKHFE-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325099475 947650804 /nfs/dbraw/zinc/65/08/04/947650804.db2.gz XMBUATKSYRIJGZ-GOSISDBHSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325161011 947687398 /nfs/dbraw/zinc/68/73/98/947687398.db2.gz LGNDDHRAVRPXCY-RDJZCZTQSA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCN2CCOCC2)CC1 ZINC001273457683 947749223 /nfs/dbraw/zinc/74/92/23/947749223.db2.gz QTRQQYOPDRLJFT-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001273457683 947749237 /nfs/dbraw/zinc/74/92/37/947749237.db2.gz QTRQQYOPDRLJFT-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001273515219 947936955 /nfs/dbraw/zinc/93/69/55/947936955.db2.gz SQWBQABHAOHQBF-KRWDZBQOSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001325861749 947955877 /nfs/dbraw/zinc/95/58/77/947955877.db2.gz VBEYCQMWHJIZGE-HOCLYGCPSA-N 2 1 306.410 0.963 20 30 DCEDMP C=CCN1CCC[C@](CO)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001325861749 947955881 /nfs/dbraw/zinc/95/58/81/947955881.db2.gz VBEYCQMWHJIZGE-HOCLYGCPSA-N 2 1 306.410 0.963 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001326091109 948049451 /nfs/dbraw/zinc/04/94/51/948049451.db2.gz JGMRDUPCUANTIF-OAHLLOKOSA-N 2 1 318.421 0.188 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327111475 948400741 /nfs/dbraw/zinc/40/07/41/948400741.db2.gz RVNNOWJOMHYSAI-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001327111475 948400743 /nfs/dbraw/zinc/40/07/43/948400743.db2.gz RVNNOWJOMHYSAI-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001327111475 948400745 /nfs/dbraw/zinc/40/07/45/948400745.db2.gz RVNNOWJOMHYSAI-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001263919162 948805637 /nfs/dbraw/zinc/80/56/37/948805637.db2.gz IGAZVLQNWBGHHW-YESZJQIVSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001264666439 949063029 /nfs/dbraw/zinc/06/30/29/949063029.db2.gz QJNLWPZYOKSGPV-HOTGVXAUSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001264666439 949063049 /nfs/dbraw/zinc/06/30/49/949063049.db2.gz QJNLWPZYOKSGPV-HOTGVXAUSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001264666439 949063068 /nfs/dbraw/zinc/06/30/68/949063068.db2.gz QJNLWPZYOKSGPV-HOTGVXAUSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001264986177 949142690 /nfs/dbraw/zinc/14/26/90/949142690.db2.gz BFYHHADFTBOGMX-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001264986177 949142699 /nfs/dbraw/zinc/14/26/99/949142699.db2.gz BFYHHADFTBOGMX-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001329625948 949727060 /nfs/dbraw/zinc/72/70/60/949727060.db2.gz ZLFGRSULPKMMMR-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001490261843 950516021 /nfs/dbraw/zinc/51/60/21/950516021.db2.gz RXNRUOHROYXLOU-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001279578550 950635482 /nfs/dbraw/zinc/63/54/82/950635482.db2.gz YYSXAPRVUITJTE-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001279578550 950635503 /nfs/dbraw/zinc/63/55/03/950635503.db2.gz YYSXAPRVUITJTE-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001279578550 950635522 /nfs/dbraw/zinc/63/55/22/950635522.db2.gz YYSXAPRVUITJTE-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)[C@@H](C)C(N)=O)CC1 ZINC001490362801 950661143 /nfs/dbraw/zinc/66/11/43/950661143.db2.gz ZICKGDMPGJHYEA-AWEZNQCLSA-N 2 1 322.453 0.034 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001280875550 951134344 /nfs/dbraw/zinc/13/43/44/951134344.db2.gz XSZOERBSBZKNAW-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001331642707 951215837 /nfs/dbraw/zinc/21/58/37/951215837.db2.gz BXJIAQVNGMINHN-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CCCC#N)C2)C1=O ZINC001274039725 951350861 /nfs/dbraw/zinc/35/08/61/951350861.db2.gz LJZBRLDVCLXUBU-MRXNPFEDSA-N 2 1 306.410 0.693 20 30 DCEDMP C#CCN1CC(N2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001281588160 951552888 /nfs/dbraw/zinc/55/28/88/951552888.db2.gz HVNWNULZJPEYNL-UHFFFAOYSA-N 2 1 320.481 0.426 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001281634719 951569020 /nfs/dbraw/zinc/56/90/20/951569020.db2.gz OHIJEGOJCDYVJX-OAHLLOKOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCN1CC[C@@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274657515 951773857 /nfs/dbraw/zinc/77/38/57/951773857.db2.gz ZLXXPJZCGHEWCP-DOTOQJQBSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH2+]CC1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001275250519 952031756 /nfs/dbraw/zinc/03/17/56/952031756.db2.gz JVFGCBXAPWDJGK-UHFFFAOYSA-N 2 1 304.394 0.858 20 30 DCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001275559268 952262965 /nfs/dbraw/zinc/26/29/65/952262965.db2.gz IVWYNQRVFXDFRQ-SWLSCSKDSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CCN(C)C[C@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001275559268 952262970 /nfs/dbraw/zinc/26/29/70/952262970.db2.gz IVWYNQRVFXDFRQ-SWLSCSKDSA-N 2 1 303.410 0.860 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001276013774 952622741 /nfs/dbraw/zinc/62/27/41/952622741.db2.gz ZPXBLQSQIWSQIA-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001276013774 952622744 /nfs/dbraw/zinc/62/27/44/952622744.db2.gz ZPXBLQSQIWSQIA-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001276013774 952622747 /nfs/dbraw/zinc/62/27/47/952622747.db2.gz ZPXBLQSQIWSQIA-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001349823548 954898920 /nfs/dbraw/zinc/89/89/20/954898920.db2.gz NBWBYWMXVRTOTC-CQSZACIVSA-N 2 1 318.425 0.916 20 30 DCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001284501387 955133401 /nfs/dbraw/zinc/13/34/01/955133401.db2.gz CUGDAPOPEGETPL-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CCN1CCN(c2nnc(C)n2CC[N@H+](C)C(C)C)CC1 ZINC001359030393 957724809 /nfs/dbraw/zinc/72/48/09/957724809.db2.gz VITNSYRVPUVYNV-UHFFFAOYSA-N 2 1 304.442 0.682 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001298809992 958722924 /nfs/dbraw/zinc/72/29/24/958722924.db2.gz AQUPKTMQANPWHI-ZNMIVQPWSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001298809992 958722948 /nfs/dbraw/zinc/72/29/48/958722948.db2.gz AQUPKTMQANPWHI-ZNMIVQPWSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316744590 960299910 /nfs/dbraw/zinc/29/99/10/960299910.db2.gz RDERYDCUIYJKEB-JKSUJKDBSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316744590 960299915 /nfs/dbraw/zinc/29/99/15/960299915.db2.gz RDERYDCUIYJKEB-JKSUJKDBSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316744590 960299927 /nfs/dbraw/zinc/29/99/27/960299927.db2.gz RDERYDCUIYJKEB-JKSUJKDBSA-N 2 1 309.454 0.942 20 30 DCEDMP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379469965 962997710 /nfs/dbraw/zinc/99/77/10/962997710.db2.gz QDZVYYKIEQHMDB-OAHLLOKOSA-N 2 1 304.394 0.077 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001370284315 965962347 /nfs/dbraw/zinc/96/23/47/965962347.db2.gz UVTNEZBHSTYCFR-KBPBESRZSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001370284315 965962358 /nfs/dbraw/zinc/96/23/58/965962358.db2.gz UVTNEZBHSTYCFR-KBPBESRZSA-N 2 1 315.845 0.944 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001522954407 1014489621 /nfs/dbraw/zinc/48/96/21/1014489621.db2.gz RPIDCQJWJKKWNR-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394577953 993856613 /nfs/dbraw/zinc/85/66/13/993856613.db2.gz KKTSKZRLBHYMEI-JKSUJKDBSA-N 2 1 316.405 0.219 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001503003908 1016146053 /nfs/dbraw/zinc/14/60/53/1016146053.db2.gz UFBXVABOARCHOU-CABCVRRESA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001507320261 1016250467 /nfs/dbraw/zinc/25/04/67/1016250467.db2.gz WGAATJFDECIWJY-CHWSQXEVSA-N 2 1 304.394 0.952 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001507387636 1016297633 /nfs/dbraw/zinc/29/76/33/1016297633.db2.gz QYYODURTRUYQAE-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001507387636 1016297640 /nfs/dbraw/zinc/29/76/40/1016297640.db2.gz QYYODURTRUYQAE-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001507387636 1016297644 /nfs/dbraw/zinc/29/76/44/1016297644.db2.gz QYYODURTRUYQAE-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001507387636 1016297651 /nfs/dbraw/zinc/29/76/51/1016297651.db2.gz QYYODURTRUYQAE-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001401142570 1000223426 /nfs/dbraw/zinc/22/34/26/1000223426.db2.gz KZEAVHSQZACURI-GFCCVEGCSA-N 2 1 303.834 0.803 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419237871 1000906417 /nfs/dbraw/zinc/90/64/17/1000906417.db2.gz BJWQFQOXQUFHHE-OLZOCXBDSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419237871 1000906420 /nfs/dbraw/zinc/90/64/20/1000906420.db2.gz BJWQFQOXQUFHHE-OLZOCXBDSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402287421 1001179871 /nfs/dbraw/zinc/17/98/71/1001179871.db2.gz KKHYWOMBGXUOMH-JSGCOSHPSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402287421 1001179873 /nfs/dbraw/zinc/17/98/73/1001179873.db2.gz KKHYWOMBGXUOMH-JSGCOSHPSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402287421 1001179878 /nfs/dbraw/zinc/17/98/78/1001179878.db2.gz KKHYWOMBGXUOMH-JSGCOSHPSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402287421 1001179880 /nfs/dbraw/zinc/17/98/80/1001179880.db2.gz KKHYWOMBGXUOMH-JSGCOSHPSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402287421 1001179884 /nfs/dbraw/zinc/17/98/84/1001179884.db2.gz KKHYWOMBGXUOMH-JSGCOSHPSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001402611930 1001440367 /nfs/dbraw/zinc/44/03/67/1001440367.db2.gz XPMAOOWRBVPKAQ-GXTWGEPZSA-N 2 1 315.845 0.898 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001420090957 1001839683 /nfs/dbraw/zinc/83/96/83/1001839683.db2.gz AXVZJFLBZLHKNX-RISCZKNCSA-N 2 1 322.434 0.281 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001403893116 1002690404 /nfs/dbraw/zinc/69/04/04/1002690404.db2.gz FMUGVUVXZDKLBF-AWEZNQCLSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001403893116 1002690407 /nfs/dbraw/zinc/69/04/07/1002690407.db2.gz FMUGVUVXZDKLBF-AWEZNQCLSA-N 2 1 317.861 0.832 20 30 DCEDMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(C#N)s1 ZINC001441783784 1008501241 /nfs/dbraw/zinc/50/12/41/1008501241.db2.gz ILJAJPJPGUNGKR-FZMZJTMJSA-N 2 1 322.434 0.545 20 30 DCEDMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(C#N)s1 ZINC001441783784 1008501244 /nfs/dbraw/zinc/50/12/44/1008501244.db2.gz ILJAJPJPGUNGKR-FZMZJTMJSA-N 2 1 322.434 0.545 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)C[N@H+](C)C(C)C)CC2)C1=O ZINC001499458869 1017941805 /nfs/dbraw/zinc/94/18/05/1017941805.db2.gz QQDHHVRFXKONEC-AWEZNQCLSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCC[C@H](C)O)C2)CC1 ZINC001499794762 1018080745 /nfs/dbraw/zinc/08/07/45/1018080745.db2.gz DCUYDLUDSNLRFZ-HNNXBMFYSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001497829769 1018454590 /nfs/dbraw/zinc/45/45/90/1018454590.db2.gz IZYBXXAIXBYBCN-ZBFHGGJFSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001497829769 1018454596 /nfs/dbraw/zinc/45/45/96/1018454596.db2.gz IZYBXXAIXBYBCN-ZBFHGGJFSA-N 2 1 317.437 0.155 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC#CCOC ZINC001480364944 1018466771 /nfs/dbraw/zinc/46/67/71/1018466771.db2.gz KALQNQADYPHHPF-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001498055567 1018618452 /nfs/dbraw/zinc/61/84/52/1018618452.db2.gz TUJXSSYWVZJBHG-JYJNAYRXSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001498055567 1018618458 /nfs/dbraw/zinc/61/84/58/1018618458.db2.gz TUJXSSYWVZJBHG-JYJNAYRXSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314406 1018940826 /nfs/dbraw/zinc/94/08/26/1018940826.db2.gz SFCBHUAKFUDDEC-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314406 1018940842 /nfs/dbraw/zinc/94/08/42/1018940842.db2.gz SFCBHUAKFUDDEC-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314406 1018940856 /nfs/dbraw/zinc/94/08/56/1018940856.db2.gz SFCBHUAKFUDDEC-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314406 1018940869 /nfs/dbraw/zinc/94/08/69/1018940869.db2.gz SFCBHUAKFUDDEC-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001501359495 1019091038 /nfs/dbraw/zinc/09/10/38/1019091038.db2.gz DKNBPXOLCOSLQF-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001501359495 1019091054 /nfs/dbraw/zinc/09/10/54/1019091054.db2.gz DKNBPXOLCOSLQF-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001501359495 1019091071 /nfs/dbraw/zinc/09/10/71/1019091071.db2.gz DKNBPXOLCOSLQF-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001496915175 1019759405 /nfs/dbraw/zinc/75/94/05/1019759405.db2.gz XDCIKCJMHQOFRE-JKSUJKDBSA-N 2 1 307.438 0.607 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](CO)c1ccccc1 ZINC000267428126 238225175 /nfs/dbraw/zinc/22/51/75/238225175.db2.gz LYWHHBLPYDHFIH-INIZCTEOSA-N 2 1 320.437 0.389 20 30 DCEDMP C=CCOc1ccccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594737031 396503022 /nfs/dbraw/zinc/50/30/22/396503022.db2.gz WBDGOPXLFATIIC-HUUCEWRRSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1ccccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594737031 396503026 /nfs/dbraw/zinc/50/30/26/396503026.db2.gz WBDGOPXLFATIIC-HUUCEWRRSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1ccccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594737033 396503412 /nfs/dbraw/zinc/50/34/12/396503412.db2.gz WBDGOPXLFATIIC-LSDHHAIUSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1ccccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594737033 396503415 /nfs/dbraw/zinc/50/34/15/396503415.db2.gz WBDGOPXLFATIIC-LSDHHAIUSA-N 2 1 301.390 0.995 20 30 DCEDMP C[C@@H]1C[NH+]=C(NCCCN2CCN(c3cc[nH+]cc3)CC2)N1 ZINC000284970213 415605143 /nfs/dbraw/zinc/60/51/43/415605143.db2.gz GCIDOPGPUZVHGW-CQSZACIVSA-N 2 1 302.426 0.531 20 30 DCEDMP CC1(C)[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)[C@H]2CCO[C@@H]21 ZINC000304748690 416103211 /nfs/dbraw/zinc/10/32/11/416103211.db2.gz HHEMIZLDGZOIGW-MCIONIFRSA-N 2 1 310.442 0.427 20 30 DCEDMP CC1(C)[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)[C@H]2CCO[C@H]21 ZINC000304748694 416103383 /nfs/dbraw/zinc/10/33/83/416103383.db2.gz HHEMIZLDGZOIGW-MGPQQGTHSA-N 2 1 310.442 0.427 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339438164 416157782 /nfs/dbraw/zinc/15/77/82/416157782.db2.gz ASIXAIRLDWTZGK-BBRMVZONSA-N 2 1 308.426 0.804 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000342103718 416282886 /nfs/dbraw/zinc/28/28/86/416282886.db2.gz JMWYNFJHBUIGSO-ZDUSSCGKSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000491651891 416609313 /nfs/dbraw/zinc/60/93/13/416609313.db2.gz JTSFKFIVVZEBTH-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000491651891 416609316 /nfs/dbraw/zinc/60/93/16/416609316.db2.gz JTSFKFIVVZEBTH-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000491651891 416609319 /nfs/dbraw/zinc/60/93/19/416609319.db2.gz JTSFKFIVVZEBTH-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP CC#CC[C@@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000641769336 416994465 /nfs/dbraw/zinc/99/44/65/416994465.db2.gz TUHFTWMAMWRHET-HNNXBMFYSA-N 2 1 303.410 0.092 20 30 DCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894694 417068647 /nfs/dbraw/zinc/06/86/47/417068647.db2.gz OLZYOJYJVCTARR-HNNXBMFYSA-N 2 1 307.438 0.874 20 30 DCEDMP C[C@]12COC[C@@H]1C[NH+](CC#CC[N@@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702906 418357340 /nfs/dbraw/zinc/35/73/40/418357340.db2.gz IJBPAPKIXQSATJ-XSLAGTTESA-N 2 1 304.434 0.926 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306737 275383961 /nfs/dbraw/zinc/38/39/61/275383961.db2.gz HRZRXYNHTMSUKQ-XHSDSOJGSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892964 337022241 /nfs/dbraw/zinc/02/22/41/337022241.db2.gz WLYRFLQTYCDVPB-JKSUJKDBSA-N 2 1 306.454 0.225 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892964 337022242 /nfs/dbraw/zinc/02/22/42/337022242.db2.gz WLYRFLQTYCDVPB-JKSUJKDBSA-N 2 1 306.454 0.225 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892963 337022343 /nfs/dbraw/zinc/02/23/43/337022343.db2.gz WLYRFLQTYCDVPB-HZPDHXFCSA-N 2 1 306.454 0.225 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892963 337022344 /nfs/dbraw/zinc/02/23/44/337022344.db2.gz WLYRFLQTYCDVPB-HZPDHXFCSA-N 2 1 306.454 0.225 20 30 DCEDMP C[NH+]=C(NCC1(O)CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262761760 337621013 /nfs/dbraw/zinc/62/10/13/337621013.db2.gz DLRZZOAQYGECSD-HNNXBMFYSA-N 2 1 324.469 0.521 20 30 DCEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000267433908 533990204 /nfs/dbraw/zinc/99/02/04/533990204.db2.gz NIEGNRTXTJHXFC-CYBMUJFWSA-N 2 1 321.425 0.676 20 30 DCEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCC(O)CC1 ZINC000262830711 526375378 /nfs/dbraw/zinc/37/53/78/526375378.db2.gz ZSOKVWLUSBTOSN-AWEZNQCLSA-N 2 1 300.472 0.456 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C(C)(C)C1 ZINC000977654348 660411137 /nfs/dbraw/zinc/41/11/37/660411137.db2.gz KSAUWMXTYBZNCN-MRXNPFEDSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)CC2(C)C)CC1 ZINC000977660293 660412246 /nfs/dbraw/zinc/41/22/46/660412246.db2.gz YRDUFGCTBXICJT-MRXNPFEDSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001027686838 660620431 /nfs/dbraw/zinc/62/04/31/660620431.db2.gz XWBFFYDNAWGFNB-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000981689307 661195445 /nfs/dbraw/zinc/19/54/45/661195445.db2.gz RUXMOGNJCKDCQI-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981689307 661195446 /nfs/dbraw/zinc/19/54/46/661195446.db2.gz RUXMOGNJCKDCQI-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981689307 661195447 /nfs/dbraw/zinc/19/54/47/661195447.db2.gz RUXMOGNJCKDCQI-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981689307 661195448 /nfs/dbraw/zinc/19/54/48/661195448.db2.gz RUXMOGNJCKDCQI-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981689307 661195449 /nfs/dbraw/zinc/19/54/49/661195449.db2.gz RUXMOGNJCKDCQI-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841563 661231836 /nfs/dbraw/zinc/23/18/36/661231836.db2.gz GKJCOEBUGJAMBL-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841563 661231837 /nfs/dbraw/zinc/23/18/37/661231837.db2.gz GKJCOEBUGJAMBL-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841563 661231838 /nfs/dbraw/zinc/23/18/38/661231838.db2.gz GKJCOEBUGJAMBL-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841563 661231839 /nfs/dbraw/zinc/23/18/39/661231839.db2.gz GKJCOEBUGJAMBL-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)CCc3nccn3C)C2)C1 ZINC000981909581 661245161 /nfs/dbraw/zinc/24/51/61/661245161.db2.gz KGXWYILSWMJODU-UHFFFAOYSA-N 2 1 300.406 0.910 20 30 DCEDMP C#CCN1CCCC2(CN(C(=O)CCc3nccn3C)C2)C1 ZINC000981909581 661245163 /nfs/dbraw/zinc/24/51/63/661245163.db2.gz KGXWYILSWMJODU-UHFFFAOYSA-N 2 1 300.406 0.910 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022452508 657935424 /nfs/dbraw/zinc/93/54/24/657935424.db2.gz NEXHUVLRQGTLMQ-HJTLVLNNSA-N 2 1 305.422 0.663 20 30 DCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023550903 657978671 /nfs/dbraw/zinc/97/86/71/657978671.db2.gz PPJWYYOOUVPEJT-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550903 657978674 /nfs/dbraw/zinc/97/86/74/657978674.db2.gz PPJWYYOOUVPEJT-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550903 657978681 /nfs/dbraw/zinc/97/86/81/657978681.db2.gz PPJWYYOOUVPEJT-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023553214 657981432 /nfs/dbraw/zinc/98/14/32/657981432.db2.gz XRGVHSNWQZFWOX-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023553214 657981435 /nfs/dbraw/zinc/98/14/35/657981435.db2.gz XRGVHSNWQZFWOX-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970192193 658720587 /nfs/dbraw/zinc/72/05/87/658720587.db2.gz YDEWCYMDJWKCRL-RZZRIIHNSA-N 2 1 305.422 0.472 20 30 DCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970325310 658863679 /nfs/dbraw/zinc/86/36/79/658863679.db2.gz DBIVVCWPPVMVJV-GDBMZVCRSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970325310 658863683 /nfs/dbraw/zinc/86/36/83/658863683.db2.gz DBIVVCWPPVMVJV-GDBMZVCRSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999350738 665634247 /nfs/dbraw/zinc/63/42/47/665634247.db2.gz ATWYBLJOXMIEOI-GJZGRUSLSA-N 2 1 303.410 0.027 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnon2)C1 ZINC000999392674 665640519 /nfs/dbraw/zinc/64/05/19/665640519.db2.gz SFRUEIDNPOILSG-HIFRSBDPSA-N 2 1 317.393 0.248 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]12 ZINC001026378467 659260606 /nfs/dbraw/zinc/26/06/06/659260606.db2.gz XOPBIYNRYQNTRB-OWCLPIDISA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999767466 665681541 /nfs/dbraw/zinc/68/15/41/665681541.db2.gz YBRZQEAKTBHUBQ-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCN1C[C@H](NC(=O)[C@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000974750061 659657145 /nfs/dbraw/zinc/65/71/45/659657145.db2.gz HXDGDBGIUCNYDB-ZFWWWQNUSA-N 2 1 300.406 0.905 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645398 661717079 /nfs/dbraw/zinc/71/70/79/661717079.db2.gz DNXFFOVYSFXFLY-CYBMUJFWSA-N 2 1 304.394 0.811 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645398 661717081 /nfs/dbraw/zinc/71/70/81/661717081.db2.gz DNXFFOVYSFXFLY-CYBMUJFWSA-N 2 1 304.394 0.811 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699519 661766709 /nfs/dbraw/zinc/76/67/09/661766709.db2.gz ZLQJGGQKJTXYOG-VUGNNNGISA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028699519 661766711 /nfs/dbraw/zinc/76/67/11/661766711.db2.gz ZLQJGGQKJTXYOG-VUGNNNGISA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028699519 661766712 /nfs/dbraw/zinc/76/67/12/661766712.db2.gz ZLQJGGQKJTXYOG-VUGNNNGISA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758249 661808791 /nfs/dbraw/zinc/80/87/91/661808791.db2.gz PLSHYZIGYUQFOI-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028758249 661808793 /nfs/dbraw/zinc/80/87/93/661808793.db2.gz PLSHYZIGYUQFOI-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@H](C)COC)C2)CC1 ZINC001029002874 661930279 /nfs/dbraw/zinc/93/02/79/661930279.db2.gz CWKIAJWPCGSPMF-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000901322751 663340337 /nfs/dbraw/zinc/34/03/37/663340337.db2.gz RCVQBZNPOVVBLM-CQSZACIVSA-N 2 1 311.426 0.590 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000901322751 663340338 /nfs/dbraw/zinc/34/03/38/663340338.db2.gz RCVQBZNPOVVBLM-CQSZACIVSA-N 2 1 311.426 0.590 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC1CN(CC2CCOCC2)C1 ZINC001030463672 664553766 /nfs/dbraw/zinc/55/37/66/664553766.db2.gz SXQHYUFOIDDPKO-INIZCTEOSA-N 2 1 305.422 0.311 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000170912905 664595624 /nfs/dbraw/zinc/59/56/24/664595624.db2.gz JZVMHFKPKIHFSY-CQSZACIVSA-N 2 1 311.474 0.486 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000491766643 664716185 /nfs/dbraw/zinc/71/61/85/664716185.db2.gz FWASLJJFGNXMPV-GJZGRUSLSA-N 2 1 308.426 0.056 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000914161158 664756354 /nfs/dbraw/zinc/75/63/54/664756354.db2.gz RUIQGQOKQVEUDH-AWEZNQCLSA-N 2 1 304.438 0.868 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001266619400 1157487763 /nfs/dbraw/zinc/48/77/63/1157487763.db2.gz LJOWGLNKKLQENB-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000732307552 664913050 /nfs/dbraw/zinc/91/30/50/664913050.db2.gz KDJNDKDUWPVSAA-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000732307552 664913051 /nfs/dbraw/zinc/91/30/51/664913051.db2.gz KDJNDKDUWPVSAA-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CCN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031730151 665360187 /nfs/dbraw/zinc/36/01/87/665360187.db2.gz FQCKHLVEOWVWPQ-KRWDZBQOSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031730151 665360189 /nfs/dbraw/zinc/36/01/89/665360189.db2.gz FQCKHLVEOWVWPQ-KRWDZBQOSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031730151 665360191 /nfs/dbraw/zinc/36/01/91/665360191.db2.gz FQCKHLVEOWVWPQ-KRWDZBQOSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941564226 666023129 /nfs/dbraw/zinc/02/31/29/666023129.db2.gz CXPDIWLOEHFPOJ-UHFFFAOYSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941564226 666023130 /nfs/dbraw/zinc/02/31/30/666023130.db2.gz CXPDIWLOEHFPOJ-UHFFFAOYSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941641214 666036036 /nfs/dbraw/zinc/03/60/36/666036036.db2.gz ZZPRKCMBWGKIAL-UHFFFAOYSA-N 2 1 318.465 0.487 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001003007320 666260534 /nfs/dbraw/zinc/26/05/34/666260534.db2.gz GFIBFAQBKWSLRJ-QGZVFWFLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996186001 666746283 /nfs/dbraw/zinc/74/62/83/666746283.db2.gz IFRHPMCBYULBKC-HUUCEWRRSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996186001 666746285 /nfs/dbraw/zinc/74/62/85/666746285.db2.gz IFRHPMCBYULBKC-HUUCEWRRSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001005518471 666943621 /nfs/dbraw/zinc/94/36/21/666943621.db2.gz LLFYWGNDEIZYJC-ZBFHGGJFSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001005518471 666943624 /nfs/dbraw/zinc/94/36/24/666943624.db2.gz LLFYWGNDEIZYJC-ZBFHGGJFSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034208721 666955390 /nfs/dbraw/zinc/95/53/90/666955390.db2.gz DVVKRRNWUAOIOW-HNNXBMFYSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001034654042 667091398 /nfs/dbraw/zinc/09/13/98/667091398.db2.gz WOLLSELWLHKNEH-FPCVCCKLSA-N 2 1 305.422 0.500 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000736233543 667125515 /nfs/dbraw/zinc/12/55/15/667125515.db2.gz XJJHEMFXNOOAIC-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000736233543 667125517 /nfs/dbraw/zinc/12/55/17/667125517.db2.gz XJJHEMFXNOOAIC-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP N#Cc1ccc(C[NH+]2CCC(N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)CC2)o1 ZINC000863643270 667165529 /nfs/dbraw/zinc/16/55/29/667165529.db2.gz JCVXUXXZFYNLBK-LSDHHAIUSA-N 2 1 316.361 0.908 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCOC1 ZINC001032453873 667277804 /nfs/dbraw/zinc/27/78/04/667277804.db2.gz SVKPPMQSZPQALI-QZWWFDLISA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCOC1 ZINC001032453873 667277806 /nfs/dbraw/zinc/27/78/06/667277806.db2.gz SVKPPMQSZPQALI-QZWWFDLISA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032453873 667277807 /nfs/dbraw/zinc/27/78/07/667277807.db2.gz SVKPPMQSZPQALI-QZWWFDLISA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032453873 667277809 /nfs/dbraw/zinc/27/78/09/667277809.db2.gz SVKPPMQSZPQALI-QZWWFDLISA-N 2 1 317.433 0.406 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC001035712672 667402712 /nfs/dbraw/zinc/40/27/12/667402712.db2.gz KOWZSIIALPNQEH-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000884161331 667486611 /nfs/dbraw/zinc/48/66/11/667486611.db2.gz COYRCSBSGHXBIG-JKSUJKDBSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000884161331 667486613 /nfs/dbraw/zinc/48/66/13/667486613.db2.gz COYRCSBSGHXBIG-JKSUJKDBSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000884161331 667486615 /nfs/dbraw/zinc/48/66/15/667486615.db2.gz COYRCSBSGHXBIG-JKSUJKDBSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000884161331 667486617 /nfs/dbraw/zinc/48/66/17/667486617.db2.gz COYRCSBSGHXBIG-JKSUJKDBSA-N 2 1 304.438 0.868 20 30 DCEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515973 667551609 /nfs/dbraw/zinc/55/16/09/667551609.db2.gz PHYKTUZQZKFRFU-ARFHVFGLSA-N 2 1 301.390 0.839 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000876782966 668510695 /nfs/dbraw/zinc/51/06/95/668510695.db2.gz XBYCSKJUBJOBNJ-WCQYABFASA-N 2 1 302.850 0.456 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000948070566 670053444 /nfs/dbraw/zinc/05/34/44/670053444.db2.gz QRJAEHBRBZAGKG-GOEBONIOSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948448707 670115985 /nfs/dbraw/zinc/11/59/85/670115985.db2.gz HENGOZRTIVSVFM-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948448707 670115986 /nfs/dbraw/zinc/11/59/86/670115986.db2.gz HENGOZRTIVSVFM-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCO)CC1 ZINC000948448707 670115988 /nfs/dbraw/zinc/11/59/88/670115988.db2.gz HENGOZRTIVSVFM-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCO)CC1 ZINC000948448707 670115990 /nfs/dbraw/zinc/11/59/90/670115990.db2.gz HENGOZRTIVSVFM-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC000948825695 670187815 /nfs/dbraw/zinc/18/78/15/670187815.db2.gz NCLSGJSFKXEYCN-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001006437742 670202001 /nfs/dbraw/zinc/20/20/01/670202001.db2.gz RZKSTMLWFOFZMX-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006437742 670202004 /nfs/dbraw/zinc/20/20/04/670202004.db2.gz RZKSTMLWFOFZMX-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842491 670214695 /nfs/dbraw/zinc/21/46/95/670214695.db2.gz QBZUPBODKWADKL-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842491 670214697 /nfs/dbraw/zinc/21/46/97/670214697.db2.gz QBZUPBODKWADKL-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)CC[C@@H]21 ZINC001036902549 670270795 /nfs/dbraw/zinc/27/07/95/670270795.db2.gz MERPQXUMOIFURZ-ROUUACIJSA-N 2 1 313.445 0.888 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000804643147 670302774 /nfs/dbraw/zinc/30/27/74/670302774.db2.gz DTDYTVXATMLCSX-GOOCMWNKSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCCn1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)nn1 ZINC000850117917 670882195 /nfs/dbraw/zinc/88/21/95/670882195.db2.gz AZBFWJSFQPYLDF-UHFFFAOYSA-N 2 1 306.458 0.971 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001020250883 693745961 /nfs/dbraw/zinc/74/59/61/693745961.db2.gz VSSOLHOKSQRFCT-QAETUUGQSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001020250883 693745964 /nfs/dbraw/zinc/74/59/64/693745964.db2.gz VSSOLHOKSQRFCT-QAETUUGQSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC#C)CC1 ZINC001024812002 693836063 /nfs/dbraw/zinc/83/60/63/693836063.db2.gz IUORBMQZOHLAIG-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP COc1ccc(O)c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000304743644 685211936 /nfs/dbraw/zinc/21/19/36/685211936.db2.gz DGECTRLOTADDHT-UHFFFAOYSA-N 2 1 322.409 0.527 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000958199280 687428366 /nfs/dbraw/zinc/42/83/66/687428366.db2.gz GLKXRSUJSOEFSH-XJKSGUPXSA-N 2 1 314.389 0.851 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214497 687446127 /nfs/dbraw/zinc/44/61/27/687446127.db2.gz IIIZJNGQDYTMHY-LSDHHAIUSA-N 2 1 307.438 0.600 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958261773 687490359 /nfs/dbraw/zinc/49/03/59/687490359.db2.gz AQGUNGOFRCYNIO-ZBFHGGJFSA-N 2 1 312.373 0.380 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958262113 687490697 /nfs/dbraw/zinc/49/06/97/687490697.db2.gz GXRXYDWLICCGCE-ZBFHGGJFSA-N 2 1 314.389 0.933 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959952316 688267672 /nfs/dbraw/zinc/26/76/72/688267672.db2.gz IZTQDXKYNGVVPJ-FOLVSLTJSA-N 2 1 315.421 0.128 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962011805 688789539 /nfs/dbraw/zinc/78/95/39/688789539.db2.gz RALHWMQYZQIMFZ-ZSHCYNCHSA-N 2 1 315.421 0.128 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001009628473 691077493 /nfs/dbraw/zinc/07/74/93/691077493.db2.gz OVBNZLVQUASRGO-QGZVFWFLSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711631 692077471 /nfs/dbraw/zinc/07/74/71/692077471.db2.gz OZMZTBSMNUYVNM-GDBMZVCRSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711631 692077474 /nfs/dbraw/zinc/07/74/74/692077474.db2.gz OZMZTBSMNUYVNM-GDBMZVCRSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711631 692077478 /nfs/dbraw/zinc/07/74/78/692077478.db2.gz OZMZTBSMNUYVNM-GDBMZVCRSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711631 692077481 /nfs/dbraw/zinc/07/74/81/692077481.db2.gz OZMZTBSMNUYVNM-GDBMZVCRSA-N 2 1 305.422 0.454 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322175 692263472 /nfs/dbraw/zinc/26/34/72/692263472.db2.gz ASEIBMLGLCKLMY-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015322175 692263477 /nfs/dbraw/zinc/26/34/77/692263477.db2.gz ASEIBMLGLCKLMY-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015322175 692263482 /nfs/dbraw/zinc/26/34/82/692263482.db2.gz ASEIBMLGLCKLMY-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016686419 692747229 /nfs/dbraw/zinc/74/72/29/692747229.db2.gz YEFGGRDDYVFECK-KFWWJZLASA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016686419 692747230 /nfs/dbraw/zinc/74/72/30/692747230.db2.gz YEFGGRDDYVFECK-KFWWJZLASA-N 2 1 307.438 0.862 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016987528 692821870 /nfs/dbraw/zinc/82/18/70/692821870.db2.gz VFRUTKVJWFNTGS-CABCVRRESA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016987528 692821876 /nfs/dbraw/zinc/82/18/76/692821876.db2.gz VFRUTKVJWFNTGS-CABCVRRESA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC001073457182 694728892 /nfs/dbraw/zinc/72/88/92/694728892.db2.gz DWMNAMQNCCQBFQ-UHFFFAOYSA-N 2 1 313.445 0.889 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001073741838 694775678 /nfs/dbraw/zinc/77/56/78/694775678.db2.gz YDSSLMCKMPFXPF-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073741838 694775679 /nfs/dbraw/zinc/77/56/79/694775679.db2.gz YDSSLMCKMPFXPF-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073741838 694775680 /nfs/dbraw/zinc/77/56/80/694775680.db2.gz YDSSLMCKMPFXPF-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073741838 694775681 /nfs/dbraw/zinc/77/56/81/694775681.db2.gz YDSSLMCKMPFXPF-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001570986511 1162662001 /nfs/dbraw/zinc/66/20/01/1162662001.db2.gz IOJSTNKTQHBQMY-CABCVRRESA-N 2 1 306.410 0.973 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001571328704 1162702242 /nfs/dbraw/zinc/70/22/42/1162702242.db2.gz DIYMZCPCPOTIJO-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001571328704 1162702247 /nfs/dbraw/zinc/70/22/47/1162702247.db2.gz DIYMZCPCPOTIJO-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001571328704 1162702250 /nfs/dbraw/zinc/70/22/50/1162702250.db2.gz DIYMZCPCPOTIJO-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001571487317 1162779094 /nfs/dbraw/zinc/77/90/94/1162779094.db2.gz PTTGUCCEJAEZGU-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001571593102 1162837545 /nfs/dbraw/zinc/83/75/45/1162837545.db2.gz YTKHNQUPYOTXFW-HNNXBMFYSA-N 2 1 306.410 0.404 20 30 DCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001571606616 1162856612 /nfs/dbraw/zinc/85/66/12/1162856612.db2.gz RLDVGEJEWKBBDE-GDBMZVCRSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001571606616 1162856616 /nfs/dbraw/zinc/85/66/16/1162856616.db2.gz RLDVGEJEWKBBDE-GDBMZVCRSA-N 2 1 320.437 0.691 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001571606749 1162856968 /nfs/dbraw/zinc/85/69/68/1162856968.db2.gz UQMKQCORBVIYSR-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2coc(C)n2)CC1 ZINC001772517060 1157408641 /nfs/dbraw/zinc/40/86/41/1157408641.db2.gz SZPMFUOTDYINSZ-ZDUSSCGKSA-N 2 1 318.421 0.923 20 30 DCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001571664642 1162884217 /nfs/dbraw/zinc/88/42/17/1162884217.db2.gz PNOKVWGKCBNDGQ-QQFBHYJXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CCF)CC1 ZINC001755807805 1158286699 /nfs/dbraw/zinc/28/66/99/1158286699.db2.gz LGMDTUMUXDNATN-OAHLLOKOSA-N 2 1 313.417 0.052 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCF)CC1 ZINC001755807805 1158286701 /nfs/dbraw/zinc/28/67/01/1158286701.db2.gz LGMDTUMUXDNATN-OAHLLOKOSA-N 2 1 313.417 0.052 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001565948806 1159929795 /nfs/dbraw/zinc/92/97/95/1159929795.db2.gz PFQMVXIUHCFUPO-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001566652603 1160112463 /nfs/dbraw/zinc/11/24/63/1160112463.db2.gz UELDQJPVPLHIRI-UHFFFAOYSA-N 2 1 320.481 0.475 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001566965969 1160195977 /nfs/dbraw/zinc/19/59/77/1160195977.db2.gz PHDPIAXKLGUQRJ-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001567308000 1160305314 /nfs/dbraw/zinc/30/53/14/1160305314.db2.gz PRCWDEIHSNFYFZ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001567308000 1160305319 /nfs/dbraw/zinc/30/53/19/1160305319.db2.gz PRCWDEIHSNFYFZ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567308000 1160305327 /nfs/dbraw/zinc/30/53/27/1160305327.db2.gz PRCWDEIHSNFYFZ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001567308000 1160305333 /nfs/dbraw/zinc/30/53/33/1160305333.db2.gz PRCWDEIHSNFYFZ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCOCC1 ZINC001567511396 1160402394 /nfs/dbraw/zinc/40/23/94/1160402394.db2.gz VRKQCQFLWNXBFN-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCOCC1 ZINC001567511396 1160402397 /nfs/dbraw/zinc/40/23/97/1160402397.db2.gz VRKQCQFLWNXBFN-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC#CCOC)C2)C1 ZINC001569481336 1161073052 /nfs/dbraw/zinc/07/30/52/1161073052.db2.gz UHXJWJOKYIBFGA-GOSISDBHSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC#CCOC)C2)C1 ZINC001569481336 1161073055 /nfs/dbraw/zinc/07/30/55/1161073055.db2.gz UHXJWJOKYIBFGA-GOSISDBHSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CC#CCOC)C2)C1 ZINC001569481336 1161073061 /nfs/dbraw/zinc/07/30/61/1161073061.db2.gz UHXJWJOKYIBFGA-GOSISDBHSA-N 2 1 321.465 0.902 20 30 DCEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001569748786 1161220944 /nfs/dbraw/zinc/22/09/44/1161220944.db2.gz IWGYJVZTSIMOGR-UXLLHSPISA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001569748786 1161220949 /nfs/dbraw/zinc/22/09/49/1161220949.db2.gz IWGYJVZTSIMOGR-UXLLHSPISA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001569748786 1161220955 /nfs/dbraw/zinc/22/09/55/1161220955.db2.gz IWGYJVZTSIMOGR-UXLLHSPISA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC1(CC(=O)NC2CCN(c3[nH+]ccn3C)CC2)C[NH2+]C1 ZINC001574881025 1163784019 /nfs/dbraw/zinc/78/40/19/1163784019.db2.gz XMFRDKODPSVGLK-UHFFFAOYSA-N 2 1 303.410 0.671 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001583793489 1166286325 /nfs/dbraw/zinc/28/63/25/1166286325.db2.gz ISVFFRQBTJJTAU-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[N@H+](C)CCC ZINC001583793489 1166286332 /nfs/dbraw/zinc/28/63/32/1166286332.db2.gz ISVFFRQBTJJTAU-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001583793489 1166286341 /nfs/dbraw/zinc/28/63/41/1166286341.db2.gz ISVFFRQBTJJTAU-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001583793489 1166286352 /nfs/dbraw/zinc/28/63/52/1166286352.db2.gz ISVFFRQBTJJTAU-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001661157492 1174102379 /nfs/dbraw/zinc/10/23/79/1174102379.db2.gz TUPLBKCGLKJMOC-BHYGNILZSA-N 2 1 321.465 0.851 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001661881071 1174166404 /nfs/dbraw/zinc/16/64/04/1174166404.db2.gz RWTPRLBKPQMPMU-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001661881071 1174166408 /nfs/dbraw/zinc/16/64/08/1174166408.db2.gz RWTPRLBKPQMPMU-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001662792109 1174241889 /nfs/dbraw/zinc/24/18/89/1174241889.db2.gz VIDJHLUQTYUMMN-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[N@@H+](CC)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001663396063 1174295617 /nfs/dbraw/zinc/29/56/17/1174295617.db2.gz FNRAXDZRFMMZNU-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001665072050 1174478581 /nfs/dbraw/zinc/47/85/81/1174478581.db2.gz XBBWGCDZWJJVBB-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001665072050 1174478584 /nfs/dbraw/zinc/47/85/84/1174478584.db2.gz XBBWGCDZWJJVBB-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001665412865 1174517840 /nfs/dbraw/zinc/51/78/40/1174517840.db2.gz GZYDWPNATLHCOG-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001665412865 1174517846 /nfs/dbraw/zinc/51/78/46/1174517846.db2.gz GZYDWPNATLHCOG-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001665412865 1174517852 /nfs/dbraw/zinc/51/78/52/1174517852.db2.gz GZYDWPNATLHCOG-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001665412865 1174517857 /nfs/dbraw/zinc/51/78/57/1174517857.db2.gz GZYDWPNATLHCOG-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001667306438 1174675330 /nfs/dbraw/zinc/67/53/30/1174675330.db2.gz FJBQEMHDQAMJNI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001667306438 1174675333 /nfs/dbraw/zinc/67/53/33/1174675333.db2.gz FJBQEMHDQAMJNI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CCO1 ZINC001673274790 1175183839 /nfs/dbraw/zinc/18/38/39/1175183839.db2.gz ZKCPNGNIWZEJMU-GJZGRUSLSA-N 2 1 318.421 0.847 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001673677022 1175223489 /nfs/dbraw/zinc/22/34/89/1175223489.db2.gz ZPSFMAIFRBSQBA-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCC=C)CC1 ZINC001674080340 1175251233 /nfs/dbraw/zinc/25/12/33/1175251233.db2.gz MEJWSHPPIMONCW-INIZCTEOSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCC=C)CC1 ZINC001674080340 1175251240 /nfs/dbraw/zinc/25/12/40/1175251240.db2.gz MEJWSHPPIMONCW-INIZCTEOSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCn1cccn1 ZINC001674942658 1175309246 /nfs/dbraw/zinc/30/92/46/1175309246.db2.gz DPEFLOSLVWHRNP-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCn1cccn1 ZINC001674942658 1175309252 /nfs/dbraw/zinc/30/92/52/1175309252.db2.gz DPEFLOSLVWHRNP-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCn1cccn1 ZINC001674942658 1175309258 /nfs/dbraw/zinc/30/92/58/1175309258.db2.gz DPEFLOSLVWHRNP-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCn1cccn1 ZINC001674942658 1175309262 /nfs/dbraw/zinc/30/92/62/1175309262.db2.gz DPEFLOSLVWHRNP-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1OCC ZINC001691752763 1175311696 /nfs/dbraw/zinc/31/16/96/1175311696.db2.gz KBXCSLZLJMHVGZ-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001676079408 1175417678 /nfs/dbraw/zinc/41/76/78/1175417678.db2.gz PFDRQRWZZYZMSF-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001676079408 1175417682 /nfs/dbraw/zinc/41/76/82/1175417682.db2.gz PFDRQRWZZYZMSF-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001676079408 1175417685 /nfs/dbraw/zinc/41/76/85/1175417685.db2.gz PFDRQRWZZYZMSF-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCC(C)(C)C ZINC001676541434 1175458005 /nfs/dbraw/zinc/45/80/05/1175458005.db2.gz QPZIJMXTIVIGMJ-CABCVRRESA-N 2 1 309.454 0.587 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCC(C)(C)C ZINC001676541434 1175458009 /nfs/dbraw/zinc/45/80/09/1175458009.db2.gz QPZIJMXTIVIGMJ-CABCVRRESA-N 2 1 309.454 0.587 20 30 DCEDMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC#CC[NH+](C)C ZINC001676929852 1175504617 /nfs/dbraw/zinc/50/46/17/1175504617.db2.gz DQZIWQJRIRWULW-OAHLLOKOSA-N 2 1 322.453 0.446 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001677448418 1175564542 /nfs/dbraw/zinc/56/45/42/1175564542.db2.gz IEARMASOYAPMLY-NFOMZHRRSA-N 2 1 322.453 0.044 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001677511400 1175572537 /nfs/dbraw/zinc/57/25/37/1175572537.db2.gz RMGATQVJSICANG-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001689141827 1176708141 /nfs/dbraw/zinc/70/81/41/1176708141.db2.gz DNNQFZOXWUHLSH-UHFFFAOYSA-N 2 1 319.409 0.252 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001689246469 1176763349 /nfs/dbraw/zinc/76/33/49/1176763349.db2.gz LWWYVBIAWKYYDG-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC#CCOC ZINC001689806112 1177062446 /nfs/dbraw/zinc/06/24/46/1177062446.db2.gz YDLBVBGKHWLPSU-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)CC#CCOC ZINC001689806112 1177062448 /nfs/dbraw/zinc/06/24/48/1177062448.db2.gz YDLBVBGKHWLPSU-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)CC#CCOC ZINC001689806112 1177062457 /nfs/dbraw/zinc/06/24/57/1177062457.db2.gz YDLBVBGKHWLPSU-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001690049292 1177151872 /nfs/dbraw/zinc/15/18/72/1177151872.db2.gz KXWLLYNYOKKCNV-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001690049292 1177151875 /nfs/dbraw/zinc/15/18/75/1177151875.db2.gz KXWLLYNYOKKCNV-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001690049292 1177151877 /nfs/dbraw/zinc/15/18/77/1177151877.db2.gz KXWLLYNYOKKCNV-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001690049292 1177151879 /nfs/dbraw/zinc/15/18/79/1177151879.db2.gz KXWLLYNYOKKCNV-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690092085 1177169643 /nfs/dbraw/zinc/16/96/43/1177169643.db2.gz VMHNATLNNVIUBB-CVEARBPZSA-N 2 1 307.438 0.721 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001690627421 1177286150 /nfs/dbraw/zinc/28/61/50/1177286150.db2.gz XRADBBQNYSOWKT-CQSZACIVSA-N 2 1 306.410 0.751 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001691933484 1177386508 /nfs/dbraw/zinc/38/65/08/1177386508.db2.gz HBQXQQZDEQNKJQ-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001691933484 1177386511 /nfs/dbraw/zinc/38/65/11/1177386511.db2.gz HBQXQQZDEQNKJQ-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001691934850 1177386581 /nfs/dbraw/zinc/38/65/81/1177386581.db2.gz GAJJACIOMMJNNC-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001692095026 1177416288 /nfs/dbraw/zinc/41/62/88/1177416288.db2.gz MRYNIQMSUMIJHO-JKSUJKDBSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001692095026 1177416293 /nfs/dbraw/zinc/41/62/93/1177416293.db2.gz MRYNIQMSUMIJHO-JKSUJKDBSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001692095026 1177416296 /nfs/dbraw/zinc/41/62/96/1177416296.db2.gz MRYNIQMSUMIJHO-JKSUJKDBSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001692245151 1177460144 /nfs/dbraw/zinc/46/01/44/1177460144.db2.gz MCJGTUPZLIIKJJ-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001692245151 1177460150 /nfs/dbraw/zinc/46/01/50/1177460150.db2.gz MCJGTUPZLIIKJJ-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001692245151 1177460156 /nfs/dbraw/zinc/46/01/56/1177460156.db2.gz MCJGTUPZLIIKJJ-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001692401775 1177515893 /nfs/dbraw/zinc/51/58/93/1177515893.db2.gz ASGZUTYMCPTFCQ-KGLIPLIRSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001692401775 1177515899 /nfs/dbraw/zinc/51/58/99/1177515899.db2.gz ASGZUTYMCPTFCQ-KGLIPLIRSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001692401775 1177515902 /nfs/dbraw/zinc/51/59/02/1177515902.db2.gz ASGZUTYMCPTFCQ-KGLIPLIRSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001692401775 1177515904 /nfs/dbraw/zinc/51/59/04/1177515904.db2.gz ASGZUTYMCPTFCQ-KGLIPLIRSA-N 2 1 322.453 0.352 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001699033841 1177780433 /nfs/dbraw/zinc/78/04/33/1177780433.db2.gz GMWQYXRTLFOVPR-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001699060029 1177811217 /nfs/dbraw/zinc/81/12/17/1177811217.db2.gz CAEDQRWIBIZTBP-HZPDHXFCSA-N 2 1 307.438 0.483 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001699757207 1178277084 /nfs/dbraw/zinc/27/70/84/1178277084.db2.gz OWBFGXVNFBHBFL-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001700006504 1178426918 /nfs/dbraw/zinc/42/69/18/1178426918.db2.gz RDAKUGJRBJVKJY-QGZVFWFLSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001700006504 1178426921 /nfs/dbraw/zinc/42/69/21/1178426921.db2.gz RDAKUGJRBJVKJY-QGZVFWFLSA-N 2 1 307.438 0.439 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001700278155 1178564816 /nfs/dbraw/zinc/56/48/16/1178564816.db2.gz NVNMUPZZHXVESV-KBPBESRZSA-N 2 1 310.442 0.065 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001700318812 1178580979 /nfs/dbraw/zinc/58/09/79/1178580979.db2.gz WOKFMOBQSAOCPI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001700318812 1178580981 /nfs/dbraw/zinc/58/09/81/1178580981.db2.gz WOKFMOBQSAOCPI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001700338765 1178586761 /nfs/dbraw/zinc/58/67/61/1178586761.db2.gz RMXYYHNHCVDCLS-OAHLLOKOSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001700462275 1178622884 /nfs/dbraw/zinc/62/28/84/1178622884.db2.gz DPODNIQAHMHFOM-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001700462275 1178622888 /nfs/dbraw/zinc/62/28/88/1178622888.db2.gz DPODNIQAHMHFOM-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001700462275 1178622890 /nfs/dbraw/zinc/62/28/90/1178622890.db2.gz DPODNIQAHMHFOM-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001700462275 1178622892 /nfs/dbraw/zinc/62/28/92/1178622892.db2.gz DPODNIQAHMHFOM-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001700848371 1178776318 /nfs/dbraw/zinc/77/63/18/1178776318.db2.gz DSTNKLUGSGKOMX-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001700963398 1178840213 /nfs/dbraw/zinc/84/02/13/1178840213.db2.gz CBVWZJVZADZXDD-HZPDHXFCSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001700963398 1178840222 /nfs/dbraw/zinc/84/02/22/1178840222.db2.gz CBVWZJVZADZXDD-HZPDHXFCSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001700963398 1178840232 /nfs/dbraw/zinc/84/02/32/1178840232.db2.gz CBVWZJVZADZXDD-HZPDHXFCSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001700963399 1178842205 /nfs/dbraw/zinc/84/22/05/1178842205.db2.gz CBVWZJVZADZXDD-JKSUJKDBSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001700963399 1178842214 /nfs/dbraw/zinc/84/22/14/1178842214.db2.gz CBVWZJVZADZXDD-JKSUJKDBSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001700963399 1178842224 /nfs/dbraw/zinc/84/22/24/1178842224.db2.gz CBVWZJVZADZXDD-JKSUJKDBSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCOC ZINC001701002592 1178867489 /nfs/dbraw/zinc/86/74/89/1178867489.db2.gz HCDBMZQKJNGIBV-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCOC ZINC001701002592 1178867499 /nfs/dbraw/zinc/86/74/99/1178867499.db2.gz HCDBMZQKJNGIBV-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CCOC ZINC001701002592 1178867500 /nfs/dbraw/zinc/86/75/00/1178867500.db2.gz HCDBMZQKJNGIBV-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CCOC ZINC001701002592 1178867506 /nfs/dbraw/zinc/86/75/06/1178867506.db2.gz HCDBMZQKJNGIBV-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001707213480 1180437313 /nfs/dbraw/zinc/43/73/13/1180437313.db2.gz PUAXWOPCPBRHQY-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001707213480 1180437316 /nfs/dbraw/zinc/43/73/16/1180437316.db2.gz PUAXWOPCPBRHQY-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001707213480 1180437318 /nfs/dbraw/zinc/43/73/18/1180437318.db2.gz PUAXWOPCPBRHQY-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001707211344 1180437472 /nfs/dbraw/zinc/43/74/72/1180437472.db2.gz CMXOQJDKKHSDOZ-MRXNPFEDSA-N 2 1 307.438 0.391 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713168817 1180705772 /nfs/dbraw/zinc/70/57/72/1180705772.db2.gz WSTRCLDSTZCKFB-LXTVHRRPSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001713519621 1180890690 /nfs/dbraw/zinc/89/06/90/1180890690.db2.gz FGOYRBQIBXLUOZ-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001713519621 1180890699 /nfs/dbraw/zinc/89/06/99/1180890699.db2.gz FGOYRBQIBXLUOZ-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713519621 1180890706 /nfs/dbraw/zinc/89/07/06/1180890706.db2.gz FGOYRBQIBXLUOZ-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713519621 1180890715 /nfs/dbraw/zinc/89/07/15/1180890715.db2.gz FGOYRBQIBXLUOZ-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCOCC)CC1 ZINC001713520329 1180891113 /nfs/dbraw/zinc/89/11/13/1180891113.db2.gz SGMZQEYQXDPZIQ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713536312 1180908838 /nfs/dbraw/zinc/90/88/38/1180908838.db2.gz VJXSYGYCSKOKQF-HNNXBMFYSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001713541626 1180910875 /nfs/dbraw/zinc/91/08/75/1180910875.db2.gz LYVJOIUKTZMPLJ-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nc(CC)no1 ZINC001713602154 1180959405 /nfs/dbraw/zinc/95/94/05/1180959405.db2.gz RKQLYZPXKFQVIF-ZDUSSCGKSA-N 2 1 319.409 0.278 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nc(CC)no1 ZINC001713602154 1180959408 /nfs/dbraw/zinc/95/94/08/1180959408.db2.gz RKQLYZPXKFQVIF-ZDUSSCGKSA-N 2 1 319.409 0.278 20 30 DCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001713684921 1181014255 /nfs/dbraw/zinc/01/42/55/1181014255.db2.gz RNQJPFUBLITXPU-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001713684921 1181014259 /nfs/dbraw/zinc/01/42/59/1181014259.db2.gz RNQJPFUBLITXPU-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001713751496 1181047919 /nfs/dbraw/zinc/04/79/19/1181047919.db2.gz WIFAIQOOXNMPTL-IRXDYDNUSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001713751496 1181047922 /nfs/dbraw/zinc/04/79/22/1181047922.db2.gz WIFAIQOOXNMPTL-IRXDYDNUSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001713751496 1181047927 /nfs/dbraw/zinc/04/79/27/1181047927.db2.gz WIFAIQOOXNMPTL-IRXDYDNUSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001713751496 1181047931 /nfs/dbraw/zinc/04/79/31/1181047931.db2.gz WIFAIQOOXNMPTL-IRXDYDNUSA-N 2 1 301.434 0.888 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713939286 1181161259 /nfs/dbraw/zinc/16/12/59/1181161259.db2.gz DOUBTZBSNFOTFJ-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001713939286 1181161263 /nfs/dbraw/zinc/16/12/63/1181161263.db2.gz DOUBTZBSNFOTFJ-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001713939286 1181161270 /nfs/dbraw/zinc/16/12/70/1181161270.db2.gz DOUBTZBSNFOTFJ-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714049782 1181223978 /nfs/dbraw/zinc/22/39/78/1181223978.db2.gz KRBNBTCAABZPKX-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001714049782 1181223987 /nfs/dbraw/zinc/22/39/87/1181223987.db2.gz KRBNBTCAABZPKX-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001714049782 1181223994 /nfs/dbraw/zinc/22/39/94/1181223994.db2.gz KRBNBTCAABZPKX-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001714179283 1181274305 /nfs/dbraw/zinc/27/43/05/1181274305.db2.gz ZOTMALZZSGARIW-QGZVFWFLSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCOCC1 ZINC001714654413 1181463538 /nfs/dbraw/zinc/46/35/38/1181463538.db2.gz ASGJJOHXPJGRSL-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCOCC1 ZINC001714654413 1181463542 /nfs/dbraw/zinc/46/35/42/1181463542.db2.gz ASGJJOHXPJGRSL-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1c(C)noc1C ZINC001714718474 1181502742 /nfs/dbraw/zinc/50/27/42/1181502742.db2.gz XUPHOIMIFHYABH-INIZCTEOSA-N 2 1 318.421 0.937 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1c(C)noc1C ZINC001714718474 1181502753 /nfs/dbraw/zinc/50/27/53/1181502753.db2.gz XUPHOIMIFHYABH-INIZCTEOSA-N 2 1 318.421 0.937 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714908265 1181597333 /nfs/dbraw/zinc/59/73/33/1181597333.db2.gz MCQBGHBXRQPIDE-OAHLLOKOSA-N 2 1 322.453 0.165 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC#CCOC ZINC001714996151 1181638238 /nfs/dbraw/zinc/63/82/38/1181638238.db2.gz WDBJIUIRNDNTTK-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001715617599 1181902605 /nfs/dbraw/zinc/90/26/05/1181902605.db2.gz VJVSKRWOOPPNEV-JKSUJKDBSA-N 2 1 303.406 0.379 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2coc(C)n2)CC1 ZINC001715961739 1182121536 /nfs/dbraw/zinc/12/15/36/1182121536.db2.gz FZZFNPWWIZLMNF-CYBMUJFWSA-N 2 1 318.421 0.923 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001716003493 1182139656 /nfs/dbraw/zinc/13/96/56/1182139656.db2.gz PJCCXTYRBZZNKO-HUUCEWRRSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001716003493 1182139660 /nfs/dbraw/zinc/13/96/60/1182139660.db2.gz PJCCXTYRBZZNKO-HUUCEWRRSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001716003493 1182139662 /nfs/dbraw/zinc/13/96/62/1182139662.db2.gz PJCCXTYRBZZNKO-HUUCEWRRSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001716003493 1182139666 /nfs/dbraw/zinc/13/96/66/1182139666.db2.gz PJCCXTYRBZZNKO-HUUCEWRRSA-N 2 1 322.453 0.115 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001716087261 1182182981 /nfs/dbraw/zinc/18/29/81/1182182981.db2.gz CEZKLCGJMLZZGZ-ZIAGYGMSSA-N 2 1 306.410 0.487 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001716092880 1182185987 /nfs/dbraw/zinc/18/59/87/1182185987.db2.gz FTKNWGXORPCAMN-HNNXBMFYSA-N 2 1 309.454 0.729 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCOC1 ZINC001716307487 1182322875 /nfs/dbraw/zinc/32/28/75/1182322875.db2.gz YIJCIYYAOHEAKQ-JNXQLMTMSA-N 2 1 305.422 0.383 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCOC1 ZINC001716307487 1182322882 /nfs/dbraw/zinc/32/28/82/1182322882.db2.gz YIJCIYYAOHEAKQ-JNXQLMTMSA-N 2 1 305.422 0.383 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001716443862 1182392517 /nfs/dbraw/zinc/39/25/17/1182392517.db2.gz NIJWOTDRCQQUOO-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001716495937 1182413381 /nfs/dbraw/zinc/41/33/81/1182413381.db2.gz LFCKXQJQPXLQMC-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001716495937 1182413388 /nfs/dbraw/zinc/41/33/88/1182413388.db2.gz LFCKXQJQPXLQMC-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716495937 1182413390 /nfs/dbraw/zinc/41/33/90/1182413390.db2.gz LFCKXQJQPXLQMC-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001716495937 1182413393 /nfs/dbraw/zinc/41/33/93/1182413393.db2.gz LFCKXQJQPXLQMC-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001716918524 1182572176 /nfs/dbraw/zinc/57/21/76/1182572176.db2.gz HTJQIWOOCGUSPI-WMZOPIPTSA-N 2 1 321.465 0.847 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001717015738 1182623855 /nfs/dbraw/zinc/62/38/55/1182623855.db2.gz QOZITDQZGTVOTK-QGZVFWFLSA-N 2 1 320.481 0.664 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001717025377 1182632683 /nfs/dbraw/zinc/63/26/83/1182632683.db2.gz GPPNTDUDBIXBEQ-KRWDZBQOSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001717025377 1182632686 /nfs/dbraw/zinc/63/26/86/1182632686.db2.gz GPPNTDUDBIXBEQ-KRWDZBQOSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001717025377 1182632689 /nfs/dbraw/zinc/63/26/89/1182632689.db2.gz GPPNTDUDBIXBEQ-KRWDZBQOSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001717025377 1182632692 /nfs/dbraw/zinc/63/26/92/1182632692.db2.gz GPPNTDUDBIXBEQ-KRWDZBQOSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001717200013 1182726742 /nfs/dbraw/zinc/72/67/42/1182726742.db2.gz XYKHGPJUUDMOMY-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001717508102 1182873676 /nfs/dbraw/zinc/87/36/76/1182873676.db2.gz LTSIICJUXNJDKA-UHFFFAOYSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001717714591 1182967843 /nfs/dbraw/zinc/96/78/43/1182967843.db2.gz QBVJXUUFKZXVAF-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001717714591 1182967844 /nfs/dbraw/zinc/96/78/44/1182967844.db2.gz QBVJXUUFKZXVAF-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001717714591 1182967848 /nfs/dbraw/zinc/96/78/48/1182967848.db2.gz QBVJXUUFKZXVAF-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001717926823 1183067012 /nfs/dbraw/zinc/06/70/12/1183067012.db2.gz FMFKCVSJXYISHZ-GOEBONIOSA-N 2 1 320.437 0.739 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CCOC ZINC001717975489 1183094242 /nfs/dbraw/zinc/09/42/42/1183094242.db2.gz CSYRIEGAPUKCLF-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CCOC ZINC001717975489 1183094245 /nfs/dbraw/zinc/09/42/45/1183094245.db2.gz CSYRIEGAPUKCLF-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001724602205 1184470251 /nfs/dbraw/zinc/47/02/51/1184470251.db2.gz JZYGZGFWYTYMEN-HOTGVXAUSA-N 2 1 309.454 0.662 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001724629647 1184481022 /nfs/dbraw/zinc/48/10/22/1184481022.db2.gz VMLHPEZDYYDQQP-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001724629647 1184481027 /nfs/dbraw/zinc/48/10/27/1184481027.db2.gz VMLHPEZDYYDQQP-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001724629647 1184481033 /nfs/dbraw/zinc/48/10/33/1184481033.db2.gz VMLHPEZDYYDQQP-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001724678446 1184515572 /nfs/dbraw/zinc/51/55/72/1184515572.db2.gz FLCRNAUHUNIHIF-HNNXBMFYSA-N 2 1 320.437 0.741 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001724918262 1184620790 /nfs/dbraw/zinc/62/07/90/1184620790.db2.gz FOLXANRANNEUNO-HZPDHXFCSA-N 2 1 319.449 0.892 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724962825 1184635862 /nfs/dbraw/zinc/63/58/62/1184635862.db2.gz ZKYWAMOAGKIRMA-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725188456 1184712703 /nfs/dbraw/zinc/71/27/03/1184712703.db2.gz GYVYBUQHOGRNTQ-CQSZACIVSA-N 2 1 305.426 0.518 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001725260573 1184743063 /nfs/dbraw/zinc/74/30/63/1184743063.db2.gz RNUUADGMOQIWCU-QWHCGFSZSA-N 2 1 310.442 0.065 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001725289384 1184755046 /nfs/dbraw/zinc/75/50/46/1184755046.db2.gz BHNWCHNCYFVYRB-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001725289384 1184755052 /nfs/dbraw/zinc/75/50/52/1184755052.db2.gz BHNWCHNCYFVYRB-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001725289384 1184755055 /nfs/dbraw/zinc/75/50/55/1184755055.db2.gz BHNWCHNCYFVYRB-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001725289384 1184755062 /nfs/dbraw/zinc/75/50/62/1184755062.db2.gz BHNWCHNCYFVYRB-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725696161 1184948403 /nfs/dbraw/zinc/94/84/03/1184948403.db2.gz SAUPHDWKNYKEHQ-NVXWUHKLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725696163 1184949215 /nfs/dbraw/zinc/94/92/15/1184949215.db2.gz SAUPHDWKNYKEHQ-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725725126 1184974956 /nfs/dbraw/zinc/97/49/56/1184974956.db2.gz SQANTHYCHZEWIX-IAGOWNOFSA-N 2 1 317.433 0.674 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725725126 1184974966 /nfs/dbraw/zinc/97/49/66/1184974966.db2.gz SQANTHYCHZEWIX-IAGOWNOFSA-N 2 1 317.433 0.674 20 30 DCEDMP C#CCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC ZINC001725758459 1184984277 /nfs/dbraw/zinc/98/42/77/1184984277.db2.gz VZPCWLZGWGCQSW-MRXNPFEDSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001731383757 1185312239 /nfs/dbraw/zinc/31/22/39/1185312239.db2.gz VJRXYJSBYXFSOK-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001731717022 1185455420 /nfs/dbraw/zinc/45/54/20/1185455420.db2.gz SBTFMHNFKUYVMY-BRWVUGGUSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001731717022 1185455423 /nfs/dbraw/zinc/45/54/23/1185455423.db2.gz SBTFMHNFKUYVMY-BRWVUGGUSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001731717022 1185455426 /nfs/dbraw/zinc/45/54/26/1185455426.db2.gz SBTFMHNFKUYVMY-BRWVUGGUSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001732164032 1185714915 /nfs/dbraw/zinc/71/49/15/1185714915.db2.gz XPAZRXAFVVQPEK-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001732291971 1185759479 /nfs/dbraw/zinc/75/94/79/1185759479.db2.gz QJNPJRMLRAWBOQ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001732493614 1185834547 /nfs/dbraw/zinc/83/45/47/1185834547.db2.gz DPWPHXGXLJOTPL-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001732958657 1186081123 /nfs/dbraw/zinc/08/11/23/1186081123.db2.gz PSCPFHZUYIMUCJ-KGLIPLIRSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001732958657 1186081127 /nfs/dbraw/zinc/08/11/27/1186081127.db2.gz PSCPFHZUYIMUCJ-KGLIPLIRSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccns1 ZINC001732998950 1186097271 /nfs/dbraw/zinc/09/72/71/1186097271.db2.gz NZVVJEVZDMSVPQ-ZFWWWQNUSA-N 2 1 320.462 0.878 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccns1 ZINC001732998950 1186097274 /nfs/dbraw/zinc/09/72/74/1186097274.db2.gz NZVVJEVZDMSVPQ-ZFWWWQNUSA-N 2 1 320.462 0.878 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@H](C)COC)CC1 ZINC001733376077 1186246368 /nfs/dbraw/zinc/24/63/68/1186246368.db2.gz XXQCIJCNIWFDLW-CVEARBPZSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001733399601 1186256286 /nfs/dbraw/zinc/25/62/86/1186256286.db2.gz PTLGCANUKMEAQI-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001733399601 1186256292 /nfs/dbraw/zinc/25/62/92/1186256292.db2.gz PTLGCANUKMEAQI-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001733399601 1186256297 /nfs/dbraw/zinc/25/62/97/1186256297.db2.gz PTLGCANUKMEAQI-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001733465209 1186277562 /nfs/dbraw/zinc/27/75/62/1186277562.db2.gz JTONSPIKJHQIEI-GOSISDBHSA-N 2 1 321.465 0.950 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001733465209 1186277567 /nfs/dbraw/zinc/27/75/67/1186277567.db2.gz JTONSPIKJHQIEI-GOSISDBHSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001733587251 1186346320 /nfs/dbraw/zinc/34/63/20/1186346320.db2.gz DLFURKUOMYXTFS-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001733587251 1186346322 /nfs/dbraw/zinc/34/63/22/1186346322.db2.gz DLFURKUOMYXTFS-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001733587251 1186346325 /nfs/dbraw/zinc/34/63/25/1186346325.db2.gz DLFURKUOMYXTFS-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001733623802 1186376818 /nfs/dbraw/zinc/37/68/18/1186376818.db2.gz AKXRFSSUCWJZQC-AWEZNQCLSA-N 2 1 306.410 0.350 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001733860367 1186478767 /nfs/dbraw/zinc/47/87/67/1186478767.db2.gz VTJOLKJZTCSOGH-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001734181864 1186571397 /nfs/dbraw/zinc/57/13/97/1186571397.db2.gz JDNNDOHVNOWRBO-ZFWWWQNUSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001734210213 1186580911 /nfs/dbraw/zinc/58/09/11/1186580911.db2.gz ACTBJFBKMMSUNE-RBSFLKMASA-N 2 1 322.453 0.257 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001752374387 1188419236 /nfs/dbraw/zinc/41/92/36/1188419236.db2.gz GZBVDEWJGBVJFW-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001752787203 1188441471 /nfs/dbraw/zinc/44/14/71/1188441471.db2.gz IRYUPGWMPSXGLN-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001752787203 1188441472 /nfs/dbraw/zinc/44/14/72/1188441472.db2.gz IRYUPGWMPSXGLN-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752977086 1188470845 /nfs/dbraw/zinc/47/08/45/1188470845.db2.gz BVOXNXXRKQLKQL-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001753224798 1188540525 /nfs/dbraw/zinc/54/05/25/1188540525.db2.gz LMSGEIQVUAONIX-HNNXBMFYSA-N 2 1 318.421 0.452 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001753358797 1188573022 /nfs/dbraw/zinc/57/30/22/1188573022.db2.gz BKAHPTJBROIXQP-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001753501581 1188611163 /nfs/dbraw/zinc/61/11/63/1188611163.db2.gz QRDHWRMFAIOLHS-AWEZNQCLSA-N 2 1 322.453 0.401 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2C)C1=O ZINC001754295612 1188811950 /nfs/dbraw/zinc/81/19/50/1188811950.db2.gz DXEPLRBEJSBHSE-JSGCOSHPSA-N 2 1 319.409 0.073 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001754847117 1188946959 /nfs/dbraw/zinc/94/69/59/1188946959.db2.gz IALFUSPXGVORSB-MRXNPFEDSA-N 2 1 324.469 0.063 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001754847117 1188946962 /nfs/dbraw/zinc/94/69/62/1188946962.db2.gz IALFUSPXGVORSB-MRXNPFEDSA-N 2 1 324.469 0.063 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001755019434 1188998246 /nfs/dbraw/zinc/99/82/46/1188998246.db2.gz LMPZGOMBLMUEDE-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001755087731 1189017594 /nfs/dbraw/zinc/01/75/94/1189017594.db2.gz HBPZBIHTXUUUFX-YQQAZPJKSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001755368537 1189092967 /nfs/dbraw/zinc/09/29/67/1189092967.db2.gz SLWDEFZMOIELBF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001755536205 1189139307 /nfs/dbraw/zinc/13/93/07/1189139307.db2.gz KGPVGCDOWDJNRQ-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001755536205 1189139309 /nfs/dbraw/zinc/13/93/09/1189139309.db2.gz KGPVGCDOWDJNRQ-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001755536205 1189139312 /nfs/dbraw/zinc/13/93/12/1189139312.db2.gz KGPVGCDOWDJNRQ-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001755536205 1189139313 /nfs/dbraw/zinc/13/93/13/1189139313.db2.gz KGPVGCDOWDJNRQ-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001755694235 1189187468 /nfs/dbraw/zinc/18/74/68/1189187468.db2.gz VHENQFYUASCWGR-DZGCQCFKSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO)CC(C)(C)C1 ZINC001089409959 751378180 /nfs/dbraw/zinc/37/81/80/751378180.db2.gz LYTAEOMQOPQDMM-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO)CC(C)(C)C1 ZINC001089409959 751378186 /nfs/dbraw/zinc/37/81/86/751378186.db2.gz LYTAEOMQOPQDMM-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)CC(C)(C)C1 ZINC001089409959 751378191 /nfs/dbraw/zinc/37/81/91/751378191.db2.gz LYTAEOMQOPQDMM-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)CC(C)(C)C1 ZINC001089409959 751378198 /nfs/dbraw/zinc/37/81/98/751378198.db2.gz LYTAEOMQOPQDMM-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341344 751409392 /nfs/dbraw/zinc/40/93/92/751409392.db2.gz AJYZMHOVIFWFIC-QJPTWQEYSA-N 2 1 303.328 0.550 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981034 751706738 /nfs/dbraw/zinc/70/67/38/751706738.db2.gz FFSHGZOZIXCDCS-OWCLPIDISA-N 2 1 309.454 0.825 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001125214068 751840940 /nfs/dbraw/zinc/84/09/40/751840940.db2.gz OFATVEJTDFTKEW-INIZCTEOSA-N 2 1 319.380 0.214 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001125214068 751840946 /nfs/dbraw/zinc/84/09/46/751840946.db2.gz OFATVEJTDFTKEW-INIZCTEOSA-N 2 1 319.380 0.214 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083192615 746970426 /nfs/dbraw/zinc/97/04/26/746970426.db2.gz IZVSVMFCEFDRLF-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083192615 746970432 /nfs/dbraw/zinc/97/04/32/746970432.db2.gz IZVSVMFCEFDRLF-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083192615 746970435 /nfs/dbraw/zinc/97/04/35/746970435.db2.gz IZVSVMFCEFDRLF-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083192615 746970440 /nfs/dbraw/zinc/97/04/40/746970440.db2.gz IZVSVMFCEFDRLF-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@H]1C ZINC001104306087 747171424 /nfs/dbraw/zinc/17/14/24/747171424.db2.gz JZSFCKXRNPSJEJ-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@H]1C ZINC001104306087 747171427 /nfs/dbraw/zinc/17/14/27/747171427.db2.gz JZSFCKXRNPSJEJ-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249630 747424724 /nfs/dbraw/zinc/42/47/24/747424724.db2.gz OFHCQTPTJMTQFZ-LSDHHAIUSA-N 2 1 305.422 0.570 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104795622 747932297 /nfs/dbraw/zinc/93/22/97/747932297.db2.gz UWANQXQYYCGVDB-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@H]1C ZINC001071514937 761920779 /nfs/dbraw/zinc/92/07/79/761920779.db2.gz PTRDMETUYLJESA-HUUCEWRRSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@H]1C ZINC001071514937 761920783 /nfs/dbraw/zinc/92/07/83/761920783.db2.gz PTRDMETUYLJESA-HUUCEWRRSA-N 2 1 317.437 0.661 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920162 749133597 /nfs/dbraw/zinc/13/35/97/749133597.db2.gz GLZIERDHERIALC-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920162 749133601 /nfs/dbraw/zinc/13/36/01/749133601.db2.gz GLZIERDHERIALC-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920162 749133603 /nfs/dbraw/zinc/13/36/03/749133603.db2.gz GLZIERDHERIALC-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920162 749133606 /nfs/dbraw/zinc/13/36/06/749133606.db2.gz GLZIERDHERIALC-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011720 749190268 /nfs/dbraw/zinc/19/02/68/749190268.db2.gz AEECYVOIQWTDAJ-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011720 749190273 /nfs/dbraw/zinc/19/02/73/749190273.db2.gz AEECYVOIQWTDAJ-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011720 749190274 /nfs/dbraw/zinc/19/02/74/749190274.db2.gz AEECYVOIQWTDAJ-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011720 749190280 /nfs/dbraw/zinc/19/02/80/749190280.db2.gz AEECYVOIQWTDAJ-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208231 749290038 /nfs/dbraw/zinc/29/00/38/749290038.db2.gz RFLVCNVHKAXOJL-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208231 749290043 /nfs/dbraw/zinc/29/00/43/749290043.db2.gz RFLVCNVHKAXOJL-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208231 749290051 /nfs/dbraw/zinc/29/00/51/749290051.db2.gz RFLVCNVHKAXOJL-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208231 749290056 /nfs/dbraw/zinc/29/00/56/749290056.db2.gz RFLVCNVHKAXOJL-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208231 749290060 /nfs/dbraw/zinc/29/00/60/749290060.db2.gz RFLVCNVHKAXOJL-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757094 749978157 /nfs/dbraw/zinc/97/81/57/749978157.db2.gz ICBRBDGXAFSVCL-XTCFQUFBSA-N 2 1 317.433 0.452 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757094 749978162 /nfs/dbraw/zinc/97/81/62/749978162.db2.gz ICBRBDGXAFSVCL-XTCFQUFBSA-N 2 1 317.433 0.452 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757094 749978165 /nfs/dbraw/zinc/97/81/65/749978165.db2.gz ICBRBDGXAFSVCL-XTCFQUFBSA-N 2 1 317.433 0.452 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719685 751032409 /nfs/dbraw/zinc/03/24/09/751032409.db2.gz QGRQIWHLPZRKPM-XHSDSOJGSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719685 751032414 /nfs/dbraw/zinc/03/24/14/751032414.db2.gz QGRQIWHLPZRKPM-XHSDSOJGSA-N 2 1 309.454 0.846 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122536229 751089463 /nfs/dbraw/zinc/08/94/63/751089463.db2.gz VTCKULMTHRIHFD-HOTGVXAUSA-N 2 1 305.422 0.047 20 30 DCEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203505177 751097451 /nfs/dbraw/zinc/09/74/51/751097451.db2.gz BWUMVRBJLZPCQX-HZPDHXFCSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108032592 753080675 /nfs/dbraw/zinc/08/06/75/753080675.db2.gz BUMDYVWQXJGWHR-KRWDZBQOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108032592 753080681 /nfs/dbraw/zinc/08/06/81/753080681.db2.gz BUMDYVWQXJGWHR-KRWDZBQOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108032592 753080685 /nfs/dbraw/zinc/08/06/85/753080685.db2.gz BUMDYVWQXJGWHR-KRWDZBQOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108032592 753080689 /nfs/dbraw/zinc/08/06/89/753080689.db2.gz BUMDYVWQXJGWHR-KRWDZBQOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC2CC2)C1 ZINC001078413435 753231483 /nfs/dbraw/zinc/23/14/83/753231483.db2.gz SXNYAQYWBQJZEJ-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC2CC2)C1 ZINC001078413435 753231497 /nfs/dbraw/zinc/23/14/97/753231497.db2.gz SXNYAQYWBQJZEJ-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1C ZINC001071890432 762204622 /nfs/dbraw/zinc/20/46/22/762204622.db2.gz MGUKSSVOIWANKU-GOEBONIOSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1C ZINC001071890432 762204630 /nfs/dbraw/zinc/20/46/30/762204630.db2.gz MGUKSSVOIWANKU-GOEBONIOSA-N 2 1 317.437 0.661 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1=O ZINC001128782637 754278812 /nfs/dbraw/zinc/27/88/12/754278812.db2.gz ADIWEILVURAKNJ-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001047501879 754338946 /nfs/dbraw/zinc/33/89/46/754338946.db2.gz HNZCIVFBMJQKNG-BPUTZDHNSA-N 2 1 318.421 0.443 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001047501879 754338952 /nfs/dbraw/zinc/33/89/52/754338952.db2.gz HNZCIVFBMJQKNG-BPUTZDHNSA-N 2 1 318.421 0.443 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001108160083 754482114 /nfs/dbraw/zinc/48/21/14/754482114.db2.gz CVUAQSVAQKGIFH-XYJFISCASA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001108160083 754482117 /nfs/dbraw/zinc/48/21/17/754482117.db2.gz CVUAQSVAQKGIFH-XYJFISCASA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160083 754482120 /nfs/dbraw/zinc/48/21/20/754482120.db2.gz CVUAQSVAQKGIFH-XYJFISCASA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160083 754482125 /nfs/dbraw/zinc/48/21/25/754482125.db2.gz CVUAQSVAQKGIFH-XYJFISCASA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860442 754984097 /nfs/dbraw/zinc/98/40/97/754984097.db2.gz USCDWPFYABNLHW-YESZJQIVSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860442 754984099 /nfs/dbraw/zinc/98/40/99/754984099.db2.gz USCDWPFYABNLHW-YESZJQIVSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860442 754984101 /nfs/dbraw/zinc/98/41/01/754984101.db2.gz USCDWPFYABNLHW-YESZJQIVSA-N 2 1 303.450 0.988 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908592 755449565 /nfs/dbraw/zinc/44/95/65/755449565.db2.gz LUKOLLUDHKPNDU-CVEARBPZSA-N 2 1 309.454 0.844 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054109520 756369571 /nfs/dbraw/zinc/36/95/71/756369571.db2.gz OAHRBWPKJQKVEF-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054109520 756369577 /nfs/dbraw/zinc/36/95/77/756369577.db2.gz OAHRBWPKJQKVEF-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001054109520 756369582 /nfs/dbraw/zinc/36/95/82/756369582.db2.gz OAHRBWPKJQKVEF-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001054109520 756369587 /nfs/dbraw/zinc/36/95/87/756369587.db2.gz OAHRBWPKJQKVEF-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659370 756743432 /nfs/dbraw/zinc/74/34/32/756743432.db2.gz YIQULPCVQBBLTQ-BZUAXINKSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081659370 756743433 /nfs/dbraw/zinc/74/34/33/756743433.db2.gz YIQULPCVQBBLTQ-BZUAXINKSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081659370 756743436 /nfs/dbraw/zinc/74/34/36/756743436.db2.gz YIQULPCVQBBLTQ-BZUAXINKSA-N 2 1 307.438 0.698 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082201165 756953913 /nfs/dbraw/zinc/95/39/13/756953913.db2.gz MVUFPRDRPGEDND-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082201165 756953921 /nfs/dbraw/zinc/95/39/21/756953921.db2.gz MVUFPRDRPGEDND-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CC[N@H+](C)CC)C1=O ZINC001170223847 762579003 /nfs/dbraw/zinc/57/90/03/762579003.db2.gz WLXVJXUNUPGZHF-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001050700184 757984696 /nfs/dbraw/zinc/98/46/96/757984696.db2.gz BDIBTWICRBELAT-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050761615 758036372 /nfs/dbraw/zinc/03/63/72/758036372.db2.gz SSIGIIAOERPWJR-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050761615 758036379 /nfs/dbraw/zinc/03/63/79/758036379.db2.gz SSIGIIAOERPWJR-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995976 759098159 /nfs/dbraw/zinc/09/81/59/759098159.db2.gz IBISDZBXAMNPPZ-JKSUJKDBSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995976 759098168 /nfs/dbraw/zinc/09/81/68/759098168.db2.gz IBISDZBXAMNPPZ-JKSUJKDBSA-N 2 1 306.454 0.485 20 30 DCEDMP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051996479 759099320 /nfs/dbraw/zinc/09/93/20/759099320.db2.gz NGRLGBXNBYEISN-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098392248 759232257 /nfs/dbraw/zinc/23/22/57/759232257.db2.gz ODGZOAJMXUWVHJ-KRWDZBQOSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001108214112 759394128 /nfs/dbraw/zinc/39/41/28/759394128.db2.gz ZGUAUIIUFJGVHL-DOTOQJQBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108214112 759394141 /nfs/dbraw/zinc/39/41/41/759394141.db2.gz ZGUAUIIUFJGVHL-DOTOQJQBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108214112 759394153 /nfs/dbraw/zinc/39/41/53/759394153.db2.gz ZGUAUIIUFJGVHL-DOTOQJQBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108214112 759394164 /nfs/dbraw/zinc/39/41/64/759394164.db2.gz ZGUAUIIUFJGVHL-DOTOQJQBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001085986602 759547079 /nfs/dbraw/zinc/54/70/79/759547079.db2.gz IMYRMQJOFKNGSZ-QGZVFWFLSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086197498 759834958 /nfs/dbraw/zinc/83/49/58/759834958.db2.gz KPZNGWAQZKCIOA-SOUVJXGZSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070435881 761236725 /nfs/dbraw/zinc/23/67/25/761236725.db2.gz UWMUFUAXIQJTRO-KBPBESRZSA-N 2 1 315.421 0.400 20 30 DCEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070435881 761236730 /nfs/dbraw/zinc/23/67/30/761236730.db2.gz UWMUFUAXIQJTRO-KBPBESRZSA-N 2 1 315.421 0.400 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070435881 761236733 /nfs/dbraw/zinc/23/67/33/761236733.db2.gz UWMUFUAXIQJTRO-KBPBESRZSA-N 2 1 315.421 0.400 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109404623 761400367 /nfs/dbraw/zinc/40/03/67/761400367.db2.gz FADYIJZHVJPXBN-LTIDMASMSA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109404623 761400368 /nfs/dbraw/zinc/40/03/68/761400368.db2.gz FADYIJZHVJPXBN-LTIDMASMSA-N 2 1 319.449 0.698 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCOC)CC1 ZINC001157092105 761696377 /nfs/dbraw/zinc/69/63/77/761696377.db2.gz KYHKJVKDRXSMBT-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241563 761733020 /nfs/dbraw/zinc/73/30/20/761733020.db2.gz WTSNZTNMXWBJEX-RDJZCZTQSA-N 2 1 305.422 0.407 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001099170599 762824954 /nfs/dbraw/zinc/82/49/54/762824954.db2.gz HHYSLCRRTAZTEN-UXLLHSPISA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001099170599 762824961 /nfs/dbraw/zinc/82/49/61/762824961.db2.gz HHYSLCRRTAZTEN-UXLLHSPISA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099170599 762824968 /nfs/dbraw/zinc/82/49/68/762824968.db2.gz HHYSLCRRTAZTEN-UXLLHSPISA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099170599 762824976 /nfs/dbraw/zinc/82/49/76/762824976.db2.gz HHYSLCRRTAZTEN-UXLLHSPISA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460844 762948540 /nfs/dbraw/zinc/94/85/40/762948540.db2.gz PKGYQAHPKCTFEF-CABCVRRESA-N 2 1 320.441 0.536 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460844 762948543 /nfs/dbraw/zinc/94/85/43/762948543.db2.gz PKGYQAHPKCTFEF-CABCVRRESA-N 2 1 320.441 0.536 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460844 762948544 /nfs/dbraw/zinc/94/85/44/762948544.db2.gz PKGYQAHPKCTFEF-CABCVRRESA-N 2 1 320.441 0.536 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879089 763094808 /nfs/dbraw/zinc/09/48/08/763094808.db2.gz FGVCYCWINSDLIP-HOTGVXAUSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](O)C1 ZINC001099931233 763136709 /nfs/dbraw/zinc/13/67/09/763136709.db2.gz PKLQOAMHJFHSNG-HZPDHXFCSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](O)C1 ZINC001099931233 763136712 /nfs/dbraw/zinc/13/67/12/763136712.db2.gz PKLQOAMHJFHSNG-HZPDHXFCSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415797 763293215 /nfs/dbraw/zinc/29/32/15/763293215.db2.gz PNQHPLVQZUFMSV-ZDUSSCGKSA-N 2 1 303.410 0.400 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100140708 763345774 /nfs/dbraw/zinc/34/57/74/763345774.db2.gz AJBUQNTUGHRQSB-DLBZAZTESA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141288 763347753 /nfs/dbraw/zinc/34/77/53/763347753.db2.gz PACVMTAPTWNQQU-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141288 763347760 /nfs/dbraw/zinc/34/77/60/763347760.db2.gz PACVMTAPTWNQQU-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@H](C)O2 ZINC001131677843 763945548 /nfs/dbraw/zinc/94/55/48/763945548.db2.gz PTELQDDYHHQION-MAUKXSAKSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345034 764064327 /nfs/dbraw/zinc/06/43/27/764064327.db2.gz QJKINLIIPXTLGZ-AEFFLSMTSA-N 2 1 321.465 0.758 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819599 764829289 /nfs/dbraw/zinc/82/92/89/764829289.db2.gz WWMOCKOLCDFCTB-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819599 764829300 /nfs/dbraw/zinc/82/93/00/764829300.db2.gz WWMOCKOLCDFCTB-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819599 764829309 /nfs/dbraw/zinc/82/93/09/764829309.db2.gz WWMOCKOLCDFCTB-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819599 764829320 /nfs/dbraw/zinc/82/93/20/764829320.db2.gz WWMOCKOLCDFCTB-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818648 764829560 /nfs/dbraw/zinc/82/95/60/764829560.db2.gz ASKUVZHAHWXENR-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818648 764829570 /nfs/dbraw/zinc/82/95/70/764829570.db2.gz ASKUVZHAHWXENR-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818648 764829581 /nfs/dbraw/zinc/82/95/81/764829581.db2.gz ASKUVZHAHWXENR-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818648 764829595 /nfs/dbraw/zinc/82/95/95/764829595.db2.gz ASKUVZHAHWXENR-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103742296 765117614 /nfs/dbraw/zinc/11/76/14/765117614.db2.gz ADJYDZGRFGAZFW-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103742296 765117620 /nfs/dbraw/zinc/11/76/20/765117620.db2.gz ADJYDZGRFGAZFW-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103742296 765117627 /nfs/dbraw/zinc/11/76/27/765117627.db2.gz ADJYDZGRFGAZFW-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103742296 765117631 /nfs/dbraw/zinc/11/76/31/765117631.db2.gz ADJYDZGRFGAZFW-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819897 765150945 /nfs/dbraw/zinc/15/09/45/765150945.db2.gz QSCPNITYLONDMV-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126256 765600078 /nfs/dbraw/zinc/60/00/78/765600078.db2.gz LCNHHVQPVDXVFS-LJIGWXMPSA-N 2 1 309.454 0.966 20 30 DCEDMP C#CC[NH2+]C1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001091301884 767096554 /nfs/dbraw/zinc/09/65/54/767096554.db2.gz VYBSTSWZVBPOQY-UHFFFAOYSA-N 2 1 309.373 0.999 20 30 DCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093208872 768490834 /nfs/dbraw/zinc/49/08/34/768490834.db2.gz JOYNNXCZVMDACU-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093208872 768490838 /nfs/dbraw/zinc/49/08/38/768490838.db2.gz JOYNNXCZVMDACU-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093208872 768490840 /nfs/dbraw/zinc/49/08/40/768490840.db2.gz JOYNNXCZVMDACU-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093208872 768490845 /nfs/dbraw/zinc/49/08/45/768490845.db2.gz JOYNNXCZVMDACU-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149841868 768878308 /nfs/dbraw/zinc/87/83/08/768878308.db2.gz LNUFIYDJKCHGLH-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150497593 769111339 /nfs/dbraw/zinc/11/13/39/769111339.db2.gz KDBOLBGUAILBDA-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001151049333 769245449 /nfs/dbraw/zinc/24/54/49/769245449.db2.gz MGMBIUWWBSLDHC-CQSZACIVSA-N 2 1 304.369 0.855 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001203337751 769407280 /nfs/dbraw/zinc/40/72/80/769407280.db2.gz SHTDSKRBWDFVLA-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001151748520 769412334 /nfs/dbraw/zinc/41/23/34/769412334.db2.gz GGBOPBPHCUPCCN-INIZCTEOSA-N 2 1 316.405 0.485 20 30 DCEDMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001151748520 769412342 /nfs/dbraw/zinc/41/23/42/769412342.db2.gz GGBOPBPHCUPCCN-INIZCTEOSA-N 2 1 316.405 0.485 20 30 DCEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC[NH+](CCO)CCO ZINC001172289797 769471742 /nfs/dbraw/zinc/47/17/42/769471742.db2.gz HYWNFDGIKBXLOP-HNNXBMFYSA-N 2 1 305.422 0.756 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152440080 769555631 /nfs/dbraw/zinc/55/56/31/769555631.db2.gz XPEVJJPTJDTOTP-UHFFFAOYSA-N 2 1 312.458 0.457 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001153424407 769813720 /nfs/dbraw/zinc/81/37/20/769813720.db2.gz JSLBIAGCHNYDBW-OAHLLOKOSA-N 2 1 319.453 0.908 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902475 770898907 /nfs/dbraw/zinc/89/89/07/770898907.db2.gz SHUVLDYPQZZFIF-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+]CCCCCCNC(=O)CC[NH+]1CCOCC1 ZINC001179831553 771021415 /nfs/dbraw/zinc/02/14/15/771021415.db2.gz IGHFBFDQLCXLCK-UHFFFAOYSA-N 2 1 309.454 0.998 20 30 DCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184425854 771787104 /nfs/dbraw/zinc/78/71/04/771787104.db2.gz ZONUEXRUHZPKQM-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCO)CC1 ZINC001158914896 771833868 /nfs/dbraw/zinc/83/38/68/771833868.db2.gz VIRXJMBKCLKIAS-QGZVFWFLSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](OC)C1CCC1 ZINC001160209576 772009093 /nfs/dbraw/zinc/00/90/93/772009093.db2.gz RCMOGOHHPZADLG-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](OC)C1CCC1 ZINC001160209576 772009099 /nfs/dbraw/zinc/00/90/99/772009099.db2.gz RCMOGOHHPZADLG-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160274947 772017941 /nfs/dbraw/zinc/01/79/41/772017941.db2.gz XTDQADWHTYGOPB-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001161042078 772157123 /nfs/dbraw/zinc/15/71/23/772157123.db2.gz NTUPPWLMPRRVCC-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305284 772171740 /nfs/dbraw/zinc/17/17/40/772171740.db2.gz ULHJNCDUNJOEHJ-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305284 772171742 /nfs/dbraw/zinc/17/17/42/772171742.db2.gz ULHJNCDUNJOEHJ-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305284 772171744 /nfs/dbraw/zinc/17/17/44/772171744.db2.gz ULHJNCDUNJOEHJ-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161857125 772289800 /nfs/dbraw/zinc/28/98/00/772289800.db2.gz LDARRMHGYZQKJP-QGZVFWFLSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161857125 772289807 /nfs/dbraw/zinc/28/98/07/772289807.db2.gz LDARRMHGYZQKJP-QGZVFWFLSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161857125 772289810 /nfs/dbraw/zinc/28/98/10/772289810.db2.gz LDARRMHGYZQKJP-QGZVFWFLSA-N 2 1 319.449 0.726 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)(COC)CC1 ZINC001162300576 772355563 /nfs/dbraw/zinc/35/55/63/772355563.db2.gz JYXTZAXEXWUUQX-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802397 772544303 /nfs/dbraw/zinc/54/43/03/772544303.db2.gz YEOLJZVNAPQVFB-JKSUJKDBSA-N 2 1 319.449 0.818 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001164449311 772660411 /nfs/dbraw/zinc/66/04/11/772660411.db2.gz HKPADVIUODLLAC-OAHLLOKOSA-N 2 1 324.469 0.507 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192342532 772907415 /nfs/dbraw/zinc/90/74/15/772907415.db2.gz GBEDYXALYQRYOW-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001192342532 772907419 /nfs/dbraw/zinc/90/74/19/772907419.db2.gz GBEDYXALYQRYOW-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342532 772907422 /nfs/dbraw/zinc/90/74/22/772907422.db2.gz GBEDYXALYQRYOW-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342532 772907424 /nfs/dbraw/zinc/90/74/24/772907424.db2.gz GBEDYXALYQRYOW-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203649999 772918046 /nfs/dbraw/zinc/91/80/46/772918046.db2.gz DZZRJVJHYXGNAM-HZPDHXFCSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791726 772924599 /nfs/dbraw/zinc/92/45/99/772924599.db2.gz KIESFRJZRKPNIP-JKSUJKDBSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193456231 773071842 /nfs/dbraw/zinc/07/18/42/773071842.db2.gz OMZSDYCRMLOWLA-BFHYXJOUSA-N 2 1 301.406 0.404 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)COC)C2)CC1 ZINC001194245561 773167675 /nfs/dbraw/zinc/16/76/75/773167675.db2.gz CMYWTUNCYAWUAF-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195828119 773489665 /nfs/dbraw/zinc/48/96/65/773489665.db2.gz FLYLLBIHKSEDHR-NUEKZKHPSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738600 773523943 /nfs/dbraw/zinc/52/39/43/773523943.db2.gz GWJKKSWWCZOMAB-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210811465 773741791 /nfs/dbraw/zinc/74/17/91/773741791.db2.gz OJUJAHZLEZRSAL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370108 774097751 /nfs/dbraw/zinc/09/77/51/774097751.db2.gz KWVZIBCBCKIBEJ-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384056 774114741 /nfs/dbraw/zinc/11/47/41/774114741.db2.gz WANMOAUFOCUXKZ-OWCLPIDISA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853584 774143532 /nfs/dbraw/zinc/14/35/32/774143532.db2.gz IMIFRAAPOJYQLO-QLFBSQMISA-N 2 1 324.469 0.454 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CCCO1 ZINC001200851655 774417321 /nfs/dbraw/zinc/41/73/21/774417321.db2.gz QWPXSFCGUFUOES-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201420777 774507362 /nfs/dbraw/zinc/50/73/62/774507362.db2.gz OXIMSUCBHLEWSW-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220575553 774849109 /nfs/dbraw/zinc/84/91/09/774849109.db2.gz WXEHBSVINNKHNK-OWCLPIDISA-N 2 1 309.454 0.537 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220575553 774849119 /nfs/dbraw/zinc/84/91/19/774849119.db2.gz WXEHBSVINNKHNK-OWCLPIDISA-N 2 1 309.454 0.537 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001223449187 775492361 /nfs/dbraw/zinc/49/23/61/775492361.db2.gz GDTCQGIAZAQRAE-MRXNPFEDSA-N 2 1 317.437 0.275 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCOCC)CC1 ZINC001223507290 775497460 /nfs/dbraw/zinc/49/74/60/775497460.db2.gz PZTWDHGFKAYCKO-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCOCC)CC1 ZINC001223507290 775497466 /nfs/dbraw/zinc/49/74/66/775497466.db2.gz PZTWDHGFKAYCKO-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496498 775871870 /nfs/dbraw/zinc/87/18/70/775871870.db2.gz NVXSKEAGQRUNML-VQFNDLOPSA-N 2 1 312.417 0.978 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769052 776110945 /nfs/dbraw/zinc/11/09/45/776110945.db2.gz BOHCQOSIPRDRPO-ZSHCYNCHSA-N 2 1 305.422 0.024 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229224429 776170823 /nfs/dbraw/zinc/17/08/23/776170823.db2.gz ZNOAZIRRUIDNQP-AWEZNQCLSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167197 777104184 /nfs/dbraw/zinc/10/41/84/777104184.db2.gz KLCYRNVCCWVBLJ-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167197 777104191 /nfs/dbraw/zinc/10/41/91/777104191.db2.gz KLCYRNVCCWVBLJ-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167197 777104194 /nfs/dbraw/zinc/10/41/94/777104194.db2.gz KLCYRNVCCWVBLJ-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167197 777104196 /nfs/dbraw/zinc/10/41/96/777104196.db2.gz KLCYRNVCCWVBLJ-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041366736 777232283 /nfs/dbraw/zinc/23/22/83/777232283.db2.gz AKIXOHPNOWCLSF-RDJZCZTQSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041366736 777232290 /nfs/dbraw/zinc/23/22/90/777232290.db2.gz AKIXOHPNOWCLSF-RDJZCZTQSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041366736 777232297 /nfs/dbraw/zinc/23/22/97/777232297.db2.gz AKIXOHPNOWCLSF-RDJZCZTQSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCO)C2)C1 ZINC001041366736 777232306 /nfs/dbraw/zinc/23/23/06/777232306.db2.gz AKIXOHPNOWCLSF-RDJZCZTQSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCO)C2)C1 ZINC001041366736 777232314 /nfs/dbraw/zinc/23/23/14/777232314.db2.gz AKIXOHPNOWCLSF-RDJZCZTQSA-N 2 1 305.422 0.001 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041838274 777533229 /nfs/dbraw/zinc/53/32/29/777533229.db2.gz VOQBZQWFHAQYQR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041838274 777533235 /nfs/dbraw/zinc/53/32/35/777533235.db2.gz VOQBZQWFHAQYQR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041838274 777533242 /nfs/dbraw/zinc/53/32/42/777533242.db2.gz VOQBZQWFHAQYQR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041838274 777533252 /nfs/dbraw/zinc/53/32/52/777533252.db2.gz VOQBZQWFHAQYQR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001278079517 945125829 /nfs/dbraw/zinc/12/58/29/945125829.db2.gz JPSYLXHKFOTUIC-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001266882247 939265424 /nfs/dbraw/zinc/26/54/24/939265424.db2.gz FTLAXWYPICWTBR-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)CCCn2ccnc2)C1 ZINC001267310330 939421927 /nfs/dbraw/zinc/42/19/27/939421927.db2.gz VUCNXPXWCCAFLD-MRXNPFEDSA-N 2 1 318.421 0.751 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267569268 939504543 /nfs/dbraw/zinc/50/45/43/939504543.db2.gz RVBLNTGASSZXBQ-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267685018 939624800 /nfs/dbraw/zinc/62/48/00/939624800.db2.gz WWOLQZOOCKPIRD-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267685018 939624802 /nfs/dbraw/zinc/62/48/02/939624802.db2.gz WWOLQZOOCKPIRD-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267685018 939624805 /nfs/dbraw/zinc/62/48/05/939624805.db2.gz WWOLQZOOCKPIRD-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001267921811 939705454 /nfs/dbraw/zinc/70/54/54/939705454.db2.gz RXCGCPSMNYDKLQ-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001267921811 939705456 /nfs/dbraw/zinc/70/54/56/939705456.db2.gz RXCGCPSMNYDKLQ-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001267932012 939707823 /nfs/dbraw/zinc/70/78/23/939707823.db2.gz KTAZRSMBZDAXFZ-WKILWMFISA-N 2 1 309.454 0.993 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001278397717 945276292 /nfs/dbraw/zinc/27/62/92/945276292.db2.gz VSOXZPJGGGLVGA-BFYDXBDKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001278397717 945276299 /nfs/dbraw/zinc/27/62/99/945276299.db2.gz VSOXZPJGGGLVGA-BFYDXBDKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278397717 945276309 /nfs/dbraw/zinc/27/63/09/945276309.db2.gz VSOXZPJGGGLVGA-BFYDXBDKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001481461594 939875345 /nfs/dbraw/zinc/87/53/45/939875345.db2.gz FKWPEVGKWTUTFG-OAHLLOKOSA-N 2 1 307.438 0.152 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nccnc1C ZINC001268648565 940318001 /nfs/dbraw/zinc/31/80/01/940318001.db2.gz NDIWHNURAROUHQ-CJNGLKHVSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nccnc1C ZINC001268648565 940318006 /nfs/dbraw/zinc/31/80/06/940318006.db2.gz NDIWHNURAROUHQ-CJNGLKHVSA-N 2 1 315.421 0.477 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)COC(C)C ZINC001246001925 945311798 /nfs/dbraw/zinc/31/17/98/945311798.db2.gz QFYFLYRZVXKTPC-KBPBESRZSA-N 2 1 302.415 0.589 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(C)C ZINC001268798526 940365885 /nfs/dbraw/zinc/36/58/85/940365885.db2.gz KUHAVGOLPHSKIT-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(C)C ZINC001268798526 940365887 /nfs/dbraw/zinc/36/58/87/940365887.db2.gz KUHAVGOLPHSKIT-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnns1 ZINC001268798990 940365996 /nfs/dbraw/zinc/36/59/96/940365996.db2.gz SIZQRYJQXCNTDK-AWEZNQCLSA-N 2 1 321.450 0.574 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCO)C1CCCCC1 ZINC001482405781 941211947 /nfs/dbraw/zinc/21/19/47/941211947.db2.gz IFCSAJLPYQSMBA-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCO)C1CCCCC1 ZINC001482405781 941211949 /nfs/dbraw/zinc/21/19/49/941211949.db2.gz IFCSAJLPYQSMBA-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001482438128 941221297 /nfs/dbraw/zinc/22/12/97/941221297.db2.gz BQHUGIKLWOEEEM-GJZGRUSLSA-N 2 1 324.469 0.455 20 30 DCEDMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)CC[NH+]1CCOCC1 ZINC001271303763 941346415 /nfs/dbraw/zinc/34/64/15/941346415.db2.gz BHPLCUZBBBLDNT-INIZCTEOSA-N 2 1 309.454 0.853 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001271763846 941446815 /nfs/dbraw/zinc/44/68/15/941446815.db2.gz DDCYEFBYULVSLY-ULQDDVLXSA-N 2 1 321.465 0.853 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001271763846 941446817 /nfs/dbraw/zinc/44/68/17/941446817.db2.gz DDCYEFBYULVSLY-ULQDDVLXSA-N 2 1 321.465 0.853 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001272033830 941537026 /nfs/dbraw/zinc/53/70/26/941537026.db2.gz XCLSVGKPGFCMIS-CQSZACIVSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001272033830 941537029 /nfs/dbraw/zinc/53/70/29/941537029.db2.gz XCLSVGKPGFCMIS-CQSZACIVSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001483915689 943019769 /nfs/dbraw/zinc/01/97/69/943019769.db2.gz HRULERDIVXWCJZ-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC[NH+](CC)CC1 ZINC001483989831 943072957 /nfs/dbraw/zinc/07/29/57/943072957.db2.gz XMKJFDJKKOKPTC-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484445820 943400815 /nfs/dbraw/zinc/40/08/15/943400815.db2.gz KIYVUPRTPBWPKL-SFHVURJKSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484445820 943400817 /nfs/dbraw/zinc/40/08/17/943400817.db2.gz KIYVUPRTPBWPKL-SFHVURJKSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001484449307 943402190 /nfs/dbraw/zinc/40/21/90/943402190.db2.gz DQGFQEJUWZJNGE-QGZVFWFLSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001484449307 943402195 /nfs/dbraw/zinc/40/21/95/943402195.db2.gz DQGFQEJUWZJNGE-QGZVFWFLSA-N 2 1 307.438 0.439 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001484856108 943602201 /nfs/dbraw/zinc/60/22/01/943602201.db2.gz NYPQSYOFOUGSIQ-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001484983309 943644098 /nfs/dbraw/zinc/64/40/98/943644098.db2.gz VRXGRWQUFVZOOR-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCN1C[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001272716048 944158738 /nfs/dbraw/zinc/15/87/38/944158738.db2.gz CJDPGTGRLFKZQR-GOSISDBHSA-N 2 1 319.449 0.799 20 30 DCEDMP C#CCN1C[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001272716048 944158740 /nfs/dbraw/zinc/15/87/40/944158740.db2.gz CJDPGTGRLFKZQR-GOSISDBHSA-N 2 1 319.449 0.799 20 30 DCEDMP Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cc1C#N ZINC001276607896 944230945 /nfs/dbraw/zinc/23/09/45/944230945.db2.gz FUVYWMBSASJCDS-WBVHZDCISA-N 2 1 301.438 0.964 20 30 DCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485998389 944473877 /nfs/dbraw/zinc/47/38/77/944473877.db2.gz WNIAVZNWTTVNFF-LSDHHAIUSA-N 2 1 309.454 0.894 20 30 DCEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001486050067 944533129 /nfs/dbraw/zinc/53/31/29/944533129.db2.gz KPMQHFDERRRKMK-CVEARBPZSA-N 2 1 303.406 0.379 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486133476 944587968 /nfs/dbraw/zinc/58/79/68/944587968.db2.gz COCKVOPZNQHBRL-UONOGXRCSA-N 2 1 310.442 0.208 20 30 DCEDMP CC(C)(C(=O)NCCC[NH+]1CCN(CC#N)CC1)[NH+]1CCCC1 ZINC001316959557 944682329 /nfs/dbraw/zinc/68/23/29/944682329.db2.gz LXTRUVINSMCHFN-UHFFFAOYSA-N 2 1 321.469 0.508 20 30 DCEDMP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001317005085 944733912 /nfs/dbraw/zinc/73/39/12/944733912.db2.gz DWYBNIUYGUBVLF-HZPDHXFCSA-N 2 1 319.449 0.559 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC#CCOC)CC2 ZINC001317004762 944734287 /nfs/dbraw/zinc/73/42/87/944734287.db2.gz DALXYCYXEXDLER-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317079961 944782879 /nfs/dbraw/zinc/78/28/79/944782879.db2.gz ALEVTXNCLHIXCT-TUVASFSCSA-N 2 1 322.453 0.398 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317110318 944800685 /nfs/dbraw/zinc/80/06/85/944800685.db2.gz VRFSNUQSSUYFHG-LJISPDSOSA-N 2 1 322.453 0.256 20 30 DCEDMP N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3CC2CC[NH2+]CC2)C1 ZINC001277821470 944993779 /nfs/dbraw/zinc/99/37/79/944993779.db2.gz JAFXEUUOYROTKU-DOTOQJQBSA-N 2 1 302.422 0.822 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001277899642 945031375 /nfs/dbraw/zinc/03/13/75/945031375.db2.gz FEXYYXHKQTTZDX-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317535571 945031546 /nfs/dbraw/zinc/03/15/46/945031546.db2.gz JJSPUWHMTABQBB-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC#CCOC)CC1 ZINC001318977058 945475461 /nfs/dbraw/zinc/47/54/61/945475461.db2.gz XVQXJDFRHPPBAM-WKILWMFISA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001319084697 945494203 /nfs/dbraw/zinc/49/42/03/945494203.db2.gz GQESAORLJQSCPQ-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247003091 945540637 /nfs/dbraw/zinc/54/06/37/945540637.db2.gz NGPGMIMLRNYPRT-UONOGXRCSA-N 2 1 308.426 0.457 20 30 DCEDMP C#CCOC[C@@H](O)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001251840733 945791973 /nfs/dbraw/zinc/79/19/73/945791973.db2.gz UDRYEFDMPKKTAU-HNNXBMFYSA-N 2 1 303.406 0.940 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCOCC1 ZINC001278707381 946101901 /nfs/dbraw/zinc/10/19/01/946101901.db2.gz JVBHWYOOJKOKBU-HNNXBMFYSA-N 2 1 307.438 0.747 20 30 DCEDMP C=C[C@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001253582085 946135271 /nfs/dbraw/zinc/13/52/71/946135271.db2.gz MGTUWIYXJIGMAI-INIZCTEOSA-N 2 1 309.454 0.798 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CCC(=C)C)C2)CC1 ZINC001278931995 946623022 /nfs/dbraw/zinc/62/30/22/946623022.db2.gz KGKLWYYTSSFIRR-UHFFFAOYSA-N 2 1 319.449 0.461 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001323541560 947120734 /nfs/dbraw/zinc/12/07/34/947120734.db2.gz JNBXDJUSKRVDLR-KBPBESRZSA-N 2 1 322.453 0.257 20 30 DCEDMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457241 947300060 /nfs/dbraw/zinc/30/00/60/947300060.db2.gz BWDJYSFAEBLQRB-HIFRSBDPSA-N 2 1 307.442 0.292 20 30 DCEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457241 947300073 /nfs/dbraw/zinc/30/00/73/947300073.db2.gz BWDJYSFAEBLQRB-HIFRSBDPSA-N 2 1 307.442 0.292 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H]1CCOC1 ZINC001273428374 947352172 /nfs/dbraw/zinc/35/21/72/947352172.db2.gz UDHICPTWRBNQBG-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H]1CCOC1 ZINC001273428374 947352183 /nfs/dbraw/zinc/35/21/83/947352183.db2.gz UDHICPTWRBNQBG-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001325099086 947652994 /nfs/dbraw/zinc/65/29/94/947652994.db2.gz VHFTWQSKESDCMF-NVXWUHKLSA-N 2 1 307.438 0.457 20 30 DCEDMP CC#CC[C@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001262570682 947729310 /nfs/dbraw/zinc/72/93/10/947729310.db2.gz BRGBILHOQQIPLV-QZTJIDSGSA-N 2 1 302.418 0.987 20 30 DCEDMP CC#CC[C@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001262570682 947729321 /nfs/dbraw/zinc/72/93/21/947729321.db2.gz BRGBILHOQQIPLV-QZTJIDSGSA-N 2 1 302.418 0.987 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001263099670 947807885 /nfs/dbraw/zinc/80/78/85/947807885.db2.gz QUJLMEHDNZHFEK-LSDHHAIUSA-N 2 1 324.469 0.729 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC#CCOC)C1 ZINC001326418888 948156313 /nfs/dbraw/zinc/15/63/13/948156313.db2.gz MHSONZKMUHPEAQ-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001263863914 948785768 /nfs/dbraw/zinc/78/57/68/948785768.db2.gz IPTPDSUNTQHESZ-ULQDDVLXSA-N 2 1 317.433 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001263863914 948785778 /nfs/dbraw/zinc/78/57/78/948785778.db2.gz IPTPDSUNTQHESZ-ULQDDVLXSA-N 2 1 317.433 0.218 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1OCC ZINC001263966423 948819380 /nfs/dbraw/zinc/81/93/80/948819380.db2.gz IBNAMKYEHIFMBD-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001489169967 949527213 /nfs/dbraw/zinc/52/72/13/949527213.db2.gz UQMOCMKNFOXYPL-MRXNPFEDSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001279431989 950573301 /nfs/dbraw/zinc/57/33/01/950573301.db2.gz VMTOTRKQUAQTDH-KRWDZBQOSA-N 2 1 320.481 0.664 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001490474999 950716228 /nfs/dbraw/zinc/71/62/28/950716228.db2.gz KBNZDVVOLQOVII-INIZCTEOSA-N 2 1 308.470 0.474 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001490549144 950809999 /nfs/dbraw/zinc/80/99/99/950809999.db2.gz ZHAZHIJLVXURRJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001490549144 950810018 /nfs/dbraw/zinc/81/00/18/950810018.db2.gz ZHAZHIJLVXURRJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001490549144 950810035 /nfs/dbraw/zinc/81/00/35/950810035.db2.gz ZHAZHIJLVXURRJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001490549144 950810059 /nfs/dbraw/zinc/81/00/59/950810059.db2.gz ZHAZHIJLVXURRJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001331289678 951056670 /nfs/dbraw/zinc/05/66/70/951056670.db2.gz MYOWUOQPHLKOKD-DLBZAZTESA-N 2 1 301.434 0.934 20 30 DCEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001331289678 951056681 /nfs/dbraw/zinc/05/66/81/951056681.db2.gz MYOWUOQPHLKOKD-DLBZAZTESA-N 2 1 301.434 0.934 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001281184850 951357177 /nfs/dbraw/zinc/35/71/77/951357177.db2.gz OPIASTXXGYBEPY-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001281184854 951357622 /nfs/dbraw/zinc/35/76/22/951357622.db2.gz OPIASTXXGYBEPY-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001281617832 951562621 /nfs/dbraw/zinc/56/26/21/951562621.db2.gz BUFQCCCMZVJJRF-OAHLLOKOSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@@]12CCN(CCn1ccnc1)C2=O ZINC001274617343 951743395 /nfs/dbraw/zinc/74/33/95/951743395.db2.gz XKINGXLYOFBQJR-IRXDYDNUSA-N 2 1 318.421 0.887 20 30 DCEDMP C[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001332928798 951855160 /nfs/dbraw/zinc/85/51/60/951855160.db2.gz MVHFWFRGZNVKPQ-HNNXBMFYSA-N 2 1 309.458 0.541 20 30 DCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001275559270 952262775 /nfs/dbraw/zinc/26/27/75/952262775.db2.gz IVWYNQRVFXDFRQ-WFASDCNBSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CCN(C)C[C@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001275559270 952262782 /nfs/dbraw/zinc/26/27/82/952262782.db2.gz IVWYNQRVFXDFRQ-WFASDCNBSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CCNC(=O)CN(C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001282403900 953569382 /nfs/dbraw/zinc/56/93/82/953569382.db2.gz YOJRFJBWDJDEMI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001282403900 953569388 /nfs/dbraw/zinc/56/93/88/953569388.db2.gz YOJRFJBWDJDEMI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001282403900 953569392 /nfs/dbraw/zinc/56/93/92/953569392.db2.gz YOJRFJBWDJDEMI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001282403900 953569398 /nfs/dbraw/zinc/56/93/98/953569398.db2.gz YOJRFJBWDJDEMI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001282403900 953569403 /nfs/dbraw/zinc/56/94/03/953569403.db2.gz YOJRFJBWDJDEMI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001283344429 954273590 /nfs/dbraw/zinc/27/35/90/954273590.db2.gz QVFHXKXDDMBYPW-UHFFFAOYSA-N 2 1 319.409 0.108 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001283763257 954589937 /nfs/dbraw/zinc/58/99/37/954589937.db2.gz HDRBTUSJUXFWTD-GDBMZVCRSA-N 2 1 307.438 0.483 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284066580 954824560 /nfs/dbraw/zinc/82/45/60/954824560.db2.gz HLYWRPVHYUAOON-SJLPKXTDSA-N 2 1 319.449 0.845 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284066580 954824571 /nfs/dbraw/zinc/82/45/71/954824571.db2.gz HLYWRPVHYUAOON-SJLPKXTDSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001284248315 954958905 /nfs/dbraw/zinc/95/89/05/954958905.db2.gz TWHBMTHCPWCUAT-CVEARBPZSA-N 2 1 318.421 0.716 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCOCC)CC1 ZINC001284928737 955320874 /nfs/dbraw/zinc/32/08/74/955320874.db2.gz QLUQZAGQRHOQSD-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCOCC)CC1 ZINC001284928737 955320885 /nfs/dbraw/zinc/32/08/85/955320885.db2.gz QLUQZAGQRHOQSD-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCOCC)CC1 ZINC001284928737 955320893 /nfs/dbraw/zinc/32/08/93/955320893.db2.gz QLUQZAGQRHOQSD-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCOCC)CC1 ZINC001284928737 955320920 /nfs/dbraw/zinc/32/09/20/955320920.db2.gz QLUQZAGQRHOQSD-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001491855913 959309712 /nfs/dbraw/zinc/30/97/12/959309712.db2.gz LUSAXZLQZZPAMX-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001316765280 960321329 /nfs/dbraw/zinc/32/13/29/960321329.db2.gz MYKKLJGAKZIDIB-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001316765280 960321340 /nfs/dbraw/zinc/32/13/40/960321340.db2.gz MYKKLJGAKZIDIB-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001316765280 960321346 /nfs/dbraw/zinc/32/13/46/960321346.db2.gz MYKKLJGAKZIDIB-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001379526439 963128290 /nfs/dbraw/zinc/12/82/90/963128290.db2.gz QJHGBKZXEIRTFQ-MRXNPFEDSA-N 2 1 318.421 0.465 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001369347935 964797045 /nfs/dbraw/zinc/79/70/45/964797045.db2.gz VIJBVAKYOTWFJP-GFCCVEGCSA-N 2 1 301.818 0.434 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001448818280 1014055293 /nfs/dbraw/zinc/05/52/93/1014055293.db2.gz BQVQZDLZNIIYEZ-RWMBFGLXSA-N 2 1 303.834 0.536 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001448818280 1014055297 /nfs/dbraw/zinc/05/52/97/1014055297.db2.gz BQVQZDLZNIIYEZ-RWMBFGLXSA-N 2 1 303.834 0.536 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001502603092 1015994019 /nfs/dbraw/zinc/99/40/19/1015994019.db2.gz GCXCALOZBBHBMM-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001401497851 1000454474 /nfs/dbraw/zinc/45/44/74/1000454474.db2.gz MLMRJVHOSVVZAN-HOTGVXAUSA-N 2 1 316.405 0.219 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001507727951 1016558549 /nfs/dbraw/zinc/55/85/49/1016558549.db2.gz LEKBOJLCBYZUDZ-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001507727951 1016558561 /nfs/dbraw/zinc/55/85/61/1016558561.db2.gz LEKBOJLCBYZUDZ-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001507727951 1016558571 /nfs/dbraw/zinc/55/85/71/1016558571.db2.gz LEKBOJLCBYZUDZ-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001507742654 1016559598 /nfs/dbraw/zinc/55/95/98/1016559598.db2.gz QIHLEJCCJIDKPY-QGZVFWFLSA-N 2 1 317.433 0.503 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001507742654 1016559612 /nfs/dbraw/zinc/55/96/12/1016559612.db2.gz QIHLEJCCJIDKPY-QGZVFWFLSA-N 2 1 317.433 0.503 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001507742654 1016559625 /nfs/dbraw/zinc/55/96/25/1016559625.db2.gz QIHLEJCCJIDKPY-QGZVFWFLSA-N 2 1 317.433 0.503 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001507742654 1016559634 /nfs/dbraw/zinc/55/96/34/1016559634.db2.gz QIHLEJCCJIDKPY-QGZVFWFLSA-N 2 1 317.433 0.503 20 30 DCEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001508065179 1016643199 /nfs/dbraw/zinc/64/31/99/1016643199.db2.gz YKBLHIAXZNYZKE-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001403917352 1002739102 /nfs/dbraw/zinc/73/91/02/1002739102.db2.gz VBMFVALJAIXRQX-ZDUSSCGKSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001403917352 1002739112 /nfs/dbraw/zinc/73/91/12/1002739112.db2.gz VBMFVALJAIXRQX-ZDUSSCGKSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001420774452 1002933669 /nfs/dbraw/zinc/93/36/69/1002933669.db2.gz FECHCTWPFWDZPO-CQSZACIVSA-N 2 1 315.845 0.946 20 30 DCEDMP C=C(Cl)CNC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001407587461 1004745175 /nfs/dbraw/zinc/74/51/75/1004745175.db2.gz AFVWPLNAYSMASI-UHFFFAOYSA-N 2 1 316.877 0.861 20 30 DCEDMP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC001423261438 1011024200 /nfs/dbraw/zinc/02/42/00/1011024200.db2.gz VHQYVBHBDRQALS-CQSZACIVSA-N 2 1 322.384 0.216 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001445983296 1012483375 /nfs/dbraw/zinc/48/33/75/1012483375.db2.gz CJUIHLIMOZEZDL-KBPBESRZSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001445983296 1012483388 /nfs/dbraw/zinc/48/33/88/1012483388.db2.gz CJUIHLIMOZEZDL-KBPBESRZSA-N 2 1 315.845 0.944 20 30 DCEDMP C[C@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC001479619978 1017605534 /nfs/dbraw/zinc/60/55/34/1017605534.db2.gz DLBFEGNLWQRRLJ-AWEZNQCLSA-N 2 1 310.442 0.038 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001479664397 1017643079 /nfs/dbraw/zinc/64/30/79/1017643079.db2.gz ZFQGNZZVPCPCJQ-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001479664397 1017643085 /nfs/dbraw/zinc/64/30/85/1017643085.db2.gz ZFQGNZZVPCPCJQ-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001479664397 1017643090 /nfs/dbraw/zinc/64/30/90/1017643090.db2.gz ZFQGNZZVPCPCJQ-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001506969482 1017715486 /nfs/dbraw/zinc/71/54/86/1017715486.db2.gz BHKAXDJDUMBCQS-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001506969482 1017715496 /nfs/dbraw/zinc/71/54/96/1017715496.db2.gz BHKAXDJDUMBCQS-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001506969482 1017715510 /nfs/dbraw/zinc/71/55/10/1017715510.db2.gz BHKAXDJDUMBCQS-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001479812984 1017813893 /nfs/dbraw/zinc/81/38/93/1017813893.db2.gz VPRAYZQBJWPJRE-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cnns1 ZINC001497207701 1017970472 /nfs/dbraw/zinc/97/04/72/1017970472.db2.gz KCMIZDGCRJKFQG-JSGCOSHPSA-N 2 1 321.450 0.620 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cnns1 ZINC001497207701 1017970477 /nfs/dbraw/zinc/97/04/77/1017970477.db2.gz KCMIZDGCRJKFQG-JSGCOSHPSA-N 2 1 321.450 0.620 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001499620510 1017999734 /nfs/dbraw/zinc/99/97/34/1017999734.db2.gz XDTLJRUKNNLZCC-WMZOPIPTSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001499620510 1017999746 /nfs/dbraw/zinc/99/97/46/1017999746.db2.gz XDTLJRUKNNLZCC-WMZOPIPTSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001499620510 1017999757 /nfs/dbraw/zinc/99/97/57/1017999757.db2.gz XDTLJRUKNNLZCC-WMZOPIPTSA-N 2 1 319.449 0.512 20 30 DCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497443224 1018139688 /nfs/dbraw/zinc/13/96/88/1018139688.db2.gz MUUZBNSWCFWUAT-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC#C)CC1 ZINC001500038297 1018184998 /nfs/dbraw/zinc/18/49/98/1018184998.db2.gz XXVBMZQJCRJUKM-NVXWUHKLSA-N 2 1 301.434 0.886 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001497766222 1018398979 /nfs/dbraw/zinc/39/89/79/1018398979.db2.gz UKUXVMLGPMZIBF-SQRWCISFSA-N 2 1 307.438 0.773 20 30 DCEDMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001500418325 1018445269 /nfs/dbraw/zinc/44/52/69/1018445269.db2.gz TYCXVTTXTKMRNR-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001500418325 1018445274 /nfs/dbraw/zinc/44/52/74/1018445274.db2.gz TYCXVTTXTKMRNR-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001480354666 1018461704 /nfs/dbraw/zinc/46/17/04/1018461704.db2.gz BRDAAKLZOFJVDQ-INIZCTEOSA-N 2 1 318.421 0.812 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001480368146 1018469778 /nfs/dbraw/zinc/46/97/78/1018469778.db2.gz WJXIFIRBLLAUPN-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001500715201 1018607489 /nfs/dbraw/zinc/60/74/89/1018607489.db2.gz TVFHFZPWESPKEW-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001500715201 1018607497 /nfs/dbraw/zinc/60/74/97/1018607497.db2.gz TVFHFZPWESPKEW-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001500715201 1018607504 /nfs/dbraw/zinc/60/75/04/1018607504.db2.gz TVFHFZPWESPKEW-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC[C@@H]1CCOC1 ZINC001498054928 1018617475 /nfs/dbraw/zinc/61/74/75/1018617475.db2.gz GCHBSKHSSXKIHA-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC[C@@H]1CCOC1 ZINC001498054928 1018617483 /nfs/dbraw/zinc/61/74/83/1018617483.db2.gz GCHBSKHSSXKIHA-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNC(=O)CC[NH+](C)C ZINC001495686598 1018650192 /nfs/dbraw/zinc/65/01/92/1018650192.db2.gz DOBYMOUFJUCOLG-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNC(=O)CC[NH+](C)C ZINC001495686598 1018650194 /nfs/dbraw/zinc/65/01/94/1018650194.db2.gz DOBYMOUFJUCOLG-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001498132208 1018676627 /nfs/dbraw/zinc/67/66/27/1018676627.db2.gz KCFSOSUIFXIPPF-HOTGVXAUSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314408 1018939652 /nfs/dbraw/zinc/93/96/52/1018939652.db2.gz SFCBHUAKFUDDEC-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314408 1018939670 /nfs/dbraw/zinc/93/96/70/1018939670.db2.gz SFCBHUAKFUDDEC-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314408 1018939687 /nfs/dbraw/zinc/93/96/87/1018939687.db2.gz SFCBHUAKFUDDEC-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314408 1018939697 /nfs/dbraw/zinc/93/96/97/1018939697.db2.gz SFCBHUAKFUDDEC-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001501342251 1019073894 /nfs/dbraw/zinc/07/38/94/1019073894.db2.gz WOBLNXRRTAJLQP-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001501342251 1019073911 /nfs/dbraw/zinc/07/39/11/1019073911.db2.gz WOBLNXRRTAJLQP-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001501342251 1019073929 /nfs/dbraw/zinc/07/39/29/1019073929.db2.gz WOBLNXRRTAJLQP-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001501342251 1019073950 /nfs/dbraw/zinc/07/39/50/1019073950.db2.gz WOBLNXRRTAJLQP-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP CNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267457938 530039379 /nfs/dbraw/zinc/03/93/79/530039379.db2.gz UEYWLERLDOXBFY-AWEZNQCLSA-N 2 1 303.410 0.418 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc2c(c1)OCO2 ZINC000264136262 238192491 /nfs/dbraw/zinc/19/24/91/238192491.db2.gz VIIYGYKNKHHTEV-UHFFFAOYSA-N 2 1 320.393 0.542 20 30 DCEDMP CCc1noc(CC)c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267908662 238238895 /nfs/dbraw/zinc/23/88/95/238238895.db2.gz BHXJRWACJMQNFR-UHFFFAOYSA-N 2 1 323.441 0.926 20 30 DCEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273038239 238286830 /nfs/dbraw/zinc/28/68/30/238286830.db2.gz ZCQGMLKYSHIBCE-CZUORRHYSA-N 2 1 320.437 0.692 20 30 DCEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129802039 395921336 /nfs/dbraw/zinc/92/13/36/395921336.db2.gz GUVVKCVNNURGAX-MRXNPFEDSA-N 2 1 323.485 0.564 20 30 DCEDMP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000598718496 397283270 /nfs/dbraw/zinc/28/32/70/397283270.db2.gz FLUVPLIQSGVDGS-JKSUJKDBSA-N 2 1 324.469 0.283 20 30 DCEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598718073 397283633 /nfs/dbraw/zinc/28/36/33/397283633.db2.gz CCEMJDUTIGNJFQ-HNNXBMFYSA-N 2 1 324.469 0.819 20 30 DCEDMP CCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329380779 416166390 /nfs/dbraw/zinc/16/63/90/416166390.db2.gz PZHBECHTGXPYGP-OAHLLOKOSA-N 2 1 311.474 0.610 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)CC1)C1=CC[N@H+](C)CC1 ZINC000329385695 416167214 /nfs/dbraw/zinc/16/72/14/416167214.db2.gz QAEPRJYITPLSCK-UONOGXRCSA-N 2 1 310.442 0.549 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329385695 416167216 /nfs/dbraw/zinc/16/72/16/416167216.db2.gz QAEPRJYITPLSCK-UONOGXRCSA-N 2 1 310.442 0.549 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000491375151 416598209 /nfs/dbraw/zinc/59/82/09/416598209.db2.gz URUDICBEAOZAJX-OAHLLOKOSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000491375151 416598211 /nfs/dbraw/zinc/59/82/11/416598211.db2.gz URUDICBEAOZAJX-OAHLLOKOSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000491375151 416598215 /nfs/dbraw/zinc/59/82/15/416598215.db2.gz URUDICBEAOZAJX-OAHLLOKOSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000491709819 416618638 /nfs/dbraw/zinc/61/86/38/416618638.db2.gz XINAWWKCQVLFPM-JKSUJKDBSA-N 2 1 306.454 0.973 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000491742908 416621497 /nfs/dbraw/zinc/62/14/97/416621497.db2.gz HHBDJXRHKWUWJG-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000491742908 416621501 /nfs/dbraw/zinc/62/15/01/416621501.db2.gz HHBDJXRHKWUWJG-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000491742908 416621503 /nfs/dbraw/zinc/62/15/03/416621503.db2.gz HHBDJXRHKWUWJG-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000491784193 416628280 /nfs/dbraw/zinc/62/82/80/416628280.db2.gz SFXAGESFOHHVMW-OAHLLOKOSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000491784193 416628283 /nfs/dbraw/zinc/62/82/83/416628283.db2.gz SFXAGESFOHHVMW-OAHLLOKOSA-N 2 1 310.442 0.209 20 30 DCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000621372444 417282491 /nfs/dbraw/zinc/28/24/91/417282491.db2.gz VVLWXLNEHLPWND-MHORFTMASA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000621372444 417282499 /nfs/dbraw/zinc/28/24/99/417282499.db2.gz VVLWXLNEHLPWND-MHORFTMASA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000621372444 417282506 /nfs/dbraw/zinc/28/25/06/417282506.db2.gz VVLWXLNEHLPWND-MHORFTMASA-N 2 1 308.466 0.890 20 30 DCEDMP C[NH+]1C[C@H]2CCN(CC#CCN3CC[C@H]4C[N@H+](C)C[C@H]43)[C@H]2C1 ZINC000644733053 417651084 /nfs/dbraw/zinc/65/10/84/417651084.db2.gz LGGCLXGYBHYWTC-FZDBZEDMSA-N 2 1 302.466 0.262 20 30 DCEDMP C[NH+]1C[C@@H]2CCN(CC#CCN3CC[C@@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000644733053 417651085 /nfs/dbraw/zinc/65/10/85/417651085.db2.gz LGGCLXGYBHYWTC-FZDBZEDMSA-N 2 1 302.466 0.262 20 30 DCEDMP C[NH+]1C[C@@H]2CCN(CC#CCN3CC[C@@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000644733053 417651090 /nfs/dbraw/zinc/65/10/90/417651090.db2.gz LGGCLXGYBHYWTC-FZDBZEDMSA-N 2 1 302.466 0.262 20 30 DCEDMP C=CC[C@]1(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662758891 417894821 /nfs/dbraw/zinc/89/48/21/417894821.db2.gz VASVDNDCAKYQEN-NVXWUHKLSA-N 2 1 308.470 0.684 20 30 DCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262535941 277102165 /nfs/dbraw/zinc/10/21/65/277102165.db2.gz PNXQJSRFEZMFFH-UKRRQHHQSA-N 2 1 317.437 0.660 20 30 DCEDMP C[C@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccco1 ZINC000267405073 333983099 /nfs/dbraw/zinc/98/30/99/333983099.db2.gz GTDOEVNBHVHQMD-HNNXBMFYSA-N 2 1 310.398 0.114 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cn2c(n1)SCC2 ZINC000274346763 334060210 /nfs/dbraw/zinc/06/02/10/334060210.db2.gz QXWBWLJYAWDHJG-ZDUSSCGKSA-N 2 1 322.482 0.920 20 30 DCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436060909 338256964 /nfs/dbraw/zinc/25/69/64/338256964.db2.gz SCSHXJDIYQXMPH-HNNXBMFYSA-N 2 1 322.453 0.507 20 30 DCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436060909 338256965 /nfs/dbraw/zinc/25/69/65/338256965.db2.gz SCSHXJDIYQXMPH-HNNXBMFYSA-N 2 1 322.453 0.507 20 30 DCEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261984081 526392049 /nfs/dbraw/zinc/39/20/49/526392049.db2.gz POUDDGJICQIMML-DGCLKSJQSA-N 2 1 317.441 0.372 20 30 DCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCC(C(=O)OC)CC1 ZINC000262576141 526413049 /nfs/dbraw/zinc/41/30/49/526413049.db2.gz OIXVNWUNBUHLCU-UHFFFAOYSA-N 2 1 307.398 0.652 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(CC)CC2)CC1 ZINC000358222417 526420722 /nfs/dbraw/zinc/42/07/22/526420722.db2.gz IOOWMYOKDMNJCI-UHFFFAOYSA-N 2 1 308.470 0.781 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCOC)CC2)CC1 ZINC000377487831 526918114 /nfs/dbraw/zinc/91/81/14/526918114.db2.gz JYMISZMJNPIJQM-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)[C@@H]1CCC[NH+]1C ZINC000329103052 546043545 /nfs/dbraw/zinc/04/35/45/546043545.db2.gz NMUMFSGNRSRPRY-RDBSUJKOSA-N 2 1 310.442 0.978 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000329103052 546043548 /nfs/dbraw/zinc/04/35/48/546043548.db2.gz NMUMFSGNRSRPRY-RDBSUJKOSA-N 2 1 310.442 0.978 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000329103052 546043553 /nfs/dbraw/zinc/04/35/53/546043553.db2.gz NMUMFSGNRSRPRY-RDBSUJKOSA-N 2 1 310.442 0.978 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978347506 660525950 /nfs/dbraw/zinc/52/59/50/660525950.db2.gz DAWHVSGMLUJFKQ-DGXTUMSLSA-N 2 1 305.422 0.023 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978347506 660525951 /nfs/dbraw/zinc/52/59/51/660525951.db2.gz DAWHVSGMLUJFKQ-DGXTUMSLSA-N 2 1 305.422 0.023 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978347506 660525952 /nfs/dbraw/zinc/52/59/52/660525952.db2.gz DAWHVSGMLUJFKQ-DGXTUMSLSA-N 2 1 305.422 0.023 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978347506 660525953 /nfs/dbraw/zinc/52/59/53/660525953.db2.gz DAWHVSGMLUJFKQ-DGXTUMSLSA-N 2 1 305.422 0.023 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978347506 660525954 /nfs/dbraw/zinc/52/59/54/660525954.db2.gz DAWHVSGMLUJFKQ-DGXTUMSLSA-N 2 1 305.422 0.023 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978644321 660579908 /nfs/dbraw/zinc/57/99/08/660579908.db2.gz ZNXNHTIUVCDKOS-WCXIOVBPSA-N 2 1 319.449 0.413 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978644321 660579910 /nfs/dbraw/zinc/57/99/10/660579910.db2.gz ZNXNHTIUVCDKOS-WCXIOVBPSA-N 2 1 319.449 0.413 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978644321 660579911 /nfs/dbraw/zinc/57/99/11/660579911.db2.gz ZNXNHTIUVCDKOS-WCXIOVBPSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)c2cc(CN(C)C)on2)CC1 ZINC000981514503 661163638 /nfs/dbraw/zinc/16/36/38/661163638.db2.gz ZHUCRAJPFQITLI-UHFFFAOYSA-N 2 1 304.394 0.907 20 30 DCEDMP C#CCCN1CCCN(C(=O)c2cc(CN(C)C)on2)CC1 ZINC000981514503 661163640 /nfs/dbraw/zinc/16/36/40/661163640.db2.gz ZHUCRAJPFQITLI-UHFFFAOYSA-N 2 1 304.394 0.907 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028195607 661270554 /nfs/dbraw/zinc/27/05/54/661270554.db2.gz RZYBJNMMPFILBP-MRXNPFEDSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001022220549 657566260 /nfs/dbraw/zinc/56/62/60/657566260.db2.gz JFOMAZGQQQHCGO-GUTXKFCHSA-N 2 1 318.446 0.978 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001022220549 657566264 /nfs/dbraw/zinc/56/62/64/657566264.db2.gz JFOMAZGQQQHCGO-GUTXKFCHSA-N 2 1 318.446 0.978 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001022220714 657566774 /nfs/dbraw/zinc/56/67/74/657566774.db2.gz LGQKDLILRSHXFL-NXOAAHMSSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001022220714 657566779 /nfs/dbraw/zinc/56/67/79/657566779.db2.gz LGQKDLILRSHXFL-NXOAAHMSSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C[NH+](C)C)OCC)C1 ZINC000924037835 657675817 /nfs/dbraw/zinc/67/58/17/657675817.db2.gz VLYWHRZMYCACTO-LSDHHAIUSA-N 2 1 310.442 0.350 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C[NH+](C)C)OCC)C1 ZINC000924037835 657675820 /nfs/dbraw/zinc/67/58/20/657675820.db2.gz VLYWHRZMYCACTO-LSDHHAIUSA-N 2 1 310.442 0.350 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969493 658106744 /nfs/dbraw/zinc/10/67/44/658106744.db2.gz NWLIPYCFQFYHNG-KRIMKBQASA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971969493 658106749 /nfs/dbraw/zinc/10/67/49/658106749.db2.gz NWLIPYCFQFYHNG-KRIMKBQASA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971969493 658106752 /nfs/dbraw/zinc/10/67/52/658106752.db2.gz NWLIPYCFQFYHNG-KRIMKBQASA-N 2 1 303.406 0.016 20 30 DCEDMP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969834317 658191043 /nfs/dbraw/zinc/19/10/43/658191043.db2.gz XJJHCTSUBQZBGG-RHSMWYFYSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969834317 658191045 /nfs/dbraw/zinc/19/10/45/658191045.db2.gz XJJHCTSUBQZBGG-RHSMWYFYSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969834317 658191048 /nfs/dbraw/zinc/19/10/48/658191048.db2.gz XJJHCTSUBQZBGG-RHSMWYFYSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972673927 658222612 /nfs/dbraw/zinc/22/26/12/658222612.db2.gz MCOPTAXXQQDRAK-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295138 658532413 /nfs/dbraw/zinc/53/24/13/658532413.db2.gz QYTSNOQKSSPSEA-NVXWUHKLSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972295138 658532420 /nfs/dbraw/zinc/53/24/20/658532420.db2.gz QYTSNOQKSSPSEA-NVXWUHKLSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389196 658699826 /nfs/dbraw/zinc/69/98/26/658699826.db2.gz IGRYUCLKVBUGHJ-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389196 658699831 /nfs/dbraw/zinc/69/98/31/658699831.db2.gz IGRYUCLKVBUGHJ-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389196 658699838 /nfs/dbraw/zinc/69/98/38/658699838.db2.gz IGRYUCLKVBUGHJ-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389196 658699849 /nfs/dbraw/zinc/69/98/49/658699849.db2.gz IGRYUCLKVBUGHJ-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027440774 659480588 /nfs/dbraw/zinc/48/05/88/659480588.db2.gz KKHZQUUBJARECK-JKSUJKDBSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027440774 659480593 /nfs/dbraw/zinc/48/05/93/659480593.db2.gz KKHZQUUBJARECK-JKSUJKDBSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850449 659694989 /nfs/dbraw/zinc/69/49/89/659694989.db2.gz HZIPCVATTRDYJB-DGSCNEQVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850449 659694992 /nfs/dbraw/zinc/69/49/92/659694992.db2.gz HZIPCVATTRDYJB-DGSCNEQVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850449 659694994 /nfs/dbraw/zinc/69/49/94/659694994.db2.gz HZIPCVATTRDYJB-DGSCNEQVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850449 659694997 /nfs/dbraw/zinc/69/49/97/659694997.db2.gz HZIPCVATTRDYJB-DGSCNEQVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969363 659744135 /nfs/dbraw/zinc/74/41/35/659744135.db2.gz JBBCWLNEEIUKGN-CVEARBPZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969363 659744141 /nfs/dbraw/zinc/74/41/41/659744141.db2.gz JBBCWLNEEIUKGN-CVEARBPZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969363 659744144 /nfs/dbraw/zinc/74/41/44/659744144.db2.gz JBBCWLNEEIUKGN-CVEARBPZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969363 659744148 /nfs/dbraw/zinc/74/41/48/659744148.db2.gz JBBCWLNEEIUKGN-CVEARBPZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020394 665732201 /nfs/dbraw/zinc/73/22/01/665732201.db2.gz MMJGLFIVILUIPZ-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCO)C3)CC1 ZINC000982162298 661298177 /nfs/dbraw/zinc/29/81/77/661298177.db2.gz MQVGALOQPLWXCE-UHFFFAOYSA-N 2 1 319.449 0.248 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000896487815 662274567 /nfs/dbraw/zinc/27/45/67/662274567.db2.gz DIGBQOSDVVVPNY-OAHLLOKOSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000896487815 662274569 /nfs/dbraw/zinc/27/45/69/662274569.db2.gz DIGBQOSDVVVPNY-OAHLLOKOSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)O)CC1 ZINC001029596301 662423124 /nfs/dbraw/zinc/42/31/24/662423124.db2.gz JDRGBCRDIWVAOI-BHYGNILZSA-N 2 1 319.449 0.388 20 30 DCEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000262511796 662436265 /nfs/dbraw/zinc/43/62/65/662436265.db2.gz DMCLJYWGSUKOMP-MRXNPFEDSA-N 2 1 303.454 0.940 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCOC)C2)CC1 ZINC000729979239 662914801 /nfs/dbraw/zinc/91/48/01/662914801.db2.gz CHYCOQRNUSKTDZ-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)COC)CC1 ZINC001000786939 665935065 /nfs/dbraw/zinc/93/50/65/665935065.db2.gz DIWCYAHVMVCQAM-WBVHZDCISA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H](C)COC)CC1 ZINC001000786939 665935069 /nfs/dbraw/zinc/93/50/69/665935069.db2.gz DIWCYAHVMVCQAM-WBVHZDCISA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)COC)CC1 ZINC001000786939 665935071 /nfs/dbraw/zinc/93/50/71/665935071.db2.gz DIWCYAHVMVCQAM-WBVHZDCISA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@H](C)COC)CC1 ZINC001000786939 665935074 /nfs/dbraw/zinc/93/50/74/665935074.db2.gz DIWCYAHVMVCQAM-WBVHZDCISA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@H](C)COC)CC1 ZINC001000786939 665935076 /nfs/dbraw/zinc/93/50/76/665935076.db2.gz DIWCYAHVMVCQAM-WBVHZDCISA-N 2 1 319.449 0.867 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000900726924 663272797 /nfs/dbraw/zinc/27/27/97/663272797.db2.gz XZUGSSZVGRNXKJ-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000900733024 663276914 /nfs/dbraw/zinc/27/69/14/663276914.db2.gz QNUVXOTUIVESKD-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001075330 665990200 /nfs/dbraw/zinc/99/02/00/665990200.db2.gz GWAZDIAXCUBXQD-QGZVFWFLSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075330 665990201 /nfs/dbraw/zinc/99/02/01/665990201.db2.gz GWAZDIAXCUBXQD-QGZVFWFLSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075330 665990202 /nfs/dbraw/zinc/99/02/02/665990202.db2.gz GWAZDIAXCUBXQD-QGZVFWFLSA-N 2 1 319.449 0.867 20 30 DCEDMP CCOC(=O)C[C@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000089596151 664960215 /nfs/dbraw/zinc/96/02/15/664960215.db2.gz YNPFNOAWLACRSE-ZDUSSCGKSA-N 2 1 314.430 0.202 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC[C@@H]3CCCO3)C2)CC1 ZINC001031435205 665149668 /nfs/dbraw/zinc/14/96/68/665149668.db2.gz TXLWTYYTZQTFRJ-KRWDZBQOSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCN(C(=O)NCC[NH+]1CCSCC1)C1CC[NH+](C)CC1 ZINC000918216195 665160594 /nfs/dbraw/zinc/16/05/94/665160594.db2.gz IZQPQYHAOYHVSB-UHFFFAOYSA-N 2 1 324.494 0.774 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530260 665312964 /nfs/dbraw/zinc/31/29/64/665312964.db2.gz IZDMGSYFFHWNGE-XJADACSNSA-N 2 1 317.433 0.711 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032530260 665312968 /nfs/dbraw/zinc/31/29/68/665312968.db2.gz IZDMGSYFFHWNGE-XJADACSNSA-N 2 1 317.433 0.711 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032530260 665312971 /nfs/dbraw/zinc/31/29/71/665312971.db2.gz IZDMGSYFFHWNGE-XJADACSNSA-N 2 1 317.433 0.711 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941545282 666018251 /nfs/dbraw/zinc/01/82/51/666018251.db2.gz VUPFPTZRBUGHTE-UHFFFAOYSA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001426883 666050832 /nfs/dbraw/zinc/05/08/32/666050832.db2.gz XVMKYRPFWNMAGZ-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2C)CC1 ZINC000945178666 666577100 /nfs/dbraw/zinc/57/71/00/666577100.db2.gz FZORXFCTOSIUQL-NVXWUHKLSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489957 666731000 /nfs/dbraw/zinc/73/10/00/666731000.db2.gz LJQSWGOYITZEFA-OAHLLOKOSA-N 2 1 303.410 0.224 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489957 666731002 /nfs/dbraw/zinc/73/10/02/666731002.db2.gz LJQSWGOYITZEFA-OAHLLOKOSA-N 2 1 303.410 0.224 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000996668310 666852560 /nfs/dbraw/zinc/85/25/60/666852560.db2.gz CSSVYVZHFMFSQB-QGZVFWFLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996685173 666860669 /nfs/dbraw/zinc/86/06/69/666860669.db2.gz MYFUDSXYJAGMRF-INIZCTEOSA-N 2 1 316.405 0.853 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996685173 666860671 /nfs/dbraw/zinc/86/06/71/666860671.db2.gz MYFUDSXYJAGMRF-INIZCTEOSA-N 2 1 316.405 0.853 20 30 DCEDMP C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905454 666863879 /nfs/dbraw/zinc/86/38/79/666863879.db2.gz LEYADBDOYMSNDN-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905454 666863882 /nfs/dbraw/zinc/86/38/82/666863882.db2.gz LEYADBDOYMSNDN-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905454 666863884 /nfs/dbraw/zinc/86/38/84/666863884.db2.gz LEYADBDOYMSNDN-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905454 666863888 /nfs/dbraw/zinc/86/38/88/666863888.db2.gz LEYADBDOYMSNDN-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907975 666865498 /nfs/dbraw/zinc/86/54/98/666865498.db2.gz WJKCBZSJIWTJCE-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033907975 666865500 /nfs/dbraw/zinc/86/55/00/666865500.db2.gz WJKCBZSJIWTJCE-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033907975 666865502 /nfs/dbraw/zinc/86/55/02/666865502.db2.gz WJKCBZSJIWTJCE-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@H](C)O)C2)CC1 ZINC001034537993 667064120 /nfs/dbraw/zinc/06/41/20/667064120.db2.gz GWLBSTHZEOFZTP-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001034654044 667091488 /nfs/dbraw/zinc/09/14/88/667091488.db2.gz WOLLSELWLHKNEH-KLHDSHLOSA-N 2 1 305.422 0.500 20 30 DCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCOCC1 ZINC000863550886 667156714 /nfs/dbraw/zinc/15/67/14/667156714.db2.gz DSCQABQIIGHTBZ-OWCLPIDISA-N 2 1 323.437 0.511 20 30 DCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCOCC1 ZINC000863550886 667156717 /nfs/dbraw/zinc/15/67/17/667156717.db2.gz DSCQABQIIGHTBZ-OWCLPIDISA-N 2 1 323.437 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC001035194789 667269433 /nfs/dbraw/zinc/26/94/33/667269433.db2.gz DJILIGGSBABBEN-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035194789 667269435 /nfs/dbraw/zinc/26/94/35/667269435.db2.gz DJILIGGSBABBEN-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCO)C2)CC1 ZINC001035194789 667269438 /nfs/dbraw/zinc/26/94/38/667269438.db2.gz DJILIGGSBABBEN-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCO)C2)CC1 ZINC001035194789 667269440 /nfs/dbraw/zinc/26/94/40/667269440.db2.gz DJILIGGSBABBEN-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997434175 667286445 /nfs/dbraw/zinc/28/64/45/667286445.db2.gz HGYRJSOVKZSLLB-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997434175 667286447 /nfs/dbraw/zinc/28/64/47/667286447.db2.gz HGYRJSOVKZSLLB-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035371449 667309070 /nfs/dbraw/zinc/30/90/70/667309070.db2.gz SZRIEHUXZPCQOI-HZPDHXFCSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035371449 667309071 /nfs/dbraw/zinc/30/90/71/667309071.db2.gz SZRIEHUXZPCQOI-HZPDHXFCSA-N 2 1 305.422 0.169 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035733164 667405658 /nfs/dbraw/zinc/40/56/58/667405658.db2.gz NJFWPVKFKMRSPK-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035733164 667405660 /nfs/dbraw/zinc/40/56/60/667405660.db2.gz NJFWPVKFKMRSPK-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C[NH+]1CCOCC1 ZINC000884205867 667498523 /nfs/dbraw/zinc/49/85/23/667498523.db2.gz HRRNMGNIEUFENH-BOLLXYOYSA-N 2 1 320.437 0.210 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884249545 667508968 /nfs/dbraw/zinc/50/89/68/667508968.db2.gz NKTVVRXQHUFISC-GGZOMVNGSA-N 2 1 312.295 0.933 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC000870083632 667708337 /nfs/dbraw/zinc/70/83/37/667708337.db2.gz XVSASKHWABCQLF-SJORKVTESA-N 2 1 313.401 0.963 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC000870083632 667708338 /nfs/dbraw/zinc/70/83/38/667708338.db2.gz XVSASKHWABCQLF-SJORKVTESA-N 2 1 313.401 0.963 20 30 DCEDMP C#CC[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000886353192 667759055 /nfs/dbraw/zinc/75/90/55/667759055.db2.gz DFAKUXFOKMPBQU-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000886353192 667759056 /nfs/dbraw/zinc/75/90/56/667759056.db2.gz DFAKUXFOKMPBQU-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000886353192 667759058 /nfs/dbraw/zinc/75/90/58/667759058.db2.gz DFAKUXFOKMPBQU-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCN(C(=O)[C@H](C)[NH+]1CCSCC1)C1CC[NH+](C)CC1 ZINC000886580159 667778448 /nfs/dbraw/zinc/77/84/48/667778448.db2.gz XSMPBITXRVCRNF-AWEZNQCLSA-N 2 1 309.479 0.980 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000890370929 668123963 /nfs/dbraw/zinc/12/39/63/668123963.db2.gz IZFVGIQKPDIELC-INIZCTEOSA-N 3 1 323.485 0.219 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000890370929 668123968 /nfs/dbraw/zinc/12/39/68/668123968.db2.gz IZFVGIQKPDIELC-INIZCTEOSA-N 3 1 323.485 0.219 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926488887 668409415 /nfs/dbraw/zinc/40/94/15/668409415.db2.gz BNBHJSLANZEQOM-LBPRGKRZSA-N 2 1 314.389 0.822 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926488887 668409417 /nfs/dbraw/zinc/40/94/17/668409417.db2.gz BNBHJSLANZEQOM-LBPRGKRZSA-N 2 1 314.389 0.822 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000876715847 668494292 /nfs/dbraw/zinc/49/42/92/668494292.db2.gz BOQIAUIDFHXJEX-OLZOCXBDSA-N 2 1 303.834 0.929 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000876780892 668509625 /nfs/dbraw/zinc/50/96/25/668509625.db2.gz IXXNZVRONCSADV-AWEZNQCLSA-N 2 1 316.877 0.990 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000876782961 668510240 /nfs/dbraw/zinc/51/02/40/668510240.db2.gz XBYCSKJUBJOBNJ-AAEUAGOBSA-N 2 1 302.850 0.456 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000950381053 670012233 /nfs/dbraw/zinc/01/22/33/670012233.db2.gz HNKDJLHHLLTESQ-HOCLYGCPSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000950381053 670012234 /nfs/dbraw/zinc/01/22/34/670012234.db2.gz HNKDJLHHLLTESQ-HOCLYGCPSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)[C@@H](C)C2)CC1 ZINC000948070765 670053281 /nfs/dbraw/zinc/05/32/81/670053281.db2.gz SFFMKLLTUPOQPZ-DOTOQJQBSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001006437734 670201749 /nfs/dbraw/zinc/20/17/49/670201749.db2.gz RZKSTMLWFOFZMX-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006437734 670201753 /nfs/dbraw/zinc/20/17/53/670201753.db2.gz RZKSTMLWFOFZMX-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036856469 670223188 /nfs/dbraw/zinc/22/31/88/670223188.db2.gz RVDWZHYGIYHCFY-RDJZCZTQSA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380470 670328073 /nfs/dbraw/zinc/32/80/73/670328073.db2.gz HRTPFUDFIAYDAM-PQUAAJSLSA-N 2 1 319.449 0.960 20 30 DCEDMP C[NH+](C)CCN1c2ccccc2C(=NN2CC[NH+](C)CC2)C1=O ZINC000807943631 670383145 /nfs/dbraw/zinc/38/31/45/670383145.db2.gz OOLZCVWRHULJMN-UHFFFAOYSA-N 2 1 315.421 0.546 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000836486462 671825944 /nfs/dbraw/zinc/82/59/44/671825944.db2.gz DXDYFNGHNSQNRJ-UHFFFAOYSA-N 2 1 315.421 0.868 20 30 DCEDMP C#CC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000842634075 672023452 /nfs/dbraw/zinc/02/34/52/672023452.db2.gz OJYQZDOMEWVGSO-UHFFFAOYSA-N 2 1 304.394 0.305 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001691535758 1158318494 /nfs/dbraw/zinc/31/84/94/1158318494.db2.gz KAZFZGMVDHUKPS-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C[C@H]1CCCN(C(=[NH2+])NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000303979178 685209264 /nfs/dbraw/zinc/20/92/64/685209264.db2.gz MUEYEPMZAXIRLA-LSDHHAIUSA-N 2 1 323.485 0.976 20 30 DCEDMP CC(C)OCCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000305839783 685217848 /nfs/dbraw/zinc/21/78/48/685217848.db2.gz YPSGMRKAJNUUHJ-UHFFFAOYSA-N 2 1 300.447 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038530479 694107144 /nfs/dbraw/zinc/10/71/44/694107144.db2.gz ADVGWPVSUOKBKJ-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038530479 694107147 /nfs/dbraw/zinc/10/71/47/694107147.db2.gz ADVGWPVSUOKBKJ-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038530479 694107148 /nfs/dbraw/zinc/10/71/48/694107148.db2.gz ADVGWPVSUOKBKJ-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038530479 694107151 /nfs/dbraw/zinc/10/71/51/694107151.db2.gz ADVGWPVSUOKBKJ-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958170940 687402749 /nfs/dbraw/zinc/40/27/49/687402749.db2.gz CLVSJNPGJBVYQL-JKSUJKDBSA-N 2 1 321.465 0.847 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554939 687741452 /nfs/dbraw/zinc/74/14/52/687741452.db2.gz JCSMTWJFBFBGPH-SJORKVTESA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCC)C[C@@H]2O)CC1 ZINC000958724132 687876850 /nfs/dbraw/zinc/87/68/50/687876850.db2.gz LWUNNILNZWTRIG-HOTGVXAUSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990589 690784479 /nfs/dbraw/zinc/78/44/79/690784479.db2.gz OTERQRFYVKJACT-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990589 690784484 /nfs/dbraw/zinc/78/44/84/690784484.db2.gz OTERQRFYVKJACT-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007990589 690784485 /nfs/dbraw/zinc/78/44/85/690784485.db2.gz OTERQRFYVKJACT-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007990589 690784490 /nfs/dbraw/zinc/78/44/90/690784490.db2.gz OTERQRFYVKJACT-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136135 694496486 /nfs/dbraw/zinc/49/64/86/694496486.db2.gz DNWLBDWKARTORO-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136135 694496489 /nfs/dbraw/zinc/49/64/89/694496489.db2.gz DNWLBDWKARTORO-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136135 694496492 /nfs/dbraw/zinc/49/64/92/694496492.db2.gz DNWLBDWKARTORO-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136135 694496494 /nfs/dbraw/zinc/49/64/94/694496494.db2.gz DNWLBDWKARTORO-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712680 692078653 /nfs/dbraw/zinc/07/86/53/692078653.db2.gz UZNQUKGDXBCEMO-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712680 692078656 /nfs/dbraw/zinc/07/86/56/692078656.db2.gz UZNQUKGDXBCEMO-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014712680 692078657 /nfs/dbraw/zinc/07/86/57/692078657.db2.gz UZNQUKGDXBCEMO-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014712680 692078659 /nfs/dbraw/zinc/07/86/59/692078659.db2.gz UZNQUKGDXBCEMO-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016687093 692747617 /nfs/dbraw/zinc/74/76/17/692747617.db2.gz CNQDOWCGMRMMBR-OAGGEKHMSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016687093 692747621 /nfs/dbraw/zinc/74/76/21/692747621.db2.gz CNQDOWCGMRMMBR-OAGGEKHMSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985903 692821424 /nfs/dbraw/zinc/82/14/24/692821424.db2.gz LXJFPSRFMLHJOO-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985903 692821426 /nfs/dbraw/zinc/82/14/26/692821426.db2.gz LXJFPSRFMLHJOO-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC001072746308 694659753 /nfs/dbraw/zinc/65/97/53/694659753.db2.gz GURIRBRZTKMWHW-UHFFFAOYSA-N 2 1 315.421 0.226 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)COC)C2 ZINC001072822414 694670559 /nfs/dbraw/zinc/67/05/59/694670559.db2.gz GCWGIDOKHSBEMS-CVEARBPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)COC)C2 ZINC001072822414 694670560 /nfs/dbraw/zinc/67/05/60/694670560.db2.gz GCWGIDOKHSBEMS-CVEARBPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)COC)C2 ZINC001072822414 694670561 /nfs/dbraw/zinc/67/05/61/694670561.db2.gz GCWGIDOKHSBEMS-CVEARBPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)COC)C2 ZINC001072822414 694670562 /nfs/dbraw/zinc/67/05/62/694670562.db2.gz GCWGIDOKHSBEMS-CVEARBPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798916 694977457 /nfs/dbraw/zinc/97/74/57/694977457.db2.gz SYHPFMNETVHSHD-YESZJQIVSA-N 2 1 301.434 0.884 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576305 695029259 /nfs/dbraw/zinc/02/92/59/695029259.db2.gz FJBIGHORPRMZDF-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576305 695029260 /nfs/dbraw/zinc/02/92/60/695029260.db2.gz FJBIGHORPRMZDF-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999139 695121754 /nfs/dbraw/zinc/12/17/54/695121754.db2.gz FTSPONKSCVTULT-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999139 695121757 /nfs/dbraw/zinc/12/17/57/695121757.db2.gz FTSPONKSCVTULT-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cnon2)CC1 ZINC001570654072 1162575852 /nfs/dbraw/zinc/57/58/52/1162575852.db2.gz ZRAVQIRRTAHHFV-OLZOCXBDSA-N 2 1 319.409 0.398 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001571328705 1162701698 /nfs/dbraw/zinc/70/16/98/1162701698.db2.gz DIYMZCPCPOTIJO-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001571328705 1162701704 /nfs/dbraw/zinc/70/17/04/1162701704.db2.gz DIYMZCPCPOTIJO-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001571328705 1162701712 /nfs/dbraw/zinc/70/17/12/1162701712.db2.gz DIYMZCPCPOTIJO-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001571440423 1162756706 /nfs/dbraw/zinc/75/67/06/1162756706.db2.gz BJRDWCYFZMMESA-HUUCEWRRSA-N 2 1 320.437 0.787 20 30 DCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001571448667 1162763621 /nfs/dbraw/zinc/76/36/21/1162763621.db2.gz ZRJAUMDTVDNXMN-CVEARBPZSA-N 2 1 305.422 0.932 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)C[C@H](C)O)C2)CC1 ZINC001691997533 1157565503 /nfs/dbraw/zinc/56/55/03/1157565503.db2.gz DMYBFVVOALLQFU-HOTGVXAUSA-N 2 1 321.465 0.493 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001571661290 1162882743 /nfs/dbraw/zinc/88/27/43/1162882743.db2.gz JHTOMFUFERQRQN-NRXISQOPSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001672503304 1157957483 /nfs/dbraw/zinc/95/74/83/1157957483.db2.gz JNAZRKFGDBPZKB-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001672503304 1157957487 /nfs/dbraw/zinc/95/74/87/1157957487.db2.gz JNAZRKFGDBPZKB-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001672503304 1157957493 /nfs/dbraw/zinc/95/74/93/1157957493.db2.gz JNAZRKFGDBPZKB-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001671384330 1158272103 /nfs/dbraw/zinc/27/21/03/1158272103.db2.gz KWEDARQUPFBHSW-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691535316 1158317429 /nfs/dbraw/zinc/31/74/29/1158317429.db2.gz FBAUROZNVOMHMH-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691535316 1158317436 /nfs/dbraw/zinc/31/74/36/1158317436.db2.gz FBAUROZNVOMHMH-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691535316 1158317442 /nfs/dbraw/zinc/31/74/42/1158317442.db2.gz FBAUROZNVOMHMH-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001691535930 1158318323 /nfs/dbraw/zinc/31/83/23/1158318323.db2.gz MEXYPJZTMIOLCK-QGZVFWFLSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001691535758 1158318487 /nfs/dbraw/zinc/31/84/87/1158318487.db2.gz KAZFZGMVDHUKPS-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001691535758 1158318482 /nfs/dbraw/zinc/31/84/82/1158318482.db2.gz KAZFZGMVDHUKPS-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001752843272 1158319453 /nfs/dbraw/zinc/31/94/53/1158319453.db2.gz AFSQMDCLQQPYQC-OWYFMNJBSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001752843272 1158319458 /nfs/dbraw/zinc/31/94/58/1158319458.db2.gz AFSQMDCLQQPYQC-OWYFMNJBSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001752843272 1158319462 /nfs/dbraw/zinc/31/94/62/1158319462.db2.gz AFSQMDCLQQPYQC-OWYFMNJBSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001752843272 1158319471 /nfs/dbraw/zinc/31/94/71/1158319471.db2.gz AFSQMDCLQQPYQC-OWYFMNJBSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001752843272 1158319479 /nfs/dbraw/zinc/31/94/79/1158319479.db2.gz AFSQMDCLQQPYQC-OWYFMNJBSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001566654311 1159844629 /nfs/dbraw/zinc/84/46/29/1159844629.db2.gz OPSJHKVBABZFGD-UHFFFAOYSA-N 2 1 305.426 0.501 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001566631131 1160102302 /nfs/dbraw/zinc/10/23/02/1160102302.db2.gz KDQBBWDKDVXHDR-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001566631131 1160102305 /nfs/dbraw/zinc/10/23/05/1160102305.db2.gz KDQBBWDKDVXHDR-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001566631131 1160102308 /nfs/dbraw/zinc/10/23/08/1160102308.db2.gz KDQBBWDKDVXHDR-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001566631131 1160102311 /nfs/dbraw/zinc/10/23/11/1160102311.db2.gz KDQBBWDKDVXHDR-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001566631130 1160103135 /nfs/dbraw/zinc/10/31/35/1160103135.db2.gz KDQBBWDKDVXHDR-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001566631130 1160103137 /nfs/dbraw/zinc/10/31/37/1160103137.db2.gz KDQBBWDKDVXHDR-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001566631130 1160103141 /nfs/dbraw/zinc/10/31/41/1160103141.db2.gz KDQBBWDKDVXHDR-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001566631130 1160103145 /nfs/dbraw/zinc/10/31/45/1160103145.db2.gz KDQBBWDKDVXHDR-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCCC[NH+]1CCN(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001566650448 1160112542 /nfs/dbraw/zinc/11/25/42/1160112542.db2.gz IMNQUOJKEGGLHQ-UHFFFAOYSA-N 2 1 319.453 0.892 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001567352597 1160322316 /nfs/dbraw/zinc/32/23/16/1160322316.db2.gz SJSYIBHRGNZOMN-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001567352597 1160322324 /nfs/dbraw/zinc/32/23/24/1160322324.db2.gz SJSYIBHRGNZOMN-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001567352597 1160322326 /nfs/dbraw/zinc/32/23/26/1160322326.db2.gz SJSYIBHRGNZOMN-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001567352597 1160322332 /nfs/dbraw/zinc/32/23/32/1160322332.db2.gz SJSYIBHRGNZOMN-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567914839 1160532780 /nfs/dbraw/zinc/53/27/80/1160532780.db2.gz YOBZPHPOVVPYEW-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567914839 1160532786 /nfs/dbraw/zinc/53/27/86/1160532786.db2.gz YOBZPHPOVVPYEW-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001568369727 1160637099 /nfs/dbraw/zinc/63/70/99/1160637099.db2.gz VLIUOBKVVACTBI-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001568984533 1160908590 /nfs/dbraw/zinc/90/85/90/1160908590.db2.gz RIPJSSCGJCREEV-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCO)C1CCCC1 ZINC001569603815 1161162991 /nfs/dbraw/zinc/16/29/91/1161162991.db2.gz GCLNGLLPOGIRTM-CVEARBPZSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCO)C1CCCC1 ZINC001569603815 1161162993 /nfs/dbraw/zinc/16/29/93/1161162993.db2.gz GCLNGLLPOGIRTM-CVEARBPZSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001569755971 1161228275 /nfs/dbraw/zinc/22/82/75/1161228275.db2.gz OCIYCZDIMHSUEI-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001569755971 1161228279 /nfs/dbraw/zinc/22/82/79/1161228279.db2.gz OCIYCZDIMHSUEI-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001569755971 1161228282 /nfs/dbraw/zinc/22/82/82/1161228282.db2.gz OCIYCZDIMHSUEI-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569774249 1161241165 /nfs/dbraw/zinc/24/11/65/1161241165.db2.gz GORWGWIYOJDQTC-OAHLLOKOSA-N 2 1 307.438 0.457 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569829340 1161280728 /nfs/dbraw/zinc/28/07/28/1161280728.db2.gz XHNPMTMHMQTMEO-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001570187889 1161485657 /nfs/dbraw/zinc/48/56/57/1161485657.db2.gz RQPJDGUAKUSCAB-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001570187889 1161485662 /nfs/dbraw/zinc/48/56/62/1161485662.db2.gz RQPJDGUAKUSCAB-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001570187889 1161485668 /nfs/dbraw/zinc/48/56/68/1161485668.db2.gz RQPJDGUAKUSCAB-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3C[NH2+]C[C@H]3O)CC2)cc1 ZINC001580066472 1165490851 /nfs/dbraw/zinc/49/08/51/1165490851.db2.gz MFWZHODYVAKSJL-SJLPKXTDSA-N 2 1 314.433 0.693 20 30 DCEDMP N#Cc1ncc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nc1C#N ZINC001580084125 1165494883 /nfs/dbraw/zinc/49/48/83/1165494883.db2.gz DLKKVPIBCZMDDX-OKILXGFUSA-N 2 1 323.404 0.625 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001671251307 1173662750 /nfs/dbraw/zinc/66/27/50/1173662750.db2.gz KCTWGYJTFBKALC-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001671251306 1173663086 /nfs/dbraw/zinc/66/30/86/1173663086.db2.gz KCTWGYJTFBKALC-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001656780739 1173883471 /nfs/dbraw/zinc/88/34/71/1173883471.db2.gz ZEBGPSVWKOXGOZ-INIZCTEOSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001656780739 1173883475 /nfs/dbraw/zinc/88/34/75/1173883475.db2.gz ZEBGPSVWKOXGOZ-INIZCTEOSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001656780739 1173883478 /nfs/dbraw/zinc/88/34/78/1173883478.db2.gz ZEBGPSVWKOXGOZ-INIZCTEOSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001673306740 1174021339 /nfs/dbraw/zinc/02/13/39/1174021339.db2.gz ZPKDLKZGQHTAPA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCN1CC[NH+](CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001660904508 1174066558 /nfs/dbraw/zinc/06/65/58/1174066558.db2.gz KMJFCRCICICNBO-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001660904508 1174066565 /nfs/dbraw/zinc/06/65/65/1174066565.db2.gz KMJFCRCICICNBO-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001660904508 1174066572 /nfs/dbraw/zinc/06/65/72/1174066572.db2.gz KMJFCRCICICNBO-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001664772151 1174457329 /nfs/dbraw/zinc/45/73/29/1174457329.db2.gz ONTYLDLVQCQHOK-HZPDHXFCSA-N 2 1 308.470 0.589 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665553821 1174532318 /nfs/dbraw/zinc/53/23/18/1174532318.db2.gz WVXCAIHIBIYJSD-ZNMIVQPWSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665553821 1174532323 /nfs/dbraw/zinc/53/23/23/1174532323.db2.gz WVXCAIHIBIYJSD-ZNMIVQPWSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001665574238 1174533979 /nfs/dbraw/zinc/53/39/79/1174533979.db2.gz SISLVORJCIVEBS-QLFBSQMISA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001665574238 1174533985 /nfs/dbraw/zinc/53/39/85/1174533985.db2.gz SISLVORJCIVEBS-QLFBSQMISA-N 2 1 322.453 0.304 20 30 DCEDMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001667117689 1174662329 /nfs/dbraw/zinc/66/23/29/1174662329.db2.gz BSTIRQIFPYBLGI-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001667117689 1174662333 /nfs/dbraw/zinc/66/23/33/1174662333.db2.gz BSTIRQIFPYBLGI-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC#CCOC)C1 ZINC001667695534 1174702548 /nfs/dbraw/zinc/70/25/48/1174702548.db2.gz XXXRZUCSBJJEPF-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC#CCOC)C1 ZINC001667695534 1174702552 /nfs/dbraw/zinc/70/25/52/1174702552.db2.gz XXXRZUCSBJJEPF-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC#CCOC)C1 ZINC001667695534 1174702558 /nfs/dbraw/zinc/70/25/58/1174702558.db2.gz XXXRZUCSBJJEPF-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001667836927 1174721954 /nfs/dbraw/zinc/72/19/54/1174721954.db2.gz KSBQWAWMLHQYJV-HOTGVXAUSA-N 2 1 307.438 0.483 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001671570232 1175018667 /nfs/dbraw/zinc/01/86/67/1175018667.db2.gz SGLRXHOIWZRIKX-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001671570232 1175018672 /nfs/dbraw/zinc/01/86/72/1175018672.db2.gz SGLRXHOIWZRIKX-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001673589286 1175216823 /nfs/dbraw/zinc/21/68/23/1175216823.db2.gz YMAZCLFTPVCGJW-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001673589286 1175216827 /nfs/dbraw/zinc/21/68/27/1175216827.db2.gz YMAZCLFTPVCGJW-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCCC)C1 ZINC001673676475 1175222112 /nfs/dbraw/zinc/22/21/12/1175222112.db2.gz SOJUXKFEZRCQFF-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCCC)C1 ZINC001673676475 1175222117 /nfs/dbraw/zinc/22/21/17/1175222117.db2.gz SOJUXKFEZRCQFF-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001674080657 1175251718 /nfs/dbraw/zinc/25/17/18/1175251718.db2.gz YXPBSQXKFMZKKO-OAHLLOKOSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001674324391 1175270581 /nfs/dbraw/zinc/27/05/81/1175270581.db2.gz KXUBQCXAOBFQET-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001676895125 1175500696 /nfs/dbraw/zinc/50/06/96/1175500696.db2.gz WAHWIZKJKYAIKS-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001676895125 1175500703 /nfs/dbraw/zinc/50/07/03/1175500703.db2.gz WAHWIZKJKYAIKS-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP CCC[C@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@H+]1CCOC ZINC001676930534 1175504006 /nfs/dbraw/zinc/50/40/06/1175504006.db2.gz SPFVQHDHABRAEV-INIZCTEOSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001688935843 1176659532 /nfs/dbraw/zinc/65/95/32/1176659532.db2.gz WRJSROSGKYEXID-VGWMRTNUSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001688935843 1176659536 /nfs/dbraw/zinc/65/95/36/1176659536.db2.gz WRJSROSGKYEXID-VGWMRTNUSA-N 2 1 307.438 0.603 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC#CCOC ZINC001689806111 1177062056 /nfs/dbraw/zinc/06/20/56/1177062056.db2.gz YDLBVBGKHWLPSU-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC#CCOC ZINC001689806111 1177062060 /nfs/dbraw/zinc/06/20/60/1177062060.db2.gz YDLBVBGKHWLPSU-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC#CCOC ZINC001689806111 1177062063 /nfs/dbraw/zinc/06/20/63/1177062063.db2.gz YDLBVBGKHWLPSU-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CC#CCOC)CC1 ZINC001690029271 1177145670 /nfs/dbraw/zinc/14/56/70/1177145670.db2.gz ZDXNERDGMWQRAS-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP N#CCN1CC[NH+](CCCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001690068390 1177159845 /nfs/dbraw/zinc/15/98/45/1177159845.db2.gz JTQPPTZLTYFXTJ-UHFFFAOYSA-N 2 1 321.469 0.510 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001690785672 1177324233 /nfs/dbraw/zinc/32/42/33/1177324233.db2.gz XBCMHHNJTQDRPJ-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001690822663 1177334489 /nfs/dbraw/zinc/33/44/89/1177334489.db2.gz KOHYRIKQCUYJJG-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001690822663 1177334497 /nfs/dbraw/zinc/33/44/97/1177334497.db2.gz KOHYRIKQCUYJJG-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001690822663 1177334502 /nfs/dbraw/zinc/33/45/02/1177334502.db2.gz KOHYRIKQCUYJJG-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001690860076 1177338184 /nfs/dbraw/zinc/33/81/84/1177338184.db2.gz RFAXBUWUEHWNOK-PMPSAXMXSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001691827024 1177367561 /nfs/dbraw/zinc/36/75/61/1177367561.db2.gz SASNWWKLUHQJJW-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001691827024 1177367569 /nfs/dbraw/zinc/36/75/69/1177367569.db2.gz SASNWWKLUHQJJW-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001691827024 1177367573 /nfs/dbraw/zinc/36/75/73/1177367573.db2.gz SASNWWKLUHQJJW-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692038917 1177406939 /nfs/dbraw/zinc/40/69/39/1177406939.db2.gz CLZDWPZRGXAUMK-HNNXBMFYSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692038917 1177406944 /nfs/dbraw/zinc/40/69/44/1177406944.db2.gz CLZDWPZRGXAUMK-HNNXBMFYSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001692052239 1177409842 /nfs/dbraw/zinc/40/98/42/1177409842.db2.gz LTQJTKXEJUSBLO-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001692052239 1177409845 /nfs/dbraw/zinc/40/98/45/1177409845.db2.gz LTQJTKXEJUSBLO-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001698829328 1177684806 /nfs/dbraw/zinc/68/48/06/1177684806.db2.gz OWCMUGJVBYZUFG-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699003459 1177761894 /nfs/dbraw/zinc/76/18/94/1177761894.db2.gz XBQYRIPVHUCETJ-MRXNPFEDSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001699590857 1178208802 /nfs/dbraw/zinc/20/88/02/1178208802.db2.gz WWLSHNXODIWGRX-ZBFHGGJFSA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001699759455 1178277340 /nfs/dbraw/zinc/27/73/40/1178277340.db2.gz VWTCUDWMZNXWHA-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001699859719 1178320514 /nfs/dbraw/zinc/32/05/14/1178320514.db2.gz SGHLGCFJLBZVTR-QGZVFWFLSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001699901115 1178354451 /nfs/dbraw/zinc/35/44/51/1178354451.db2.gz LKGXEMNMKUTWHJ-WBVHZDCISA-N 2 1 309.454 0.683 20 30 DCEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCC(NCC#N)CC2)C1 ZINC001699994951 1178412295 /nfs/dbraw/zinc/41/22/95/1178412295.db2.gz JAGAIZRRLLXSHT-AWEZNQCLSA-N 2 1 307.442 0.022 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001700006991 1178426588 /nfs/dbraw/zinc/42/65/88/1178426588.db2.gz IAKHQWLBHWYHSY-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001700006991 1178426592 /nfs/dbraw/zinc/42/65/92/1178426592.db2.gz IAKHQWLBHWYHSY-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001700006991 1178426599 /nfs/dbraw/zinc/42/65/99/1178426599.db2.gz IAKHQWLBHWYHSY-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001700073798 1178470046 /nfs/dbraw/zinc/47/00/46/1178470046.db2.gz ZIIVDVWZHVAXLN-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700203874 1178529779 /nfs/dbraw/zinc/52/97/79/1178529779.db2.gz VDBMLSODSLRKIR-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001700249823 1178553646 /nfs/dbraw/zinc/55/36/46/1178553646.db2.gz XZXJSVQXPBLZCB-UHFFFAOYSA-N 2 1 304.394 0.470 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001700318813 1178580157 /nfs/dbraw/zinc/58/01/57/1178580157.db2.gz WOKFMOBQSAOCPI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001700318813 1178580161 /nfs/dbraw/zinc/58/01/61/1178580161.db2.gz WOKFMOBQSAOCPI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]C[C@H](C)O)C(C)C ZINC001700713307 1178719545 /nfs/dbraw/zinc/71/95/45/1178719545.db2.gz UFIORVCPRRJQNV-XHSDSOJGSA-N 2 1 309.454 0.585 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]C[C@H](C)O)C(C)C ZINC001700713307 1178719550 /nfs/dbraw/zinc/71/95/50/1178719550.db2.gz UFIORVCPRRJQNV-XHSDSOJGSA-N 2 1 309.454 0.585 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001700939711 1178817540 /nfs/dbraw/zinc/81/75/40/1178817540.db2.gz SSORGYHFQFGUAH-CVEARBPZSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707209391 1180435812 /nfs/dbraw/zinc/43/58/12/1180435812.db2.gz RSJHILDQCVDAAA-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001713038989 1180645162 /nfs/dbraw/zinc/64/51/62/1180645162.db2.gz PGIGDWCJQHKEDN-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001713277281 1180746987 /nfs/dbraw/zinc/74/69/87/1180746987.db2.gz GMAVHHPEIZJKEU-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001713277281 1180746994 /nfs/dbraw/zinc/74/69/94/1180746994.db2.gz GMAVHHPEIZJKEU-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001713684920 1181014878 /nfs/dbraw/zinc/01/48/78/1181014878.db2.gz RNQJPFUBLITXPU-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001713684920 1181014886 /nfs/dbraw/zinc/01/48/86/1181014886.db2.gz RNQJPFUBLITXPU-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001714198008 1181278877 /nfs/dbraw/zinc/27/88/77/1181278877.db2.gz CANSFJPUMXPKDW-UHFFFAOYSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[NH2+]CCC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001714287565 1181306994 /nfs/dbraw/zinc/30/69/94/1181306994.db2.gz SJDYIUDQLWKQRN-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001714812832 1181559702 /nfs/dbraw/zinc/55/97/02/1181559702.db2.gz FKCIJDURBFKWKR-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001714870740 1181580011 /nfs/dbraw/zinc/58/00/11/1181580011.db2.gz YFRLUJPZHHOSJS-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001714870740 1181580015 /nfs/dbraw/zinc/58/00/15/1181580015.db2.gz YFRLUJPZHHOSJS-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001714870740 1181580019 /nfs/dbraw/zinc/58/00/19/1181580019.db2.gz YFRLUJPZHHOSJS-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001714870740 1181580022 /nfs/dbraw/zinc/58/00/22/1181580022.db2.gz YFRLUJPZHHOSJS-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001715332299 1181776161 /nfs/dbraw/zinc/77/61/61/1181776161.db2.gz QGTJDHIMOVIBRP-WFASDCNBSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001715332299 1181776164 /nfs/dbraw/zinc/77/61/64/1181776164.db2.gz QGTJDHIMOVIBRP-WFASDCNBSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2cnon2)CC1 ZINC001715377002 1181794777 /nfs/dbraw/zinc/79/47/77/1181794777.db2.gz KQMOCUHMNOHEEG-CYBMUJFWSA-N 2 1 319.409 0.351 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC#CCOC)CC1 ZINC001715540215 1181849826 /nfs/dbraw/zinc/84/98/26/1181849826.db2.gz UMQNVIZILBODSA-UHFFFAOYSA-N 2 1 319.449 0.372 20 30 DCEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001715714980 1181952974 /nfs/dbraw/zinc/95/29/74/1181952974.db2.gz OSHXXPWUOPJISL-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCOCC1 ZINC001715830198 1182035047 /nfs/dbraw/zinc/03/50/47/1182035047.db2.gz XZTGLGPIEWWTAV-IDOMTICXSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCOCC1 ZINC001715830198 1182035054 /nfs/dbraw/zinc/03/50/54/1182035054.db2.gz XZTGLGPIEWWTAV-IDOMTICXSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001715980842 1182129788 /nfs/dbraw/zinc/12/97/88/1182129788.db2.gz IMUCDKUJYXWWKF-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001715980842 1182129792 /nfs/dbraw/zinc/12/97/92/1182129792.db2.gz IMUCDKUJYXWWKF-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001716717744 1182501724 /nfs/dbraw/zinc/50/17/24/1182501724.db2.gz TWTRAGQZTWFMSU-UHFFFAOYSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001716943327 1182597271 /nfs/dbraw/zinc/59/72/71/1182597271.db2.gz JWBJVMFDWNOSOP-OAHLLOKOSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001716943327 1182597274 /nfs/dbraw/zinc/59/72/74/1182597274.db2.gz JWBJVMFDWNOSOP-OAHLLOKOSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001717062296 1182658944 /nfs/dbraw/zinc/65/89/44/1182658944.db2.gz OQDZADQOEAATJC-JKSUJKDBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001717829677 1183021047 /nfs/dbraw/zinc/02/10/47/1183021047.db2.gz IWFSWNJOACPDPO-GXTWGEPZSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001717839917 1183026807 /nfs/dbraw/zinc/02/68/07/1183026807.db2.gz DRFLFEITYDCCHY-SJLPKXTDSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCC ZINC001717939797 1183077838 /nfs/dbraw/zinc/07/78/38/1183077838.db2.gz ODYXLKPDBIMWBL-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCC ZINC001717939797 1183077844 /nfs/dbraw/zinc/07/78/44/1183077844.db2.gz ODYXLKPDBIMWBL-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCCC ZINC001717939797 1183077850 /nfs/dbraw/zinc/07/78/50/1183077850.db2.gz ODYXLKPDBIMWBL-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCCC ZINC001717939797 1183077857 /nfs/dbraw/zinc/07/78/57/1183077857.db2.gz ODYXLKPDBIMWBL-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001721944209 1184119720 /nfs/dbraw/zinc/11/97/20/1184119720.db2.gz XYVCBRZXYBGTHX-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001721944209 1184119723 /nfs/dbraw/zinc/11/97/23/1184119723.db2.gz XYVCBRZXYBGTHX-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001721944209 1184119727 /nfs/dbraw/zinc/11/97/27/1184119727.db2.gz XYVCBRZXYBGTHX-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001721944209 1184119729 /nfs/dbraw/zinc/11/97/29/1184119729.db2.gz XYVCBRZXYBGTHX-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001723653376 1184333218 /nfs/dbraw/zinc/33/32/18/1184333218.db2.gz IZAGKBPAMLVNEU-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001723653376 1184333222 /nfs/dbraw/zinc/33/32/22/1184333222.db2.gz IZAGKBPAMLVNEU-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001723653376 1184333227 /nfs/dbraw/zinc/33/32/27/1184333227.db2.gz IZAGKBPAMLVNEU-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001724223185 1184402693 /nfs/dbraw/zinc/40/26/93/1184402693.db2.gz ORUDNEVFNPIIQZ-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001724334737 1184411344 /nfs/dbraw/zinc/41/13/44/1184411344.db2.gz VSAFLPPHVXOUIW-KRWDZBQOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001724973626 1184639584 /nfs/dbraw/zinc/63/95/84/1184639584.db2.gz ATLUXFHGRFDHFV-UHFFFAOYSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001725329277 1184772167 /nfs/dbraw/zinc/77/21/67/1184772167.db2.gz IVZNEJXULIUOHQ-DOMZBBRYSA-N 2 1 322.409 0.741 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1=CCCCC1 ZINC001725533489 1184865713 /nfs/dbraw/zinc/86/57/13/1184865713.db2.gz QRHARGSWQVTEJG-SJORKVTESA-N 2 1 319.449 0.651 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1=CCCCC1 ZINC001725533489 1184865717 /nfs/dbraw/zinc/86/57/17/1184865717.db2.gz QRHARGSWQVTEJG-SJORKVTESA-N 2 1 319.449 0.651 20 30 DCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001725537255 1184869261 /nfs/dbraw/zinc/86/92/61/1184869261.db2.gz ASZPHWLVMVZONX-DOMZBBRYSA-N 2 1 301.406 0.452 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@@H](C)COC)CC1 ZINC001731286307 1185244984 /nfs/dbraw/zinc/24/49/84/1185244984.db2.gz JTZXAKTYXZEHIZ-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001731944489 1185597793 /nfs/dbraw/zinc/59/77/93/1185597793.db2.gz QVABFHJULKYOBI-ZNMIVQPWSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@@H](C)COC)CC1 ZINC001733065856 1186125596 /nfs/dbraw/zinc/12/55/96/1186125596.db2.gz JWDSRPWQCUZCHF-CABCVRRESA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001733172579 1186168916 /nfs/dbraw/zinc/16/89/16/1186168916.db2.gz HCVUWKZMUMIJTI-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001733473053 1186281452 /nfs/dbraw/zinc/28/14/52/1186281452.db2.gz NCPJVJTXOXCYLI-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001733502997 1186311532 /nfs/dbraw/zinc/31/15/32/1186311532.db2.gz ACFPJTHHMSWPIA-OAHLLOKOSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001733502997 1186311539 /nfs/dbraw/zinc/31/15/39/1186311539.db2.gz ACFPJTHHMSWPIA-OAHLLOKOSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001733510820 1186317906 /nfs/dbraw/zinc/31/79/06/1186317906.db2.gz BONXBPHNHWZWBQ-GJZGRUSLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001733510819 1186318357 /nfs/dbraw/zinc/31/83/57/1186318357.db2.gz BONXBPHNHWZWBQ-GASCZTMLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001733510819 1186318358 /nfs/dbraw/zinc/31/83/58/1186318358.db2.gz BONXBPHNHWZWBQ-GASCZTMLSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001752354740 1188415952 /nfs/dbraw/zinc/41/59/52/1188415952.db2.gz DAQASXFRVOYODK-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001752354740 1188415955 /nfs/dbraw/zinc/41/59/55/1188415955.db2.gz DAQASXFRVOYODK-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001752354740 1188415957 /nfs/dbraw/zinc/41/59/57/1188415957.db2.gz DAQASXFRVOYODK-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C[C@H]1CCOC1 ZINC001753083653 1188494573 /nfs/dbraw/zinc/49/45/73/1188494573.db2.gz MNYDJBAKRLQLDB-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C[C@H]1CCOC1 ZINC001753083653 1188494576 /nfs/dbraw/zinc/49/45/76/1188494576.db2.gz MNYDJBAKRLQLDB-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@H]1CCOC1 ZINC001753083653 1188494579 /nfs/dbraw/zinc/49/45/79/1188494579.db2.gz MNYDJBAKRLQLDB-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@H]1CCOC1 ZINC001753083653 1188494582 /nfs/dbraw/zinc/49/45/82/1188494582.db2.gz MNYDJBAKRLQLDB-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001753527725 1188614657 /nfs/dbraw/zinc/61/46/57/1188614657.db2.gz PUGLTHOVNDODRX-YJBOKZPZSA-N 2 1 321.465 0.853 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753709425 1188644565 /nfs/dbraw/zinc/64/45/65/1188644565.db2.gz YHAVMRCXNKHDIB-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC#CCOC)CC2 ZINC001754962658 1188980802 /nfs/dbraw/zinc/98/08/02/1188980802.db2.gz KERDVEQCMBDRJJ-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001755019435 1188998824 /nfs/dbraw/zinc/99/88/24/1188998824.db2.gz LMPZGOMBLMUEDE-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001755441946 1189113915 /nfs/dbraw/zinc/11/39/15/1189113915.db2.gz LVLLAMXSDWKLBN-GDBMZVCRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001755746443 1189200313 /nfs/dbraw/zinc/20/03/13/1189200313.db2.gz NFWDPNIJSYECLN-DLBZAZTESA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001083233251 747333340 /nfs/dbraw/zinc/33/33/40/747333340.db2.gz QGGJJYPTKYXJDL-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001083233251 747333345 /nfs/dbraw/zinc/33/33/45/747333345.db2.gz QGGJJYPTKYXJDL-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161552698 748431256 /nfs/dbraw/zinc/43/12/56/748431256.db2.gz SLEWTMOUCUAJHU-UHFFFAOYSA-N 2 1 308.382 0.096 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1CC ZINC001087608019 748995893 /nfs/dbraw/zinc/99/58/93/748995893.db2.gz KZRUDBGKYBRARW-XHSDSOJGSA-N 2 1 307.438 0.436 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524369 750095922 /nfs/dbraw/zinc/09/59/22/750095922.db2.gz RJFQEXVCCAWNFG-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524369 750095929 /nfs/dbraw/zinc/09/59/29/750095929.db2.gz RJFQEXVCCAWNFG-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524369 750095937 /nfs/dbraw/zinc/09/59/37/750095937.db2.gz RJFQEXVCCAWNFG-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077392925 750389989 /nfs/dbraw/zinc/38/99/89/750389989.db2.gz XRQJSVYTNWLCEV-HUUCEWRRSA-N 2 1 300.362 0.685 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077392925 750389994 /nfs/dbraw/zinc/38/99/94/750389994.db2.gz XRQJSVYTNWLCEV-HUUCEWRRSA-N 2 1 300.362 0.685 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462477 762049382 /nfs/dbraw/zinc/04/93/82/762049382.db2.gz WNYZZCABIRUNEQ-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC#CCOC)C2 ZINC001122106437 750996930 /nfs/dbraw/zinc/99/69/30/750996930.db2.gz GDVPKCOAQWMRNT-UHFFFAOYSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089350269 751273450 /nfs/dbraw/zinc/27/34/50/751273450.db2.gz GNKPNIKSQSAELN-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089350269 751273453 /nfs/dbraw/zinc/27/34/53/751273453.db2.gz GNKPNIKSQSAELN-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350269 751273456 /nfs/dbraw/zinc/27/34/56/751273456.db2.gz GNKPNIKSQSAELN-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350269 751273459 /nfs/dbraw/zinc/27/34/59/751273459.db2.gz GNKPNIKSQSAELN-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874645 751336407 /nfs/dbraw/zinc/33/64/07/751336407.db2.gz OFPSHDRBABCKFM-IXDOHACOSA-N 2 1 321.465 0.662 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992822 752832398 /nfs/dbraw/zinc/83/23/98/752832398.db2.gz DYUGKGDLMAHLSK-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992822 752832407 /nfs/dbraw/zinc/83/24/07/752832407.db2.gz DYUGKGDLMAHLSK-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CC(C)C)CCO1 ZINC001108004555 752899999 /nfs/dbraw/zinc/89/99/99/752899999.db2.gz XDSASCJSXAAZKX-WMZOPIPTSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046040445 753442919 /nfs/dbraw/zinc/44/29/19/753442919.db2.gz ITUPHKKLMJBADC-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046077727 753469269 /nfs/dbraw/zinc/46/92/69/753469269.db2.gz YDADATYTVRNNMY-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077727 753469274 /nfs/dbraw/zinc/46/92/74/753469274.db2.gz YDADATYTVRNNMY-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077727 753469276 /nfs/dbraw/zinc/46/92/76/753469276.db2.gz YDADATYTVRNNMY-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046082238 753471925 /nfs/dbraw/zinc/47/19/25/753471925.db2.gz PFCVDFLBFLTUCF-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082238 753471928 /nfs/dbraw/zinc/47/19/28/753471928.db2.gz PFCVDFLBFLTUCF-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082238 753471930 /nfs/dbraw/zinc/47/19/30/753471930.db2.gz PFCVDFLBFLTUCF-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[NH+]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001113360890 762263958 /nfs/dbraw/zinc/26/39/58/762263958.db2.gz IUPFPSHMZPUFNP-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407523 754254785 /nfs/dbraw/zinc/25/47/85/754254785.db2.gz JAKVFHDHKWQWCD-JYJNAYRXSA-N 2 1 307.438 0.101 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001047407523 754254773 /nfs/dbraw/zinc/25/47/73/754254773.db2.gz JAKVFHDHKWQWCD-JYJNAYRXSA-N 2 1 307.438 0.101 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407523 754254776 /nfs/dbraw/zinc/25/47/76/754254776.db2.gz JAKVFHDHKWQWCD-JYJNAYRXSA-N 2 1 307.438 0.101 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407523 754254782 /nfs/dbraw/zinc/25/47/82/754254782.db2.gz JAKVFHDHKWQWCD-JYJNAYRXSA-N 2 1 307.438 0.101 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047441941 754286555 /nfs/dbraw/zinc/28/65/55/754286555.db2.gz QDEWFKAJLDQWOK-GJZGRUSLSA-N 2 1 307.438 0.694 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047441941 754286559 /nfs/dbraw/zinc/28/65/59/754286559.db2.gz QDEWFKAJLDQWOK-GJZGRUSLSA-N 2 1 307.438 0.694 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498364 754333208 /nfs/dbraw/zinc/33/32/08/754333208.db2.gz RYDMMLYKMNBLBJ-ULQDDVLXSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498364 754333211 /nfs/dbraw/zinc/33/32/11/754333211.db2.gz RYDMMLYKMNBLBJ-ULQDDVLXSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498364 754333217 /nfs/dbraw/zinc/33/32/17/754333217.db2.gz RYDMMLYKMNBLBJ-ULQDDVLXSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205046 754557873 /nfs/dbraw/zinc/55/78/73/754557873.db2.gz OVYDGXVCUZFPQO-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833485 754967550 /nfs/dbraw/zinc/96/75/50/754967550.db2.gz PLGBNDIALVFHFD-VVLHAWIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833485 754967555 /nfs/dbraw/zinc/96/75/55/754967555.db2.gz PLGBNDIALVFHFD-VVLHAWIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833485 754967558 /nfs/dbraw/zinc/96/75/58/754967558.db2.gz PLGBNDIALVFHFD-VVLHAWIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222922 755190869 /nfs/dbraw/zinc/19/08/69/755190869.db2.gz ZJRWCITYVBXXIT-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222922 755190870 /nfs/dbraw/zinc/19/08/70/755190870.db2.gz ZJRWCITYVBXXIT-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222922 755190871 /nfs/dbraw/zinc/19/08/71/755190871.db2.gz ZJRWCITYVBXXIT-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222922 755190872 /nfs/dbraw/zinc/19/08/72/755190872.db2.gz ZJRWCITYVBXXIT-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001049672757 755356482 /nfs/dbraw/zinc/35/64/82/755356482.db2.gz NTQSRETXJZNPOP-BRWVUGGUSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001049672757 755356483 /nfs/dbraw/zinc/35/64/83/755356483.db2.gz NTQSRETXJZNPOP-BRWVUGGUSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049672757 755356486 /nfs/dbraw/zinc/35/64/86/755356486.db2.gz NTQSRETXJZNPOP-BRWVUGGUSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049672757 755356489 /nfs/dbraw/zinc/35/64/89/755356489.db2.gz NTQSRETXJZNPOP-BRWVUGGUSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791106 755401174 /nfs/dbraw/zinc/40/11/74/755401174.db2.gz PWGSBUMWNHGKLG-HOTGVXAUSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791106 755401176 /nfs/dbraw/zinc/40/11/76/755401176.db2.gz PWGSBUMWNHGKLG-HOTGVXAUSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828244 755415492 /nfs/dbraw/zinc/41/54/92/755415492.db2.gz OAEDPPFEBSHFHN-DLBZAZTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCO)CC1 ZINC001049921509 755447935 /nfs/dbraw/zinc/44/79/35/755447935.db2.gz WSMTXAJMSZIFJO-IRXDYDNUSA-N 2 1 319.449 0.389 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097093590 755595122 /nfs/dbraw/zinc/59/51/22/755595122.db2.gz OOPMMYUFADISPN-BMFZPTHFSA-N 2 1 317.437 0.966 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090356318 755667713 /nfs/dbraw/zinc/66/77/13/755667713.db2.gz VVOYMNYXKPVCGI-CABCVRRESA-N 2 1 307.438 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCOC)CC2)CC1 ZINC001052953880 755883737 /nfs/dbraw/zinc/88/37/37/755883737.db2.gz JHPXXHVFZJLHJG-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001054910614 756673088 /nfs/dbraw/zinc/67/30/88/756673088.db2.gz DEQGGIRCBRSHDO-HIFRSBDPSA-N 2 1 300.406 0.832 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](O)C1 ZINC001090383008 757276966 /nfs/dbraw/zinc/27/69/66/757276966.db2.gz WBQUMEBGAYDQMS-HZPDHXFCSA-N 2 1 312.373 0.441 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](O)C1 ZINC001090383008 757276970 /nfs/dbraw/zinc/27/69/70/757276970.db2.gz WBQUMEBGAYDQMS-HZPDHXFCSA-N 2 1 312.373 0.441 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075307 757335592 /nfs/dbraw/zinc/33/55/92/757335592.db2.gz BCWYUZDWGOSYEX-YYIAUSFCSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075307 757335601 /nfs/dbraw/zinc/33/56/01/757335601.db2.gz BCWYUZDWGOSYEX-YYIAUSFCSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075307 757335609 /nfs/dbraw/zinc/33/56/09/757335609.db2.gz BCWYUZDWGOSYEX-YYIAUSFCSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075307 757335619 /nfs/dbraw/zinc/33/56/19/757335619.db2.gz BCWYUZDWGOSYEX-YYIAUSFCSA-N 2 1 319.449 0.652 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083086020 757485274 /nfs/dbraw/zinc/48/52/74/757485274.db2.gz ZLLVMAQEYQGREB-LVQVYYBASA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083086020 757485280 /nfs/dbraw/zinc/48/52/80/757485280.db2.gz ZLLVMAQEYQGREB-LVQVYYBASA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083086020 757485284 /nfs/dbraw/zinc/48/52/84/757485284.db2.gz ZLLVMAQEYQGREB-LVQVYYBASA-N 2 1 307.438 0.814 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001050700199 757983358 /nfs/dbraw/zinc/98/33/58/757983358.db2.gz BWKFONDXDOAQSG-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2CC(C)C)CC1 ZINC001051254803 758549484 /nfs/dbraw/zinc/54/94/84/758549484.db2.gz MARKHZKJVJDJPA-KRWDZBQOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CC(C)C)CC1 ZINC001051254803 758549486 /nfs/dbraw/zinc/54/94/86/758549486.db2.gz MARKHZKJVJDJPA-KRWDZBQOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001098385744 759007480 /nfs/dbraw/zinc/00/74/80/759007480.db2.gz FSCVRFYPLWDOTH-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001098385744 759007490 /nfs/dbraw/zinc/00/74/90/759007490.db2.gz FSCVRFYPLWDOTH-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001098385744 759007496 /nfs/dbraw/zinc/00/74/96/759007496.db2.gz FSCVRFYPLWDOTH-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052040698 759134214 /nfs/dbraw/zinc/13/42/14/759134214.db2.gz FMVGJRZZXIOUNX-IRXDYDNUSA-N 2 1 322.497 0.977 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001108214114 759392647 /nfs/dbraw/zinc/39/26/47/759392647.db2.gz ZGUAUIIUFJGVHL-RDJZCZTQSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108214114 759392656 /nfs/dbraw/zinc/39/26/56/759392656.db2.gz ZGUAUIIUFJGVHL-RDJZCZTQSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108214114 759392665 /nfs/dbraw/zinc/39/26/65/759392665.db2.gz ZGUAUIIUFJGVHL-RDJZCZTQSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108214114 759392680 /nfs/dbraw/zinc/39/26/80/759392680.db2.gz ZGUAUIIUFJGVHL-RDJZCZTQSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)COC)CC1 ZINC001085986630 759546919 /nfs/dbraw/zinc/54/69/19/759546919.db2.gz JCGCBQNUVYVBSX-WBVHZDCISA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@@H](C)OC)CC1 ZINC001085987044 759547266 /nfs/dbraw/zinc/54/72/66/759547266.db2.gz RXSSVKNQIOVKQH-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCOC)CC1 ZINC001085984382 759549215 /nfs/dbraw/zinc/54/92/15/759549215.db2.gz BJOJKWQUHMJZJQ-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086276550 759942662 /nfs/dbraw/zinc/94/26/62/759942662.db2.gz VKWMMBOLBFLJGJ-MJBXVCDLSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086276550 759942670 /nfs/dbraw/zinc/94/26/70/759942670.db2.gz VKWMMBOLBFLJGJ-MJBXVCDLSA-N 2 1 315.845 0.944 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148161639 767928381 /nfs/dbraw/zinc/92/83/81/767928381.db2.gz YXIAVYSOGSESBB-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148161639 767928384 /nfs/dbraw/zinc/92/83/84/767928384.db2.gz YXIAVYSOGSESBB-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344023 760418279 /nfs/dbraw/zinc/41/82/79/760418279.db2.gz GLCBVLXGDJTXTC-INIZCTEOSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CCCN1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108398273 760458153 /nfs/dbraw/zinc/45/81/53/760458153.db2.gz DNEZXVWHQULEQQ-MRXNPFEDSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2=O)C1 ZINC001108553374 760849312 /nfs/dbraw/zinc/84/93/12/760849312.db2.gz LMFYZOLQHVUYEG-UKRRQHHQSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001070234772 761150036 /nfs/dbraw/zinc/15/00/36/761150036.db2.gz HBWWIJKLUYQABV-KGLIPLIRSA-N 2 1 315.381 0.011 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649850 761491745 /nfs/dbraw/zinc/49/17/45/761491745.db2.gz HKCFAMQKOSHDFX-PMPSAXMXSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649850 761491752 /nfs/dbraw/zinc/49/17/52/761491752.db2.gz HKCFAMQKOSHDFX-PMPSAXMXSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109926288 761608342 /nfs/dbraw/zinc/60/83/42/761608342.db2.gz BRKGFRGKFZTQFQ-ILXRZTDVSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109926288 761608346 /nfs/dbraw/zinc/60/83/46/761608346.db2.gz BRKGFRGKFZTQFQ-ILXRZTDVSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109926288 761608351 /nfs/dbraw/zinc/60/83/51/761608351.db2.gz BRKGFRGKFZTQFQ-ILXRZTDVSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109926288 761608355 /nfs/dbraw/zinc/60/83/55/761608355.db2.gz BRKGFRGKFZTQFQ-ILXRZTDVSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109926288 761608359 /nfs/dbraw/zinc/60/83/59/761608359.db2.gz BRKGFRGKFZTQFQ-ILXRZTDVSA-N 2 1 322.453 0.352 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001109932734 761610190 /nfs/dbraw/zinc/61/01/90/761610190.db2.gz QEDJEJRWNQVYTD-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001109932734 761610192 /nfs/dbraw/zinc/61/01/92/761610192.db2.gz QEDJEJRWNQVYTD-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001109932734 761610195 /nfs/dbraw/zinc/61/01/95/761610195.db2.gz QEDJEJRWNQVYTD-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001109932734 761610197 /nfs/dbraw/zinc/61/01/97/761610197.db2.gz QEDJEJRWNQVYTD-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)CCC ZINC001129790615 763004845 /nfs/dbraw/zinc/00/48/45/763004845.db2.gz DQIXWRFCFQTCRV-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)CCC ZINC001129790615 763004849 /nfs/dbraw/zinc/00/48/49/763004849.db2.gz DQIXWRFCFQTCRV-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CC(OCC)C1 ZINC001129771297 763008580 /nfs/dbraw/zinc/00/85/80/763008580.db2.gz UWDCTHBIKZMFOP-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CC(OCC)C1 ZINC001129771297 763008587 /nfs/dbraw/zinc/00/85/87/763008587.db2.gz UWDCTHBIKZMFOP-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871433 763090723 /nfs/dbraw/zinc/09/07/23/763090723.db2.gz DBHNFRUWGIOFNY-GJZGRUSLSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930559 763136289 /nfs/dbraw/zinc/13/62/89/763136289.db2.gz IILIRRIHJIGDHA-DLBZAZTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930559 763136304 /nfs/dbraw/zinc/13/63/04/763136304.db2.gz IILIRRIHJIGDHA-DLBZAZTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930559 763136309 /nfs/dbraw/zinc/13/63/09/763136309.db2.gz IILIRRIHJIGDHA-DLBZAZTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930559 763136315 /nfs/dbraw/zinc/13/63/15/763136315.db2.gz IILIRRIHJIGDHA-DLBZAZTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130423021 763296240 /nfs/dbraw/zinc/29/62/40/763296240.db2.gz HBXOSJCIBMFMDG-ZFWWWQNUSA-N 2 1 317.437 0.789 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C(C)C)[C@H](OCC)C1 ZINC001087060115 768125018 /nfs/dbraw/zinc/12/50/18/768125018.db2.gz OEWYIYHHWRWJJB-IXDOHACOSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C(C)C)[C@H](OCC)C1 ZINC001087060115 768125023 /nfs/dbraw/zinc/12/50/23/768125023.db2.gz OEWYIYHHWRWJJB-IXDOHACOSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141109 763347257 /nfs/dbraw/zinc/34/72/57/763347257.db2.gz LWCUBYODHKXGNZ-IAGOWNOFSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090489518 763420093 /nfs/dbraw/zinc/42/00/93/763420093.db2.gz NFSFSAIMPDUQRP-GJZGRUSLSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100401709 763551426 /nfs/dbraw/zinc/55/14/26/763551426.db2.gz IKGNZZPMMHKELB-GPANFISMSA-N 2 1 317.437 0.321 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCOC)C1 ZINC001100415500 763564696 /nfs/dbraw/zinc/56/46/96/763564696.db2.gz UDXSTZFHJKQCLI-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCOC)C1 ZINC001100415500 763564701 /nfs/dbraw/zinc/56/47/01/763564701.db2.gz UDXSTZFHJKQCLI-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381090 763781900 /nfs/dbraw/zinc/78/19/00/763781900.db2.gz HRCBJCTYBIWQLH-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC#CCOC)C[C@@]2(C)C1 ZINC001101418331 764088681 /nfs/dbraw/zinc/08/86/81/764088681.db2.gz MFCJNLVPKGIYPV-AEFFLSMTSA-N 2 1 321.465 0.758 20 30 DCEDMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC#CCOC)C[C@@]2(C)C1 ZINC001101418331 764088690 /nfs/dbraw/zinc/08/86/90/764088690.db2.gz MFCJNLVPKGIYPV-AEFFLSMTSA-N 2 1 321.465 0.758 20 30 DCEDMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC#CCOC)C[C@@]2(C)C1 ZINC001101418331 764088697 /nfs/dbraw/zinc/08/86/97/764088697.db2.gz MFCJNLVPKGIYPV-AEFFLSMTSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132266727 764345848 /nfs/dbraw/zinc/34/58/48/764345848.db2.gz ZEEULSRPLRGRMC-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132266727 764345853 /nfs/dbraw/zinc/34/58/53/764345853.db2.gz ZEEULSRPLRGRMC-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133165360 764855417 /nfs/dbraw/zinc/85/54/17/764855417.db2.gz FRXNDALDWAZDMH-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001103365234 765036104 /nfs/dbraw/zinc/03/61/04/765036104.db2.gz VBSMMWWWPZKWNS-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365234 765036112 /nfs/dbraw/zinc/03/61/12/765036112.db2.gz VBSMMWWWPZKWNS-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365234 765036121 /nfs/dbraw/zinc/03/61/21/765036121.db2.gz VBSMMWWWPZKWNS-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092291429 768264598 /nfs/dbraw/zinc/26/45/98/768264598.db2.gz AIJKSIHWSPJWJY-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092291429 768264602 /nfs/dbraw/zinc/26/46/02/768264602.db2.gz AIJKSIHWSPJWJY-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092291429 768264606 /nfs/dbraw/zinc/26/46/06/768264606.db2.gz AIJKSIHWSPJWJY-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092291429 768264608 /nfs/dbraw/zinc/26/46/08/768264608.db2.gz AIJKSIHWSPJWJY-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133853821 765172229 /nfs/dbraw/zinc/17/22/29/765172229.db2.gz QCGIMHKOSXMFET-JTQLQIEISA-N 2 1 304.232 0.943 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111986726 765446197 /nfs/dbraw/zinc/44/61/97/765446197.db2.gz WPUNJONTJAAGSC-BQFCYCMXSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111986726 765446201 /nfs/dbraw/zinc/44/62/01/765446201.db2.gz WPUNJONTJAAGSC-BQFCYCMXSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114974200 765542520 /nfs/dbraw/zinc/54/25/20/765542520.db2.gz ADVQXGFHCFQPRN-QLPKVWCKSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114974200 765542524 /nfs/dbraw/zinc/54/25/24/765542524.db2.gz ADVQXGFHCFQPRN-QLPKVWCKSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134606775 765599534 /nfs/dbraw/zinc/59/95/34/765599534.db2.gz ASJDFUIUDTWMJH-UONOGXRCSA-N 2 1 324.469 0.646 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572640 766326666 /nfs/dbraw/zinc/32/66/66/766326666.db2.gz HIZXXIRDAUKOHS-CABCVRRESA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572640 766326667 /nfs/dbraw/zinc/32/66/67/766326667.db2.gz HIZXXIRDAUKOHS-CABCVRRESA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572640 766326673 /nfs/dbraw/zinc/32/66/73/766326673.db2.gz HIZXXIRDAUKOHS-CABCVRRESA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2O)CC1 ZINC001090830800 766648654 /nfs/dbraw/zinc/64/86/54/766648654.db2.gz OWHQSIZRQLAZSQ-CVEARBPZSA-N 2 1 307.438 0.291 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001090969682 766784899 /nfs/dbraw/zinc/78/48/99/766784899.db2.gz APPOXDJKUZYMKZ-BPCQOVAHSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001090969682 766784903 /nfs/dbraw/zinc/78/49/03/766784903.db2.gz APPOXDJKUZYMKZ-BPCQOVAHSA-N 2 1 301.818 0.554 20 30 DCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001091069242 766885298 /nfs/dbraw/zinc/88/52/98/766885298.db2.gz SBUPAVHWXYKVFC-VMBOVVBDSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001120537286 767068175 /nfs/dbraw/zinc/06/81/75/767068175.db2.gz XLVSFBSPPOVJRR-HNNXBMFYSA-N 2 1 322.453 0.399 20 30 DCEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001120591026 767088072 /nfs/dbraw/zinc/08/80/72/767088072.db2.gz TUJOISPQMKATCD-MRXNPFEDSA-N 2 1 302.378 0.543 20 30 DCEDMP C[N@H+]1CC[C@@](O)(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001120591026 767088083 /nfs/dbraw/zinc/08/80/83/767088083.db2.gz TUJOISPQMKATCD-MRXNPFEDSA-N 2 1 302.378 0.543 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001122219885 767743396 /nfs/dbraw/zinc/74/33/96/767743396.db2.gz MNMOOUXDLFRVGB-LMBQMVEXSA-N 2 1 319.449 0.747 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001122219885 767743398 /nfs/dbraw/zinc/74/33/98/767743398.db2.gz MNMOOUXDLFRVGB-LMBQMVEXSA-N 2 1 319.449 0.747 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040983 768441276 /nfs/dbraw/zinc/44/12/76/768441276.db2.gz ZCNQPELUMHEFRJ-HUUCEWRRSA-N 2 1 319.453 0.928 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149841698 768879332 /nfs/dbraw/zinc/87/93/32/768879332.db2.gz IWNGVIROXUHRDS-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021643 768926838 /nfs/dbraw/zinc/92/68/38/768926838.db2.gz KVZHVZQRNUAUAK-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021643 768926844 /nfs/dbraw/zinc/92/68/44/768926844.db2.gz KVZHVZQRNUAUAK-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384597 769041244 /nfs/dbraw/zinc/04/12/44/769041244.db2.gz AKYRMKLXZYNIPM-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384597 769041252 /nfs/dbraw/zinc/04/12/52/769041252.db2.gz AKYRMKLXZYNIPM-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384597 769041263 /nfs/dbraw/zinc/04/12/63/769041263.db2.gz AKYRMKLXZYNIPM-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384597 769041274 /nfs/dbraw/zinc/04/12/74/769041274.db2.gz AKYRMKLXZYNIPM-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606319 769137896 /nfs/dbraw/zinc/13/78/96/769137896.db2.gz FJCKPXDAKOASMH-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152457946 769566839 /nfs/dbraw/zinc/56/68/39/769566839.db2.gz JFDHQQFNQXWYGM-ZIAGYGMSSA-N 2 1 310.442 0.257 20 30 DCEDMP CN(C)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(F)c1C#N ZINC001234993865 769739395 /nfs/dbraw/zinc/73/93/95/769739395.db2.gz WKFHYDYNQIAVDR-KRWDZBQOSA-N 2 1 317.412 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)OC ZINC001153864344 769973701 /nfs/dbraw/zinc/97/37/01/769973701.db2.gz QPZYGQJSVDFJKP-PMPSAXMXSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)OC ZINC001153864344 769973708 /nfs/dbraw/zinc/97/37/08/769973708.db2.gz QPZYGQJSVDFJKP-PMPSAXMXSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](C)OC ZINC001153864344 769973714 /nfs/dbraw/zinc/97/37/14/769973714.db2.gz QPZYGQJSVDFJKP-PMPSAXMXSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](C)OC ZINC001153864344 769973724 /nfs/dbraw/zinc/97/37/24/769973724.db2.gz QPZYGQJSVDFJKP-PMPSAXMXSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033508 770050876 /nfs/dbraw/zinc/05/08/76/770050876.db2.gz BHIHTVRFEZPSRO-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033508 770050889 /nfs/dbraw/zinc/05/08/89/770050889.db2.gz BHIHTVRFEZPSRO-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033508 770050902 /nfs/dbraw/zinc/05/09/02/770050902.db2.gz BHIHTVRFEZPSRO-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033508 770050912 /nfs/dbraw/zinc/05/09/12/770050912.db2.gz BHIHTVRFEZPSRO-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nnc(C)o2)CC1 ZINC001176926144 770225041 /nfs/dbraw/zinc/22/50/41/770225041.db2.gz HJMVPHXNTKRIES-UHFFFAOYSA-N 2 1 319.409 0.319 20 30 DCEDMP C#CCCN1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177124357 770327656 /nfs/dbraw/zinc/32/76/56/770327656.db2.gz JNUIYFAVOMAMRP-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156057696 770706185 /nfs/dbraw/zinc/70/61/85/770706185.db2.gz BASKZNIKNDTXSL-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001156525683 770845751 /nfs/dbraw/zinc/84/57/51/770845751.db2.gz UHKQKCFQLMIACZ-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCC ZINC001156525683 770845762 /nfs/dbraw/zinc/84/57/62/770845762.db2.gz UHKQKCFQLMIACZ-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001156525683 770845773 /nfs/dbraw/zinc/84/57/73/770845773.db2.gz UHKQKCFQLMIACZ-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001156525683 770845785 /nfs/dbraw/zinc/84/57/85/770845785.db2.gz UHKQKCFQLMIACZ-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009057 771217675 /nfs/dbraw/zinc/21/76/75/771217675.db2.gz PJLIOWGKOCTRJM-HLLBOEOZSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009057 771217677 /nfs/dbraw/zinc/21/76/77/771217677.db2.gz PJLIOWGKOCTRJM-HLLBOEOZSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001151020656 771255912 /nfs/dbraw/zinc/25/59/12/771255912.db2.gz DDURSWYXVKCDEQ-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183738278 771695665 /nfs/dbraw/zinc/69/56/65/771695665.db2.gz LYCYPHBOEZYTSU-UONOGXRCSA-N 2 1 324.469 0.598 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001185090453 771859535 /nfs/dbraw/zinc/85/95/35/771859535.db2.gz MBPKRCGSYVKSDA-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159846680 771967989 /nfs/dbraw/zinc/96/79/89/771967989.db2.gz QBENEQZGEUPXPO-HNNXBMFYSA-N 2 1 324.469 0.362 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCn1cccn1 ZINC001160209568 772009701 /nfs/dbraw/zinc/00/97/01/772009701.db2.gz QWELOZXQPJUAET-HNNXBMFYSA-N 2 1 303.410 0.077 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCn1cccn1 ZINC001160209568 772009706 /nfs/dbraw/zinc/00/97/06/772009706.db2.gz QWELOZXQPJUAET-HNNXBMFYSA-N 2 1 303.410 0.077 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](CCCC)C(N)=O ZINC001160209636 772009772 /nfs/dbraw/zinc/00/97/72/772009772.db2.gz SZCOMYVTOIFWCI-GJZGRUSLSA-N 2 1 322.453 0.224 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](CCCC)C(N)=O ZINC001160209636 772009775 /nfs/dbraw/zinc/00/97/75/772009775.db2.gz SZCOMYVTOIFWCI-GJZGRUSLSA-N 2 1 322.453 0.224 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161232336 772187144 /nfs/dbraw/zinc/18/71/44/772187144.db2.gz DFAXYZWINRJGJT-CYBMUJFWSA-N 2 1 312.458 0.503 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187851332 772234736 /nfs/dbraw/zinc/23/47/36/772234736.db2.gz PVNVJJZKNRSFKS-GXTWGEPZSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCNC(=O)c1cccnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161871129 772293384 /nfs/dbraw/zinc/29/33/84/772293384.db2.gz SETKTGKGIBCRFQ-UHFFFAOYSA-N 2 1 303.410 0.832 20 30 DCEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001161914746 772299178 /nfs/dbraw/zinc/29/91/78/772299178.db2.gz PVGPLWZCJXSHJV-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161914746 772299181 /nfs/dbraw/zinc/29/91/81/772299181.db2.gz PVGPLWZCJXSHJV-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161914746 772299183 /nfs/dbraw/zinc/29/91/83/772299183.db2.gz PVGPLWZCJXSHJV-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161914746 772299187 /nfs/dbraw/zinc/29/91/87/772299187.db2.gz PVGPLWZCJXSHJV-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162662877 772403725 /nfs/dbraw/zinc/40/37/25/772403725.db2.gz ILDKLVBXTFYBSQ-UHFFFAOYSA-N 2 1 318.421 0.508 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189025633 772412408 /nfs/dbraw/zinc/41/24/08/772412408.db2.gz CEEKTIHPVOOVDS-QLFBSQMISA-N 2 1 322.453 0.162 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163821868 772578186 /nfs/dbraw/zinc/57/81/86/772578186.db2.gz RCOYYWCADVLVKY-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342912 772907393 /nfs/dbraw/zinc/90/73/93/772907393.db2.gz LPKWGBABHPGPMF-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001192342912 772907395 /nfs/dbraw/zinc/90/73/95/772907395.db2.gz LPKWGBABHPGPMF-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192342912 772907397 /nfs/dbraw/zinc/90/73/97/772907397.db2.gz LPKWGBABHPGPMF-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205519175 772998219 /nfs/dbraw/zinc/99/82/19/772998219.db2.gz YDPVUFKVWCQQEZ-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205519175 772998221 /nfs/dbraw/zinc/99/82/21/772998221.db2.gz YDPVUFKVWCQQEZ-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP Cn1cc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1C#N ZINC001207108644 773173361 /nfs/dbraw/zinc/17/33/61/773173361.db2.gz HEUCJGRMICMISH-UHFFFAOYSA-N 2 1 303.410 0.493 20 30 DCEDMP Cn1cc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1C#N ZINC001207108644 773173364 /nfs/dbraw/zinc/17/33/64/773173364.db2.gz HEUCJGRMICMISH-UHFFFAOYSA-N 2 1 303.410 0.493 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208494155 773478507 /nfs/dbraw/zinc/47/85/07/773478507.db2.gz IHDQOMJAXRYHSH-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208494155 773478512 /nfs/dbraw/zinc/47/85/12/773478512.db2.gz IHDQOMJAXRYHSH-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001197022923 773685001 /nfs/dbraw/zinc/68/50/01/773685001.db2.gz ZFTNNYLXLMQNEP-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001197022923 773685009 /nfs/dbraw/zinc/68/50/09/773685009.db2.gz ZFTNNYLXLMQNEP-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284562 773789933 /nfs/dbraw/zinc/78/99/33/773789933.db2.gz MZOOMSXPVZIZGP-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198743426 773969795 /nfs/dbraw/zinc/96/97/95/773969795.db2.gz AOVDSRPJGREBEJ-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184898 774047167 /nfs/dbraw/zinc/04/71/67/774047167.db2.gz UBKJEOQMJSHJCW-MYPHYYIGSA-N 2 1 317.433 0.309 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001199397821 774098166 /nfs/dbraw/zinc/09/81/66/774098166.db2.gz CPVRVALEGWAYTD-HUUCEWRRSA-N 2 1 306.410 0.791 20 30 DCEDMP C=C1CC[NH2+]C[C@H]1Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])[nH]c1=O ZINC001218204284 774216494 /nfs/dbraw/zinc/21/64/94/774216494.db2.gz PBFKMJRNIZPSEO-SECBINFHSA-N 2 1 322.365 0.460 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183106 774292401 /nfs/dbraw/zinc/29/24/01/774292401.db2.gz VVTADLPWFBUSPX-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183106 774292405 /nfs/dbraw/zinc/29/24/05/774292405.db2.gz VVTADLPWFBUSPX-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200547062 774366214 /nfs/dbraw/zinc/36/62/14/774366214.db2.gz LKBUFQJVSWAFGE-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721137 774398035 /nfs/dbraw/zinc/39/80/35/774398035.db2.gz HVTGQUOIZNOTGT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200806430 774411979 /nfs/dbraw/zinc/41/19/79/774411979.db2.gz PVLZZWRUDYGEKX-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201239891 774469206 /nfs/dbraw/zinc/46/92/06/774469206.db2.gz LYKIPCWKPBPGIE-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724392 774591959 /nfs/dbraw/zinc/59/19/59/774591959.db2.gz JPIQJKVZFAYQLH-ZNMIVQPWSA-N 2 1 315.433 0.794 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001202496764 774729491 /nfs/dbraw/zinc/72/94/91/774729491.db2.gz XRFIVDZZHNAOFY-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001114368426 774817551 /nfs/dbraw/zinc/81/75/51/774817551.db2.gz LQMISXRMRLNHTP-TWMKSMIVSA-N 2 1 319.449 0.557 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001114368426 774817558 /nfs/dbraw/zinc/81/75/58/774817558.db2.gz LQMISXRMRLNHTP-TWMKSMIVSA-N 2 1 319.449 0.557 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001202517984 774836359 /nfs/dbraw/zinc/83/63/59/774836359.db2.gz GRDYHAQUIUUXRN-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550419 774842709 /nfs/dbraw/zinc/84/27/09/774842709.db2.gz RHEFTYHOEQYAFU-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550419 774842721 /nfs/dbraw/zinc/84/27/21/774842721.db2.gz RHEFTYHOEQYAFU-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226608457 775845727 /nfs/dbraw/zinc/84/57/27/775845727.db2.gz IIJRAEUWSADTCM-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041743531 777462891 /nfs/dbraw/zinc/46/28/91/777462891.db2.gz MPGJGYYHJQHLNF-GOSISDBHSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041743531 777462895 /nfs/dbraw/zinc/46/28/95/777462895.db2.gz MPGJGYYHJQHLNF-GOSISDBHSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC001041844972 777538576 /nfs/dbraw/zinc/53/85/76/777538576.db2.gz QMCYHZRJFFRUDH-IBGZPJMESA-N 2 1 313.445 0.889 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270499 777821689 /nfs/dbraw/zinc/82/16/89/777821689.db2.gz OWGRMEABTAVHRB-CVEARBPZSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270499 777821698 /nfs/dbraw/zinc/82/16/98/777821698.db2.gz OWGRMEABTAVHRB-CVEARBPZSA-N 2 1 307.438 0.818 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001278024464 945101960 /nfs/dbraw/zinc/10/19/60/945101960.db2.gz FCUNGBDGNOLUBC-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317655272 945148057 /nfs/dbraw/zinc/14/80/57/945148057.db2.gz PAEAVNQSQSRHAB-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001278179430 945170521 /nfs/dbraw/zinc/17/05/21/945170521.db2.gz QXVLBBPMOQRPLC-CYBMUJFWSA-N 2 1 301.350 0.134 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001317823343 945198669 /nfs/dbraw/zinc/19/86/69/945198669.db2.gz UQYSRUHVVJFBDU-QGZVFWFLSA-N 2 1 322.497 0.672 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001266347936 939086665 /nfs/dbraw/zinc/08/66/65/939086665.db2.gz TXKDVKAHSPBJNW-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCOC(C)C)C1 ZINC001267045828 939322480 /nfs/dbraw/zinc/32/24/80/939322480.db2.gz UQEBKZGHBPDRMB-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCOC(C)C)C1 ZINC001267045828 939322485 /nfs/dbraw/zinc/32/24/85/939322485.db2.gz UQEBKZGHBPDRMB-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267216705 939390737 /nfs/dbraw/zinc/39/07/37/939390737.db2.gz QGVIEUKLYNHNCY-RDJZCZTQSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001267232175 939396692 /nfs/dbraw/zinc/39/66/92/939396692.db2.gz BEPBYIFBPMOABH-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267657716 939615934 /nfs/dbraw/zinc/61/59/34/939615934.db2.gz CTBZDTBLMDLYQR-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267685019 939624868 /nfs/dbraw/zinc/62/48/68/939624868.db2.gz WWOLQZOOCKPIRD-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267685019 939624870 /nfs/dbraw/zinc/62/48/70/939624870.db2.gz WWOLQZOOCKPIRD-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267685019 939624873 /nfs/dbraw/zinc/62/48/73/939624873.db2.gz WWOLQZOOCKPIRD-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001267777891 939680203 /nfs/dbraw/zinc/68/02/03/939680203.db2.gz UWISUMCEMGTVRU-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001267777891 939680205 /nfs/dbraw/zinc/68/02/05/939680205.db2.gz UWISUMCEMGTVRU-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOC(C)C)C1 ZINC001318127972 945272396 /nfs/dbraw/zinc/27/23/96/945272396.db2.gz DVCGLNKFFVXZSG-INIZCTEOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOC(C)C)C1 ZINC001318127972 945272401 /nfs/dbraw/zinc/27/24/01/945272401.db2.gz DVCGLNKFFVXZSG-INIZCTEOSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001279322714 940092331 /nfs/dbraw/zinc/09/23/31/940092331.db2.gz STTCHYHTHXVZCC-UHFFFAOYSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1coc(C)n1 ZINC001482110156 940260972 /nfs/dbraw/zinc/26/09/72/940260972.db2.gz MUNLPFQCICGNEQ-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1coc(C)n1 ZINC001482110156 940260974 /nfs/dbraw/zinc/26/09/74/940260974.db2.gz MUNLPFQCICGNEQ-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)COCCC ZINC001246001258 945311812 /nfs/dbraw/zinc/31/18/12/945311812.db2.gz OPNUMWVJGGLCKT-KGLIPLIRSA-N 2 1 302.415 0.590 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001278432184 945340617 /nfs/dbraw/zinc/34/06/17/945340617.db2.gz BWPASTSGJGMXBF-WMLDXEAASA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001278432184 945340628 /nfs/dbraw/zinc/34/06/28/945340628.db2.gz BWPASTSGJGMXBF-WMLDXEAASA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001278432184 945340639 /nfs/dbraw/zinc/34/06/39/945340639.db2.gz BWPASTSGJGMXBF-WMLDXEAASA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001278432184 945340645 /nfs/dbraw/zinc/34/06/45/945340645.db2.gz BWPASTSGJGMXBF-WMLDXEAASA-N 2 1 324.469 0.600 20 30 DCEDMP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC#CCOC ZINC001269417395 940703309 /nfs/dbraw/zinc/70/33/09/940703309.db2.gz HFIQEOCFLVVDDY-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001269718822 940763061 /nfs/dbraw/zinc/76/30/61/940763061.db2.gz DRZJDLTVXVVFGQ-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001269718822 940763065 /nfs/dbraw/zinc/76/30/65/940763065.db2.gz DRZJDLTVXVVFGQ-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001269718822 940763067 /nfs/dbraw/zinc/76/30/67/940763067.db2.gz DRZJDLTVXVVFGQ-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001270497060 940911009 /nfs/dbraw/zinc/91/10/09/940911009.db2.gz SSOAQAJVZCUQDW-ILXRZTDVSA-N 2 1 324.469 0.361 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCO)C2)CC1 ZINC001271017245 941241919 /nfs/dbraw/zinc/24/19/19/941241919.db2.gz NJPMSTDTQHEIHR-SFHVURJKSA-N 2 1 321.465 0.542 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001271146614 941288600 /nfs/dbraw/zinc/28/86/00/941288600.db2.gz WWEKDXGWDBGFTO-WMLDXEAASA-N 2 1 318.421 0.583 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001271146614 941288602 /nfs/dbraw/zinc/28/86/02/941288602.db2.gz WWEKDXGWDBGFTO-WMLDXEAASA-N 2 1 318.421 0.583 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271957919 941491348 /nfs/dbraw/zinc/49/13/48/941491348.db2.gz KNIBWFIWQZAAMA-FUHWJXTLSA-N 2 1 321.465 0.847 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482661140 941613031 /nfs/dbraw/zinc/61/30/31/941613031.db2.gz CMWGAYDCACAVBB-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483293995 942245424 /nfs/dbraw/zinc/24/54/24/942245424.db2.gz PWHRWDHGOQAEAH-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483466113 942372655 /nfs/dbraw/zinc/37/26/55/942372655.db2.gz YLTCJQKOFUOAHV-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001483570447 942432428 /nfs/dbraw/zinc/43/24/28/942432428.db2.gz KHWJFEWOTUVKBR-HNNXBMFYSA-N 2 1 304.394 0.858 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484042956 943113819 /nfs/dbraw/zinc/11/38/19/943113819.db2.gz CXDIANDTNWXJRG-AEFFLSMTSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC#CC)C1 ZINC001484098448 943145609 /nfs/dbraw/zinc/14/56/09/943145609.db2.gz UAPHPUJADFJQNM-WMZOPIPTSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC#CC)C1 ZINC001484098448 943145612 /nfs/dbraw/zinc/14/56/12/943145612.db2.gz UAPHPUJADFJQNM-WMZOPIPTSA-N 2 1 301.434 0.936 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001484721406 943539496 /nfs/dbraw/zinc/53/94/96/943539496.db2.gz GWKSUIQULSKQBM-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001484721406 943539499 /nfs/dbraw/zinc/53/94/99/943539499.db2.gz GWKSUIQULSKQBM-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001484721406 943539503 /nfs/dbraw/zinc/53/95/03/943539503.db2.gz GWKSUIQULSKQBM-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001485022210 943653136 /nfs/dbraw/zinc/65/31/36/943653136.db2.gz YKTGDUQWLLHOIS-JKSUJKDBSA-N 2 1 321.465 0.683 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001491046792 943723333 /nfs/dbraw/zinc/72/33/33/943723333.db2.gz BLLVJFBCHNUOOO-YESZJQIVSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491180112 943815947 /nfs/dbraw/zinc/81/59/47/943815947.db2.gz PBVOPDZVMKQDDG-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(C#N)cc1 ZINC001491420390 943984575 /nfs/dbraw/zinc/98/45/75/943984575.db2.gz JKMVSUGSSPCBRB-BBRMVZONSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(C#N)cc1 ZINC001491420390 943984580 /nfs/dbraw/zinc/98/45/80/943984580.db2.gz JKMVSUGSSPCBRB-BBRMVZONSA-N 2 1 316.405 0.483 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001485643811 944060799 /nfs/dbraw/zinc/06/07/99/944060799.db2.gz MPWNMYDQGMZQNN-LSDHHAIUSA-N 2 1 318.421 0.845 20 30 DCEDMP Cn1cc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc1C#N ZINC001276608756 944231748 /nfs/dbraw/zinc/23/17/48/944231748.db2.gz URUIGQLWUGFRHR-IRXDYDNUSA-N 2 1 317.437 0.343 20 30 DCEDMP Cn1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc1C#N ZINC001276608756 944231754 /nfs/dbraw/zinc/23/17/54/944231754.db2.gz URUIGQLWUGFRHR-IRXDYDNUSA-N 2 1 317.437 0.343 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001276791381 944299948 /nfs/dbraw/zinc/29/99/48/944299948.db2.gz UWMXLBIWPRSRIS-GJZGRUSLSA-N 2 1 304.394 0.420 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001485883423 944380589 /nfs/dbraw/zinc/38/05/89/944380589.db2.gz SQXRVEMNYNHHGE-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001486182203 944628778 /nfs/dbraw/zinc/62/87/78/944628778.db2.gz XOMQKIIAUZWMMP-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001486182203 944628781 /nfs/dbraw/zinc/62/87/81/944628781.db2.gz XOMQKIIAUZWMMP-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001486312176 944772494 /nfs/dbraw/zinc/77/24/94/944772494.db2.gz SCWJBKQZUPIHBV-HOCLYGCPSA-N 2 1 318.421 0.186 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317096631 944790700 /nfs/dbraw/zinc/79/07/00/944790700.db2.gz IEKUULVPBWQAAR-KKUMJFAQSA-N 2 1 311.426 0.147 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317096631 944790705 /nfs/dbraw/zinc/79/07/05/944790705.db2.gz IEKUULVPBWQAAR-KKUMJFAQSA-N 2 1 311.426 0.147 20 30 DCEDMP CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC#CCOC)C2)C1)[NH+](C)C ZINC001277525203 944862418 /nfs/dbraw/zinc/86/24/18/944862418.db2.gz QQMXINVJGPWPMN-SJLPKXTDSA-N 2 1 321.465 0.901 20 30 DCEDMP N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3CC2CC[NH2+]CC2)C1 ZINC001277821473 944994584 /nfs/dbraw/zinc/99/45/84/944994584.db2.gz JAFXEUUOYROTKU-WBVHZDCISA-N 2 1 302.422 0.822 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001277844098 945004696 /nfs/dbraw/zinc/00/46/96/945004696.db2.gz HCVISDIXHGDNLC-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001277844098 945004704 /nfs/dbraw/zinc/00/47/04/945004704.db2.gz HCVISDIXHGDNLC-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001317512942 945011651 /nfs/dbraw/zinc/01/16/51/945011651.db2.gz FMVKIAOPHZCHTB-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001317512942 945011660 /nfs/dbraw/zinc/01/16/60/945011660.db2.gz FMVKIAOPHZCHTB-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001317512942 945011671 /nfs/dbraw/zinc/01/16/71/945011671.db2.gz FMVKIAOPHZCHTB-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001317512942 945011677 /nfs/dbraw/zinc/01/16/77/945011677.db2.gz FMVKIAOPHZCHTB-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317525232 945024843 /nfs/dbraw/zinc/02/48/43/945024843.db2.gz FMDGQYRAGKFTGC-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001277938342 945050105 /nfs/dbraw/zinc/05/01/05/945050105.db2.gz SHRCIVXKBPTRFK-ZDUSSCGKSA-N 2 1 304.394 0.954 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCCN(C(C)=O)C1 ZINC001246305445 945380932 /nfs/dbraw/zinc/38/09/32/945380932.db2.gz RXAHHRXOOBRBCA-CABCVRRESA-N 2 1 311.426 0.814 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001318493380 945385798 /nfs/dbraw/zinc/38/57/98/945385798.db2.gz ZCWOUKZKWSOIIQ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318493380 945385810 /nfs/dbraw/zinc/38/58/10/945385810.db2.gz ZCWOUKZKWSOIIQ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001318493380 945385819 /nfs/dbraw/zinc/38/58/19/945385819.db2.gz ZCWOUKZKWSOIIQ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001318493380 945385829 /nfs/dbraw/zinc/38/58/29/945385829.db2.gz ZCWOUKZKWSOIIQ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001318492187 945387257 /nfs/dbraw/zinc/38/72/57/945387257.db2.gz OJOSPIJANOYTDG-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001318492187 945387265 /nfs/dbraw/zinc/38/72/65/945387265.db2.gz OJOSPIJANOYTDG-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001319981626 945710557 /nfs/dbraw/zinc/71/05/57/945710557.db2.gz ROOQXWARQLCVIN-CABCVRRESA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001319981626 945710561 /nfs/dbraw/zinc/71/05/61/945710561.db2.gz ROOQXWARQLCVIN-CABCVRRESA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001319981626 945710567 /nfs/dbraw/zinc/71/05/67/945710567.db2.gz ROOQXWARQLCVIN-CABCVRRESA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001319981626 945710571 /nfs/dbraw/zinc/71/05/71/945710571.db2.gz ROOQXWARQLCVIN-CABCVRRESA-N 2 1 322.453 0.258 20 30 DCEDMP C#CCOC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001251890718 945808628 /nfs/dbraw/zinc/80/86/28/945808628.db2.gz GLQPKQSWQPNEHD-WNRNVDISSA-N 2 1 300.402 0.717 20 30 DCEDMP C#CCOC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001251890718 945808632 /nfs/dbraw/zinc/80/86/32/945808632.db2.gz GLQPKQSWQPNEHD-WNRNVDISSA-N 2 1 300.402 0.717 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278777356 946364077 /nfs/dbraw/zinc/36/40/77/946364077.db2.gz YRNBONUBCHVTQP-NVXWUHKLSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278777356 946364086 /nfs/dbraw/zinc/36/40/86/946364086.db2.gz YRNBONUBCHVTQP-NVXWUHKLSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001278777356 946364097 /nfs/dbraw/zinc/36/40/97/946364097.db2.gz YRNBONUBCHVTQP-NVXWUHKLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001278782559 946385258 /nfs/dbraw/zinc/38/52/58/946385258.db2.gz YWBBDOITECYKJE-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278782559 946385272 /nfs/dbraw/zinc/38/52/72/946385272.db2.gz YWBBDOITECYKJE-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278782559 946385287 /nfs/dbraw/zinc/38/52/87/946385287.db2.gz YWBBDOITECYKJE-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001278786876 946400184 /nfs/dbraw/zinc/40/01/84/946400184.db2.gz KSOCTSPGZUIKTC-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001278786876 946400193 /nfs/dbraw/zinc/40/01/93/946400193.db2.gz KSOCTSPGZUIKTC-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001278786876 946400201 /nfs/dbraw/zinc/40/02/01/946400201.db2.gz KSOCTSPGZUIKTC-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001273277670 946415418 /nfs/dbraw/zinc/41/54/18/946415418.db2.gz WWFNXVZRNMEZKL-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001273298026 946446312 /nfs/dbraw/zinc/44/63/12/946446312.db2.gz HDJVPRADKTXJFO-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001278828825 946452636 /nfs/dbraw/zinc/45/26/36/946452636.db2.gz QVPCYRWUNPIIPO-QGZVFWFLSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCOC)C1 ZINC001324943090 947582280 /nfs/dbraw/zinc/58/22/80/947582280.db2.gz CLSKUYJBCKYAFP-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCOC)C1 ZINC001324943090 947582287 /nfs/dbraw/zinc/58/22/87/947582287.db2.gz CLSKUYJBCKYAFP-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCOC)C1 ZINC001324943090 947582292 /nfs/dbraw/zinc/58/22/92/947582292.db2.gz CLSKUYJBCKYAFP-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCOC)C1 ZINC001324943090 947582303 /nfs/dbraw/zinc/58/23/03/947582303.db2.gz CLSKUYJBCKYAFP-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001324973696 947594532 /nfs/dbraw/zinc/59/45/32/947594532.db2.gz ZUFXRRSDPCPKHD-QGZVFWFLSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001324973696 947594536 /nfs/dbraw/zinc/59/45/36/947594536.db2.gz ZUFXRRSDPCPKHD-QGZVFWFLSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325109698 947657864 /nfs/dbraw/zinc/65/78/64/947657864.db2.gz GSDCLDSQPBYXHE-AEFFLSMTSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109698 947657877 /nfs/dbraw/zinc/65/78/77/947657877.db2.gz GSDCLDSQPBYXHE-AEFFLSMTSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109698 947657893 /nfs/dbraw/zinc/65/78/93/947657893.db2.gz GSDCLDSQPBYXHE-AEFFLSMTSA-N 2 1 321.465 0.683 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC#CCOC)C1 ZINC001325456310 947801067 /nfs/dbraw/zinc/80/10/67/947801067.db2.gz NWEKFKIAESVZNE-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001263105570 947810490 /nfs/dbraw/zinc/81/04/90/947810490.db2.gz SGOPFDWPIDFMSP-KBPBESRZSA-N 2 1 308.426 0.093 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001326053845 948034913 /nfs/dbraw/zinc/03/49/13/948034913.db2.gz ZSAGILJDDQHILY-MRXNPFEDSA-N 2 1 309.454 0.541 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001273729514 948052787 /nfs/dbraw/zinc/05/27/87/948052787.db2.gz UFFDQCRXVKYGGC-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001273729514 948052794 /nfs/dbraw/zinc/05/27/94/948052794.db2.gz UFFDQCRXVKYGGC-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001327277124 948448217 /nfs/dbraw/zinc/44/82/17/948448217.db2.gz LVBMIHZZPJLXAO-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCOCC1 ZINC001327634324 948578554 /nfs/dbraw/zinc/57/85/54/948578554.db2.gz FFDDBMYNXGCJRP-JKSUJKDBSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001273864623 948640679 /nfs/dbraw/zinc/64/06/79/948640679.db2.gz ZIGBZAWRVJVNBU-HUUCEWRRSA-N 2 1 321.465 0.587 20 30 DCEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273880839 948651346 /nfs/dbraw/zinc/65/13/46/948651346.db2.gz GPLJYHNWRRBCLR-NVXWUHKLSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](CC)OC)C1 ZINC001264394395 948958076 /nfs/dbraw/zinc/95/80/76/948958076.db2.gz ZNPJFULNAXAOMI-YVSFHVDLSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](CC)OC)C1 ZINC001264394395 948958083 /nfs/dbraw/zinc/95/80/83/948958083.db2.gz ZNPJFULNAXAOMI-YVSFHVDLSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264636170 949051043 /nfs/dbraw/zinc/05/10/43/949051043.db2.gz OVXRCWZNTRSCMY-INIZCTEOSA-N 2 1 321.465 0.944 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001264742698 949101220 /nfs/dbraw/zinc/10/12/20/949101220.db2.gz CUFSBYNCRDBRBA-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001264742698 949101229 /nfs/dbraw/zinc/10/12/29/949101229.db2.gz CUFSBYNCRDBRBA-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001265073183 949272131 /nfs/dbraw/zinc/27/21/31/949272131.db2.gz SVUYOPRPXARJRD-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)COC)C1 ZINC001488834080 949297625 /nfs/dbraw/zinc/29/76/25/949297625.db2.gz FPIUQWSFGHRNAJ-VGWMRTNUSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)COC)C1 ZINC001488834080 949297646 /nfs/dbraw/zinc/29/76/46/949297646.db2.gz FPIUQWSFGHRNAJ-VGWMRTNUSA-N 2 1 307.438 0.603 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#CCOC)C1 ZINC001265231485 949473662 /nfs/dbraw/zinc/47/36/62/949473662.db2.gz ZOFFCPCTBPSEAL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#CCOC)C1 ZINC001265231485 949473674 /nfs/dbraw/zinc/47/36/74/949473674.db2.gz ZOFFCPCTBPSEAL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC001265231485 949473686 /nfs/dbraw/zinc/47/36/86/949473686.db2.gz ZOFFCPCTBPSEAL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001265231485 949473696 /nfs/dbraw/zinc/47/36/96/949473696.db2.gz ZOFFCPCTBPSEAL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001265258502 949509990 /nfs/dbraw/zinc/50/99/90/949509990.db2.gz KIOBIGHJUMHYQN-INIZCTEOSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001265258502 949510005 /nfs/dbraw/zinc/51/00/05/949510005.db2.gz KIOBIGHJUMHYQN-INIZCTEOSA-N 2 1 306.454 0.226 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329500682 949643381 /nfs/dbraw/zinc/64/33/81/949643381.db2.gz KYYJXPXYCIFSBZ-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001265504752 949734509 /nfs/dbraw/zinc/73/45/09/949734509.db2.gz HOGNXAOQBYPQCF-ZQIUZPCESA-N 2 1 320.437 0.011 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265597521 949803522 /nfs/dbraw/zinc/80/35/22/949803522.db2.gz ZWOLTBIIFLOHFD-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001265597521 949803542 /nfs/dbraw/zinc/80/35/42/949803542.db2.gz ZWOLTBIIFLOHFD-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265597521 949803565 /nfs/dbraw/zinc/80/35/65/949803565.db2.gz ZWOLTBIIFLOHFD-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001330345510 950291919 /nfs/dbraw/zinc/29/19/19/950291919.db2.gz HJDWBCPOEQQEOO-OSYLJGHBSA-N 2 1 321.465 0.969 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001330345510 950291937 /nfs/dbraw/zinc/29/19/37/950291937.db2.gz HJDWBCPOEQQEOO-OSYLJGHBSA-N 2 1 321.465 0.969 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001280707013 951771382 /nfs/dbraw/zinc/77/13/82/951771382.db2.gz FSMRZUBPYMCDJD-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001280707013 951771391 /nfs/dbraw/zinc/77/13/91/951771391.db2.gz FSMRZUBPYMCDJD-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001282403901 953568950 /nfs/dbraw/zinc/56/89/50/953568950.db2.gz YOJRFJBWDJDEMI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001282403901 953568955 /nfs/dbraw/zinc/56/89/55/953568955.db2.gz YOJRFJBWDJDEMI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001282403901 953568971 /nfs/dbraw/zinc/56/89/71/953568971.db2.gz YOJRFJBWDJDEMI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001282403901 953568983 /nfs/dbraw/zinc/56/89/83/953568983.db2.gz YOJRFJBWDJDEMI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001282403901 953568993 /nfs/dbraw/zinc/56/89/93/953568993.db2.gz YOJRFJBWDJDEMI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001282403903 953570427 /nfs/dbraw/zinc/57/04/27/953570427.db2.gz YOJRFJBWDJDEMI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001282403903 953570434 /nfs/dbraw/zinc/57/04/34/953570434.db2.gz YOJRFJBWDJDEMI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001282403903 953570442 /nfs/dbraw/zinc/57/04/42/953570442.db2.gz YOJRFJBWDJDEMI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001282403903 953570451 /nfs/dbraw/zinc/57/04/51/953570451.db2.gz YOJRFJBWDJDEMI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001282403903 953570455 /nfs/dbraw/zinc/57/04/55/953570455.db2.gz YOJRFJBWDJDEMI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001283080500 953985788 /nfs/dbraw/zinc/98/57/88/953985788.db2.gz RNGAWEMZPDCCPW-BZUAXINKSA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001283111411 954019756 /nfs/dbraw/zinc/01/97/56/954019756.db2.gz ROHKSGQYFPTUIM-DSPLQEQRSA-N 2 1 321.465 0.993 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001316626211 954272503 /nfs/dbraw/zinc/27/25/03/954272503.db2.gz ZNPSBVWVCXFVTQ-HRCADAONSA-N 2 1 307.438 0.462 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001283818509 954631451 /nfs/dbraw/zinc/63/14/51/954631451.db2.gz QDGPIVKVJWPHIH-KRWDZBQOSA-N 2 1 317.433 0.447 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001283832311 954643697 /nfs/dbraw/zinc/64/36/97/954643697.db2.gz TVRULWJQWKMKAT-INIZCTEOSA-N 2 1 303.406 0.208 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001283832311 954643698 /nfs/dbraw/zinc/64/36/98/954643698.db2.gz TVRULWJQWKMKAT-INIZCTEOSA-N 2 1 303.406 0.208 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001491675572 959118738 /nfs/dbraw/zinc/11/87/38/959118738.db2.gz VDHYKYPPSMURKW-JSGCOSHPSA-N 2 1 319.409 0.073 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001379281653 962535324 /nfs/dbraw/zinc/53/53/24/962535324.db2.gz FEDFWGGWYPMJEV-NWDGAFQWSA-N 2 1 322.434 0.138 20 30 DCEDMP C=CCN1CC[C@H](N(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001492816578 992544877 /nfs/dbraw/zinc/54/48/77/992544877.db2.gz IPPHDQRKFKXQHM-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001492816578 992544887 /nfs/dbraw/zinc/54/48/87/992544887.db2.gz IPPHDQRKFKXQHM-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001492816578 992544897 /nfs/dbraw/zinc/54/48/97/992544897.db2.gz IPPHDQRKFKXQHM-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001492816578 992544905 /nfs/dbraw/zinc/54/49/05/992544905.db2.gz IPPHDQRKFKXQHM-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001492816578 992544913 /nfs/dbraw/zinc/54/49/13/992544913.db2.gz IPPHDQRKFKXQHM-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(C)C)C1 ZINC001502573940 1015979477 /nfs/dbraw/zinc/97/94/77/1015979477.db2.gz WKFBVHVBSSCFMV-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(C)C)C1 ZINC001502573940 1015979483 /nfs/dbraw/zinc/97/94/83/1015979483.db2.gz WKFBVHVBSSCFMV-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001502598505 1015991146 /nfs/dbraw/zinc/99/11/46/1015991146.db2.gz ZDJAHNDGMFNFKS-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001507207150 1016124990 /nfs/dbraw/zinc/12/49/90/1016124990.db2.gz HBMWOEQJDGUKNO-GOEBONIOSA-N 2 1 307.438 0.483 20 30 DCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001467727838 1016193815 /nfs/dbraw/zinc/19/38/15/1016193815.db2.gz SHDQVKHGISGMGV-HNNXBMFYSA-N 2 1 324.469 0.363 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001507387632 1016298328 /nfs/dbraw/zinc/29/83/28/1016298328.db2.gz QYYODURTRUYQAE-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001507387632 1016298334 /nfs/dbraw/zinc/29/83/34/1016298334.db2.gz QYYODURTRUYQAE-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001507387632 1016298337 /nfs/dbraw/zinc/29/83/37/1016298337.db2.gz QYYODURTRUYQAE-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001507387632 1016298341 /nfs/dbraw/zinc/29/83/41/1016298341.db2.gz QYYODURTRUYQAE-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001402610371 1001439927 /nfs/dbraw/zinc/43/99/27/1001439927.db2.gz HZEXHOBZVUEDLU-CYBMUJFWSA-N 2 1 303.834 0.896 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC#CC)CC1 ZINC001507726063 1016550813 /nfs/dbraw/zinc/55/08/13/1016550813.db2.gz DEBSPWLUEDRJIF-KRWDZBQOSA-N 2 1 319.449 0.106 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001421981516 1009357695 /nfs/dbraw/zinc/35/76/95/1009357695.db2.gz JTCULBKGTYCHER-OLZOCXBDSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001421981516 1009357707 /nfs/dbraw/zinc/35/77/07/1009357707.db2.gz JTCULBKGTYCHER-OLZOCXBDSA-N 2 1 303.834 0.896 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1CC ZINC001479645442 1017619308 /nfs/dbraw/zinc/61/93/08/1017619308.db2.gz PXJMSZWNEJUHBT-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1CC ZINC001479645442 1017619314 /nfs/dbraw/zinc/61/93/14/1017619314.db2.gz PXJMSZWNEJUHBT-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1CC ZINC001479645442 1017619323 /nfs/dbraw/zinc/61/93/23/1017619323.db2.gz PXJMSZWNEJUHBT-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1CC ZINC001479645442 1017619329 /nfs/dbraw/zinc/61/93/29/1017619329.db2.gz PXJMSZWNEJUHBT-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001479653011 1017631300 /nfs/dbraw/zinc/63/13/00/1017631300.db2.gz ZLMVFGKBQQWFFG-JKSUJKDBSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001479653011 1017631308 /nfs/dbraw/zinc/63/13/08/1017631308.db2.gz ZLMVFGKBQQWFFG-JKSUJKDBSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001479653011 1017631318 /nfs/dbraw/zinc/63/13/18/1017631318.db2.gz ZLMVFGKBQQWFFG-JKSUJKDBSA-N 2 1 307.438 0.389 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001479770359 1017726184 /nfs/dbraw/zinc/72/61/84/1017726184.db2.gz CHRQDGLDEFSBBR-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001479770359 1017726194 /nfs/dbraw/zinc/72/61/94/1017726194.db2.gz CHRQDGLDEFSBBR-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001479770359 1017726207 /nfs/dbraw/zinc/72/62/07/1017726207.db2.gz CHRQDGLDEFSBBR-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001499857821 1018106956 /nfs/dbraw/zinc/10/69/56/1018106956.db2.gz NYZVZRTXHCKXNJ-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001500057539 1018193934 /nfs/dbraw/zinc/19/39/34/1018193934.db2.gz ITABNIWYIVSWAK-LSDHHAIUSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001480088233 1018194158 /nfs/dbraw/zinc/19/41/58/1018194158.db2.gz WDEZXQUKRMISBK-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001500288878 1018383700 /nfs/dbraw/zinc/38/37/00/1018383700.db2.gz DAGQWSACXGMOPF-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001500288878 1018383705 /nfs/dbraw/zinc/38/37/05/1018383705.db2.gz DAGQWSACXGMOPF-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001495233850 1018413220 /nfs/dbraw/zinc/41/32/20/1018413220.db2.gz MZYJPLDMFMCFDF-RDJZCZTQSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388430 1018485615 /nfs/dbraw/zinc/48/56/15/1018485615.db2.gz XSXQUBHGJSNYOZ-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001500686802 1018580166 /nfs/dbraw/zinc/58/01/66/1018580166.db2.gz LVKZWKUNHDEQOF-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001500686802 1018580171 /nfs/dbraw/zinc/58/01/71/1018580171.db2.gz LVKZWKUNHDEQOF-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001500686802 1018580181 /nfs/dbraw/zinc/58/01/81/1018580181.db2.gz LVKZWKUNHDEQOF-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001500736628 1018618733 /nfs/dbraw/zinc/61/87/33/1018618733.db2.gz VWZYULLTRAHNSI-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001500736628 1018618740 /nfs/dbraw/zinc/61/87/40/1018618740.db2.gz VWZYULLTRAHNSI-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001500736628 1018618745 /nfs/dbraw/zinc/61/87/45/1018618745.db2.gz VWZYULLTRAHNSI-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480538074 1018637321 /nfs/dbraw/zinc/63/73/21/1018637321.db2.gz STZITNYTMWKZQJ-UONOGXRCSA-N 2 1 324.469 0.197 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495885849 1018823718 /nfs/dbraw/zinc/82/37/18/1018823718.db2.gz SEZYNNUCWQTDLV-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495885849 1018823745 /nfs/dbraw/zinc/82/37/45/1018823745.db2.gz SEZYNNUCWQTDLV-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC#CCOC)C1 ZINC001480740022 1018844595 /nfs/dbraw/zinc/84/45/95/1018844595.db2.gz UPDBVRKWSKMCPN-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001480740022 1018844607 /nfs/dbraw/zinc/84/46/07/1018844607.db2.gz UPDBVRKWSKMCPN-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001480740022 1018844622 /nfs/dbraw/zinc/84/46/22/1018844622.db2.gz UPDBVRKWSKMCPN-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001501331558 1019064049 /nfs/dbraw/zinc/06/40/49/1019064049.db2.gz KSUGJRBYXIXISM-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001501331558 1019064065 /nfs/dbraw/zinc/06/40/65/1019064065.db2.gz KSUGJRBYXIXISM-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001501331558 1019064083 /nfs/dbraw/zinc/06/40/83/1019064083.db2.gz KSUGJRBYXIXISM-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@H]1CCCOC1 ZINC001496717728 1019567667 /nfs/dbraw/zinc/56/76/67/1019567667.db2.gz AGAUSQARXHUNCN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@H]1CCCOC1 ZINC001496717728 1019567684 /nfs/dbraw/zinc/56/76/84/1019567684.db2.gz AGAUSQARXHUNCN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H]1CCCOC1 ZINC001496717728 1019567703 /nfs/dbraw/zinc/56/77/03/1019567703.db2.gz AGAUSQARXHUNCN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H]1CCCOC1 ZINC001496717728 1019567717 /nfs/dbraw/zinc/56/77/17/1019567717.db2.gz AGAUSQARXHUNCN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001493726192 1019661763 /nfs/dbraw/zinc/66/17/63/1019661763.db2.gz QZHPPXRREVOAEZ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001493962370 1019856683 /nfs/dbraw/zinc/85/66/83/1019856683.db2.gz VNGQRNMKIOBQRJ-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001493962370 1019856697 /nfs/dbraw/zinc/85/66/97/1019856697.db2.gz VNGQRNMKIOBQRJ-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262317940 529800054 /nfs/dbraw/zinc/80/00/54/529800054.db2.gz RAGKXLPNLSSTMI-XJKSGUPXSA-N 2 1 304.394 0.481 20 30 DCEDMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264114854 530056970 /nfs/dbraw/zinc/05/69/70/530056970.db2.gz SCGIWEGFIPFBKL-CYBMUJFWSA-N 2 1 303.414 0.008 20 30 DCEDMP COc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000174348883 198323469 /nfs/dbraw/zinc/32/34/69/198323469.db2.gz VHVBARBUMCAUCB-UHFFFAOYSA-N 2 1 316.405 0.821 20 30 DCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(NCC(=O)N(C)C)=[NH+]C1CC1 ZINC000262348613 238172887 /nfs/dbraw/zinc/17/28/87/238172887.db2.gz YJDNGJBBQKSEMY-BXUZGUMPSA-N 2 1 307.442 0.255 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000057153616 395940433 /nfs/dbraw/zinc/94/04/33/395940433.db2.gz CZBLKPBWLZYDFB-QGZVFWFLSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264323882 396271311 /nfs/dbraw/zinc/27/13/11/396271311.db2.gz YHLOBJKLHAVMLP-CQSZACIVSA-N 2 1 319.457 0.644 20 30 DCEDMP CN1CC[NH+]=C1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000284914315 415603467 /nfs/dbraw/zinc/60/34/67/415603467.db2.gz BFZNRBOLPNDGMG-UHFFFAOYSA-N 2 1 302.426 0.485 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000329423218 416169746 /nfs/dbraw/zinc/16/97/46/416169746.db2.gz HSIRJPCYADYLRC-VNHYZAJKSA-N 2 1 310.442 0.382 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000329423218 416169751 /nfs/dbraw/zinc/16/97/51/416169751.db2.gz HSIRJPCYADYLRC-VNHYZAJKSA-N 2 1 310.442 0.382 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339438178 416159137 /nfs/dbraw/zinc/15/91/37/416159137.db2.gz ASIXAIRLDWTZGK-XJKSGUPXSA-N 2 1 308.426 0.804 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000491785101 416629454 /nfs/dbraw/zinc/62/94/54/416629454.db2.gz ROZYVHXRNUKZON-HNNXBMFYSA-N 2 1 324.469 0.428 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000491785101 416629457 /nfs/dbraw/zinc/62/94/57/416629457.db2.gz ROZYVHXRNUKZON-HNNXBMFYSA-N 2 1 324.469 0.428 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000491785101 416629461 /nfs/dbraw/zinc/62/94/61/416629461.db2.gz ROZYVHXRNUKZON-HNNXBMFYSA-N 2 1 324.469 0.428 20 30 DCEDMP C[NH+](C[C@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)C1CC1 ZINC000515095271 416692787 /nfs/dbraw/zinc/69/27/87/416692787.db2.gz GLJOILXMMAFYOK-GFCCVEGCSA-N 2 1 306.414 0.183 20 30 DCEDMP C[NH+](C[C@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)C1CC1 ZINC000515095271 416692790 /nfs/dbraw/zinc/69/27/90/416692790.db2.gz GLJOILXMMAFYOK-GFCCVEGCSA-N 2 1 306.414 0.183 20 30 DCEDMP C[NH+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000515095271 416692793 /nfs/dbraw/zinc/69/27/93/416692793.db2.gz GLJOILXMMAFYOK-GFCCVEGCSA-N 2 1 306.414 0.183 20 30 DCEDMP C[NH+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000515095271 416692798 /nfs/dbraw/zinc/69/27/98/416692798.db2.gz GLJOILXMMAFYOK-GFCCVEGCSA-N 2 1 306.414 0.183 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369398078 416769573 /nfs/dbraw/zinc/76/95/73/416769573.db2.gz LMHLGLRQAZAWQX-HOTGVXAUSA-N 2 1 308.470 0.777 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636743103 416851407 /nfs/dbraw/zinc/85/14/07/416851407.db2.gz VOYMNVVIMGNXIY-OAHLLOKOSA-N 2 1 310.442 0.393 20 30 DCEDMP C=CC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]1 ZINC000662705827 417862222 /nfs/dbraw/zinc/86/22/22/417862222.db2.gz RGGOZRRKYYGTIG-YOEHRIQHSA-N 2 1 322.453 0.388 20 30 DCEDMP C=CC[C@]1(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCC[NH2+]1 ZINC000662728699 417876762 /nfs/dbraw/zinc/87/67/62/417876762.db2.gz VQPPWCSGDFMGLH-QGZVFWFLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CC[C@@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCC[NH2+]1 ZINC000662756242 417891493 /nfs/dbraw/zinc/89/14/93/417891493.db2.gz ILGVYDXRQHVGNJ-WMZOPIPTSA-N 2 1 320.481 0.923 20 30 DCEDMP C=CC[C@@]1(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662758893 417894035 /nfs/dbraw/zinc/89/40/35/417894035.db2.gz VASVDNDCAKYQEN-RDJZCZTQSA-N 2 1 308.470 0.684 20 30 DCEDMP C=CC[C@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]1 ZINC000662766852 417896799 /nfs/dbraw/zinc/89/67/99/417896799.db2.gz NRSOKCVNLYKKDK-WMLDXEAASA-N 2 1 320.437 0.108 20 30 DCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001263931798 1159145884 /nfs/dbraw/zinc/14/58/84/1159145884.db2.gz JRBIKAKHKXYQKB-ARFHVFGLSA-N 2 1 307.438 0.605 20 30 DCEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000112201519 332311124 /nfs/dbraw/zinc/31/11/24/332311124.db2.gz SFOHEZYMTOLLRC-JKSUJKDBSA-N 2 1 322.453 0.791 20 30 DCEDMP C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201519 332311126 /nfs/dbraw/zinc/31/11/26/332311126.db2.gz SFOHEZYMTOLLRC-JKSUJKDBSA-N 2 1 322.453 0.791 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCN1CCOCC1(C)C ZINC000491761218 333193891 /nfs/dbraw/zinc/19/38/91/333193891.db2.gz VDGUOLKDISQVMQ-UHFFFAOYSA-N 2 1 310.442 0.352 20 30 DCEDMP [NH2+]=C(NCCCc1nccs1)NCCC[NH+]1CCOCC1 ZINC000290736144 334174683 /nfs/dbraw/zinc/17/46/83/334174683.db2.gz WOCAENRZRGWVIS-UHFFFAOYSA-N 2 1 311.455 0.702 20 30 DCEDMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000330176477 336121100 /nfs/dbraw/zinc/12/11/00/336121100.db2.gz CIMMLCUPPJNLKC-KLHDSHLOSA-N 2 1 324.469 0.914 20 30 DCEDMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000330176477 336121102 /nfs/dbraw/zinc/12/11/02/336121102.db2.gz CIMMLCUPPJNLKC-KLHDSHLOSA-N 2 1 324.469 0.914 20 30 DCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000564081916 337451425 /nfs/dbraw/zinc/45/14/25/337451425.db2.gz NRGWFCDHNDLAIV-ZNMIVQPWSA-N 2 1 308.426 0.767 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001568227705 1160608925 /nfs/dbraw/zinc/60/89/25/1160608925.db2.gz GWFAOCBCNBFZIA-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001568227705 1160608926 /nfs/dbraw/zinc/60/89/26/1160608926.db2.gz GWFAOCBCNBFZIA-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001569137756 1160956319 /nfs/dbraw/zinc/95/63/19/1160956319.db2.gz HPQYDEVMVNAFCB-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001569137756 1160956323 /nfs/dbraw/zinc/95/63/23/1160956323.db2.gz HPQYDEVMVNAFCB-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001569137756 1160956327 /nfs/dbraw/zinc/95/63/27/1160956327.db2.gz HPQYDEVMVNAFCB-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001569137756 1160956331 /nfs/dbraw/zinc/95/63/31/1160956331.db2.gz HPQYDEVMVNAFCB-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343774408 517333807 /nfs/dbraw/zinc/33/38/07/517333807.db2.gz XFNHXADRSJRDIL-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP CCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267416794 528942132 /nfs/dbraw/zinc/94/21/32/528942132.db2.gz JKGAIEKPWVRXEY-OAHLLOKOSA-N 2 1 317.437 0.808 20 30 DCEDMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000329398763 546049192 /nfs/dbraw/zinc/04/91/92/546049192.db2.gz YFVBUNOZMJAARD-HUUCEWRRSA-N 2 1 311.474 0.468 20 30 DCEDMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000329398763 546049194 /nfs/dbraw/zinc/04/91/94/546049194.db2.gz YFVBUNOZMJAARD-HUUCEWRRSA-N 2 1 311.474 0.468 20 30 DCEDMP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000329398763 546049199 /nfs/dbraw/zinc/04/91/99/546049199.db2.gz YFVBUNOZMJAARD-HUUCEWRRSA-N 2 1 311.474 0.468 20 30 DCEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000329398763 546049205 /nfs/dbraw/zinc/04/92/05/546049205.db2.gz YFVBUNOZMJAARD-HUUCEWRRSA-N 2 1 311.474 0.468 20 30 DCEDMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329466341 546049831 /nfs/dbraw/zinc/04/98/31/546049831.db2.gz RXXYZNIMOCUBSI-ZIAGYGMSSA-N 2 1 309.458 0.363 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001665687133 1174551357 /nfs/dbraw/zinc/55/13/57/1174551357.db2.gz XNJHALMVTWCATK-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP [NH2+]=C(NCCCOC1CCCC1)NCCC[NH+]1CCOCC1 ZINC000104182571 660609339 /nfs/dbraw/zinc/60/93/39/660609339.db2.gz FETPRLSTCMTRSS-UHFFFAOYSA-N 2 1 312.458 0.962 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889562 660888965 /nfs/dbraw/zinc/88/89/65/660888965.db2.gz CGWBHYQKISDXHN-OAHLLOKOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC000980454774 660945520 /nfs/dbraw/zinc/94/55/20/660945520.db2.gz YVXSJLCINMIURG-HZPDHXFCSA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208508 661101525 /nfs/dbraw/zinc/10/15/25/661101525.db2.gz ALBXCHFHGJDIEB-JKSUJKDBSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208508 661101526 /nfs/dbraw/zinc/10/15/26/661101526.db2.gz ALBXCHFHGJDIEB-JKSUJKDBSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981208508 661101536 /nfs/dbraw/zinc/10/15/36/661101536.db2.gz ALBXCHFHGJDIEB-JKSUJKDBSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981208508 661101537 /nfs/dbraw/zinc/10/15/37/661101537.db2.gz ALBXCHFHGJDIEB-JKSUJKDBSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891920805 657918244 /nfs/dbraw/zinc/91/82/44/657918244.db2.gz DKRICCJJKKGHAZ-OAHLLOKOSA-N 2 1 322.453 0.399 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001023762329 658217826 /nfs/dbraw/zinc/21/78/26/658217826.db2.gz WQTMMXHDCZMGHN-INIZCTEOSA-N 2 1 321.465 0.542 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972673509 658224719 /nfs/dbraw/zinc/22/47/19/658224719.db2.gz JQZNLDZMOZXFJC-KRWDZBQOSA-N 2 1 305.422 0.409 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972673509 658224726 /nfs/dbraw/zinc/22/47/26/658224726.db2.gz JQZNLDZMOZXFJC-KRWDZBQOSA-N 2 1 305.422 0.409 20 30 DCEDMP C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437412 658768847 /nfs/dbraw/zinc/76/88/47/658768847.db2.gz KBNBIPROOHMQJQ-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437412 658768849 /nfs/dbraw/zinc/76/88/49/658768849.db2.gz KBNBIPROOHMQJQ-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437412 658768852 /nfs/dbraw/zinc/76/88/52/658768852.db2.gz KBNBIPROOHMQJQ-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972437412 658768859 /nfs/dbraw/zinc/76/88/59/658768859.db2.gz KBNBIPROOHMQJQ-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781312 659555606 /nfs/dbraw/zinc/55/56/06/659555606.db2.gz CDMUXYWYCTYLLL-DMRKSPOLSA-N 2 1 301.434 0.931 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781312 659555608 /nfs/dbraw/zinc/55/56/08/659555608.db2.gz CDMUXYWYCTYLLL-DMRKSPOLSA-N 2 1 301.434 0.931 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781312 659555612 /nfs/dbraw/zinc/55/56/12/659555612.db2.gz CDMUXYWYCTYLLL-DMRKSPOLSA-N 2 1 301.434 0.931 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798621 659564601 /nfs/dbraw/zinc/56/46/01/659564601.db2.gz ATDLJUXFLGAFNF-AALSBFMBSA-N 2 1 305.422 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798621 659564604 /nfs/dbraw/zinc/56/46/04/659564604.db2.gz ATDLJUXFLGAFNF-AALSBFMBSA-N 2 1 305.422 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798621 659564607 /nfs/dbraw/zinc/56/46/07/659564607.db2.gz ATDLJUXFLGAFNF-AALSBFMBSA-N 2 1 305.422 0.472 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000104168500 659614562 /nfs/dbraw/zinc/61/45/62/659614562.db2.gz GZJRVJBNLAMFHG-OAHLLOKOSA-N 3 1 310.490 0.013 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300016 659636192 /nfs/dbraw/zinc/63/61/92/659636192.db2.gz DGIBKXMSAHJIBU-HNNXBMFYSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300016 659636194 /nfs/dbraw/zinc/63/61/94/659636194.db2.gz DGIBKXMSAHJIBU-HNNXBMFYSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1 ZINC000975037678 659770059 /nfs/dbraw/zinc/77/00/59/659770059.db2.gz BOXRMEXWYJEJBL-NFAWXSAZSA-N 2 1 300.406 0.983 20 30 DCEDMP C#CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1 ZINC000975037678 659770064 /nfs/dbraw/zinc/77/00/64/659770064.db2.gz BOXRMEXWYJEJBL-NFAWXSAZSA-N 2 1 300.406 0.983 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028767414 661815394 /nfs/dbraw/zinc/81/53/94/661815394.db2.gz NERFRATVBSPPCY-GJZGRUSLSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028767414 661815395 /nfs/dbraw/zinc/81/53/95/661815395.db2.gz NERFRATVBSPPCY-GJZGRUSLSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028857172 661852870 /nfs/dbraw/zinc/85/28/70/661852870.db2.gz VAQFDHYUGYOVEG-CQSZACIVSA-N 2 1 303.410 0.130 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000901318362 663339900 /nfs/dbraw/zinc/33/99/00/663339900.db2.gz MXWSJDWZWFUMBL-CQSZACIVSA-N 2 1 311.426 0.590 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000901318362 663339903 /nfs/dbraw/zinc/33/99/03/663339903.db2.gz MXWSJDWZWFUMBL-CQSZACIVSA-N 2 1 311.426 0.590 20 30 DCEDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902791088 663434984 /nfs/dbraw/zinc/43/49/84/663434984.db2.gz TUGIVTOWLYTHRD-ZDUSSCGKSA-N 2 1 301.394 0.768 20 30 DCEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345267 665978417 /nfs/dbraw/zinc/97/84/17/665978417.db2.gz QJXPONVKEQYTDW-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913523647 664334990 /nfs/dbraw/zinc/33/49/90/664334990.db2.gz HKPFTNIYPKKGBB-CVEARBPZSA-N 2 1 317.437 0.137 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992493417 664727401 /nfs/dbraw/zinc/72/74/01/664727401.db2.gz HYSVKUGIRRJNHB-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992493417 664727402 /nfs/dbraw/zinc/72/74/02/664727402.db2.gz HYSVKUGIRRJNHB-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992493417 664727403 /nfs/dbraw/zinc/72/74/03/664727403.db2.gz HYSVKUGIRRJNHB-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992493417 664727404 /nfs/dbraw/zinc/72/74/04/664727404.db2.gz HYSVKUGIRRJNHB-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941459843 666000228 /nfs/dbraw/zinc/00/02/28/666000228.db2.gz HFKZFBLOSVVZLB-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941459843 666000229 /nfs/dbraw/zinc/00/02/29/666000229.db2.gz HFKZFBLOSVVZLB-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000941489625 666007824 /nfs/dbraw/zinc/00/78/24/666007824.db2.gz LAYFIOBEBGFIHJ-UHFFFAOYSA-N 2 1 317.437 0.596 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566313 666023981 /nfs/dbraw/zinc/02/39/81/666023981.db2.gz BFBANEGZRBDLSE-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083967 666497600 /nfs/dbraw/zinc/49/76/00/666497600.db2.gz CYXTUTCBXXLDCM-AWEZNQCLSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004378463 666527316 /nfs/dbraw/zinc/52/73/16/666527316.db2.gz GDLGSQSYGTXKKD-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004378463 666527318 /nfs/dbraw/zinc/52/73/18/666527318.db2.gz GDLGSQSYGTXKKD-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004378463 666527319 /nfs/dbraw/zinc/52/73/19/666527319.db2.gz GDLGSQSYGTXKKD-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004378463 666527320 /nfs/dbraw/zinc/52/73/20/666527320.db2.gz GDLGSQSYGTXKKD-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278132 666659189 /nfs/dbraw/zinc/65/91/89/666659189.db2.gz MDNIVWLPLMVGHN-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278132 666659190 /nfs/dbraw/zinc/65/91/90/666659190.db2.gz MDNIVWLPLMVGHN-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278132 666659191 /nfs/dbraw/zinc/65/91/91/666659191.db2.gz MDNIVWLPLMVGHN-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033986282 666883699 /nfs/dbraw/zinc/88/36/99/666883699.db2.gz OBKBERHJOLJLDV-INIZCTEOSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033986282 666883702 /nfs/dbraw/zinc/88/37/02/666883702.db2.gz OBKBERHJOLJLDV-INIZCTEOSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000996937117 667026567 /nfs/dbraw/zinc/02/65/67/667026567.db2.gz VMIRGPZPBRQMSB-AWEZNQCLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC=C)CCO2)CC1 ZINC001035615463 667393456 /nfs/dbraw/zinc/39/34/56/667393456.db2.gz WPDKXEUNRRBRAT-QGZVFWFLSA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC=C)CCO2)CC1 ZINC001035615463 667393457 /nfs/dbraw/zinc/39/34/57/667393457.db2.gz WPDKXEUNRRBRAT-QGZVFWFLSA-N 2 1 319.449 0.725 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC001035712696 667402836 /nfs/dbraw/zinc/40/28/36/667402836.db2.gz KOWZSIIALPNQEH-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000884160489 667486976 /nfs/dbraw/zinc/48/69/76/667486976.db2.gz FNSMXZBLSVGPTG-JKSUJKDBSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000884160489 667486978 /nfs/dbraw/zinc/48/69/78/667486978.db2.gz FNSMXZBLSVGPTG-JKSUJKDBSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000884160489 667486980 /nfs/dbraw/zinc/48/69/80/667486980.db2.gz FNSMXZBLSVGPTG-JKSUJKDBSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000884160489 667486983 /nfs/dbraw/zinc/48/69/83/667486983.db2.gz FNSMXZBLSVGPTG-JKSUJKDBSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000884160487 667487064 /nfs/dbraw/zinc/48/70/64/667487064.db2.gz FNSMXZBLSVGPTG-HOTGVXAUSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000884160487 667487065 /nfs/dbraw/zinc/48/70/65/667487065.db2.gz FNSMXZBLSVGPTG-HOTGVXAUSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000884160487 667487067 /nfs/dbraw/zinc/48/70/67/667487067.db2.gz FNSMXZBLSVGPTG-HOTGVXAUSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000884160487 667487070 /nfs/dbraw/zinc/48/70/70/667487070.db2.gz FNSMXZBLSVGPTG-HOTGVXAUSA-N 2 1 322.453 0.494 20 30 DCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000884213028 667500365 /nfs/dbraw/zinc/50/03/65/667500365.db2.gz RUQLJGLTJGXACQ-GWUWNPHMSA-N 2 1 302.422 0.726 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000884213029 667500714 /nfs/dbraw/zinc/50/07/14/667500714.db2.gz RUQLJGLTJGXACQ-GYMHETDLSA-N 2 1 302.422 0.726 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946894851 667519549 /nfs/dbraw/zinc/51/95/49/667519549.db2.gz KOZIWCWMZNGUAC-IYBDPMFKSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946894851 667519551 /nfs/dbraw/zinc/51/95/51/667519551.db2.gz KOZIWCWMZNGUAC-IYBDPMFKSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)CN2CCOCC2)C1 ZINC000923557632 667563447 /nfs/dbraw/zinc/56/34/47/667563447.db2.gz MCFYUPAWYDBIJH-STTHAQSSSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889775208 667996021 /nfs/dbraw/zinc/99/60/21/667996021.db2.gz UNMIXIAMIYIFNA-SJORKVTESA-N 2 1 319.449 0.389 20 30 DCEDMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NCCC#N)CC2)CC1 ZINC000755236588 668058119 /nfs/dbraw/zinc/05/81/19/668058119.db2.gz PHBJIDBTRFLSPE-UHFFFAOYSA-N 2 1 321.469 0.366 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000762615224 668369831 /nfs/dbraw/zinc/36/98/31/668369831.db2.gz SCPMQMFWUQNTAM-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000762615224 668369834 /nfs/dbraw/zinc/36/98/34/668369834.db2.gz SCPMQMFWUQNTAM-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000762615224 668369836 /nfs/dbraw/zinc/36/98/36/668369836.db2.gz SCPMQMFWUQNTAM-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000762615224 668369840 /nfs/dbraw/zinc/36/98/40/668369840.db2.gz SCPMQMFWUQNTAM-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926153185 668379795 /nfs/dbraw/zinc/37/97/95/668379795.db2.gz MROBEAYWCTYFLZ-ANQUJSFKSA-N 2 1 309.454 0.700 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000876715846 668493891 /nfs/dbraw/zinc/49/38/91/668493891.db2.gz BOQIAUIDFHXJEX-CHWSQXEVSA-N 2 1 303.834 0.929 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948268942 670091517 /nfs/dbraw/zinc/09/15/17/670091517.db2.gz HVGKDGUCXFISSA-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948268942 670091521 /nfs/dbraw/zinc/09/15/21/670091521.db2.gz HVGKDGUCXFISSA-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948268942 670091527 /nfs/dbraw/zinc/09/15/27/670091527.db2.gz HVGKDGUCXFISSA-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948268942 670091531 /nfs/dbraw/zinc/09/15/31/670091531.db2.gz HVGKDGUCXFISSA-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000816750769 670857640 /nfs/dbraw/zinc/85/76/40/670857640.db2.gz RNSFVILNVZXJCK-SJORKVTESA-N 2 1 319.449 0.653 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)NC)cc1 ZINC000303882681 685207977 /nfs/dbraw/zinc/20/79/77/685207977.db2.gz IHDNDNNPWKVTMU-OAHLLOKOSA-N 2 1 317.437 0.935 20 30 DCEDMP C[NH+]1CCC(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303893162 685208428 /nfs/dbraw/zinc/20/84/28/685208428.db2.gz RSKMPOZQGNZICB-UHFFFAOYSA-N 3 1 311.474 0.345 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1Cc2ccccc2O1 ZINC000303902341 685208478 /nfs/dbraw/zinc/20/84/78/685208478.db2.gz TVWVLKKQVIOHAP-OAHLLOKOSA-N 2 1 318.421 0.617 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303881355 685208586 /nfs/dbraw/zinc/20/85/86/685208586.db2.gz KVCLVIOTZNQSDE-JKSUJKDBSA-N 3 1 324.517 0.259 20 30 DCEDMP CO[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)(C)C ZINC000304684178 685210821 /nfs/dbraw/zinc/21/08/21/685210821.db2.gz PMWVAGZDZMRHOC-ZDUSSCGKSA-N 2 1 300.447 0.674 20 30 DCEDMP CO[C@@]1(C)C[C@@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C1(C)C ZINC000304774490 685212099 /nfs/dbraw/zinc/21/20/99/685212099.db2.gz BXRBAPXAPMELHU-CJNGLKHVSA-N 2 1 312.458 0.817 20 30 DCEDMP C[N@@H+](CCNC(=[NH2+])NCCCN1CCOCC1)C1CCCC1 ZINC000304762814 685212269 /nfs/dbraw/zinc/21/22/69/685212269.db2.gz WAEXEFAFQOSVPD-UHFFFAOYSA-N 2 1 311.474 0.487 20 30 DCEDMP C[N@H+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CCCC1 ZINC000304762814 685212272 /nfs/dbraw/zinc/21/22/72/685212272.db2.gz WAEXEFAFQOSVPD-UHFFFAOYSA-N 3 1 311.474 0.487 20 30 DCEDMP C[N@@H+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CCCC1 ZINC000304762814 685212279 /nfs/dbraw/zinc/21/22/79/685212279.db2.gz WAEXEFAFQOSVPD-UHFFFAOYSA-N 3 1 311.474 0.487 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958176444 687407560 /nfs/dbraw/zinc/40/75/60/687407560.db2.gz SYZJUAXLZBEQDW-HZPDHXFCSA-N 2 1 321.465 0.847 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038535014 694109515 /nfs/dbraw/zinc/10/95/15/694109515.db2.gz JTFJOZLVLUTYFY-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038535014 694109518 /nfs/dbraw/zinc/10/95/18/694109518.db2.gz JTFJOZLVLUTYFY-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038535014 694109522 /nfs/dbraw/zinc/10/95/22/694109522.db2.gz JTFJOZLVLUTYFY-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000958199278 687428160 /nfs/dbraw/zinc/42/81/60/687428160.db2.gz GLKXRSUJSOEFSH-CJNGLKHVSA-N 2 1 314.389 0.851 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(C)C)C[C@H]2O)CC1 ZINC000958723223 687875607 /nfs/dbraw/zinc/87/56/07/687875607.db2.gz DPPBRMGCJYPISC-DLBZAZTESA-N 2 1 321.465 0.397 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCC)C[C@@H]2O)CC1 ZINC000958724578 687877644 /nfs/dbraw/zinc/87/76/44/687877644.db2.gz QHCZXVXILMLHGD-SJORKVTESA-N 2 1 321.465 0.541 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961353751 688599323 /nfs/dbraw/zinc/59/93/23/688599323.db2.gz CFVOEFUGHJVZMH-HZMVEIRTSA-N 2 1 301.434 0.931 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961772687 688728571 /nfs/dbraw/zinc/72/85/71/688728571.db2.gz RPUUAFAILGJJRH-SIXLDLHFSA-N 2 1 312.417 0.824 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961772687 688728572 /nfs/dbraw/zinc/72/85/72/688728572.db2.gz RPUUAFAILGJJRH-SIXLDLHFSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000963830080 689101711 /nfs/dbraw/zinc/10/17/11/689101711.db2.gz IDALVDRTPYWYMR-YZWRWTPUSA-N 2 1 317.433 0.500 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000968954385 690433946 /nfs/dbraw/zinc/43/39/46/690433946.db2.gz JCYGMGAJWSKODH-IKGGRYGDSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000968954385 690433949 /nfs/dbraw/zinc/43/39/49/690433949.db2.gz JCYGMGAJWSKODH-IKGGRYGDSA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322176 692262968 /nfs/dbraw/zinc/26/29/68/692262968.db2.gz ASEIBMLGLCKLMY-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015322176 692262973 /nfs/dbraw/zinc/26/29/73/692262973.db2.gz ASEIBMLGLCKLMY-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015322176 692262979 /nfs/dbraw/zinc/26/29/79/692262979.db2.gz ASEIBMLGLCKLMY-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322985 692263402 /nfs/dbraw/zinc/26/34/02/692263402.db2.gz GLBHDFVLEKVBOB-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015322985 692263404 /nfs/dbraw/zinc/26/34/04/692263404.db2.gz GLBHDFVLEKVBOB-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015322985 692263410 /nfs/dbraw/zinc/26/34/10/692263410.db2.gz GLBHDFVLEKVBOB-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433816 694726733 /nfs/dbraw/zinc/72/67/33/694726733.db2.gz OXBOICWHONZRIE-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073614072 694752358 /nfs/dbraw/zinc/75/23/58/694752358.db2.gz RKAAHNYLPDETFA-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073614072 694752359 /nfs/dbraw/zinc/75/23/59/694752359.db2.gz RKAAHNYLPDETFA-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073614072 694752360 /nfs/dbraw/zinc/75/23/60/694752360.db2.gz RKAAHNYLPDETFA-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760845 694661310 /nfs/dbraw/zinc/66/13/10/694661310.db2.gz QQJLZDULSNNPCZ-GJZGRUSLSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760845 694661311 /nfs/dbraw/zinc/66/13/11/694661311.db2.gz QQJLZDULSNNPCZ-GJZGRUSLSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760845 694661312 /nfs/dbraw/zinc/66/13/12/694661312.db2.gz QQJLZDULSNNPCZ-GJZGRUSLSA-N 2 1 305.422 0.570 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677268 694765925 /nfs/dbraw/zinc/76/59/25/694765925.db2.gz BWNWFGBGTAQHFC-OAHLLOKOSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677268 694765926 /nfs/dbraw/zinc/76/59/26/694765926.db2.gz BWNWFGBGTAQHFC-OAHLLOKOSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073745637 694776211 /nfs/dbraw/zinc/77/62/11/694776211.db2.gz DCLMOOBOICMHCV-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073745637 694776212 /nfs/dbraw/zinc/77/62/12/694776212.db2.gz DCLMOOBOICMHCV-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073745637 694776214 /nfs/dbraw/zinc/77/62/14/694776214.db2.gz DCLMOOBOICMHCV-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001691743414 1159027247 /nfs/dbraw/zinc/02/72/47/1159027247.db2.gz GUBLICDYLZFRDW-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001571588659 1162831647 /nfs/dbraw/zinc/83/16/47/1162831647.db2.gz HQUVKJNCTWEHHO-ZFWWWQNUSA-N 2 1 306.410 0.349 20 30 DCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001571606619 1162858439 /nfs/dbraw/zinc/85/84/39/1162858439.db2.gz RLDVGEJEWKBBDE-ZBFHGGJFSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001571606619 1162858447 /nfs/dbraw/zinc/85/84/47/1162858447.db2.gz RLDVGEJEWKBBDE-ZBFHGGJFSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cnn(C)c1 ZINC001691286061 1157630887 /nfs/dbraw/zinc/63/08/87/1157630887.db2.gz NDQFZCANSCUJTG-JKSUJKDBSA-N 2 1 319.453 0.832 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001571695055 1162909249 /nfs/dbraw/zinc/90/92/49/1162909249.db2.gz BCGKLQBQEAIPSB-HNNXBMFYSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001571695055 1162909256 /nfs/dbraw/zinc/90/92/56/1162909256.db2.gz BCGKLQBQEAIPSB-HNNXBMFYSA-N 2 1 322.453 0.377 20 30 DCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755498136 1158151501 /nfs/dbraw/zinc/15/15/01/1158151501.db2.gz GHAVXFJIOQGVND-BZUAXINKSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691528986 1158216881 /nfs/dbraw/zinc/21/68/81/1158216881.db2.gz VMOSFHFYCBBGMD-SJORKVTESA-N 2 1 319.449 0.247 20 30 DCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001263931798 1159145882 /nfs/dbraw/zinc/14/58/82/1159145882.db2.gz JRBIKAKHKXYQKB-ARFHVFGLSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001566953262 1160193319 /nfs/dbraw/zinc/19/33/19/1160193319.db2.gz VXSYFLVILSEPHV-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001567202754 1160273346 /nfs/dbraw/zinc/27/33/46/1160273346.db2.gz KCCIGUJFBLKQTJ-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)Cn2c[nH+]cc2C)C1=O ZINC001567532231 1160410801 /nfs/dbraw/zinc/41/08/01/1160410801.db2.gz SNLXRIMFCMLOHK-CQSZACIVSA-N 2 1 319.409 0.026 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCC)C2)CC1 ZINC001567884531 1160515749 /nfs/dbraw/zinc/51/57/49/1160515749.db2.gz RBCLGTRSHPLKKI-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001568369729 1160637461 /nfs/dbraw/zinc/63/74/61/1160637461.db2.gz VLIUOBKVVACTBI-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001568538159 1160672699 /nfs/dbraw/zinc/67/26/99/1160672699.db2.gz WUWWBGNUVAKLKZ-IRXDYDNUSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569748779 1161220831 /nfs/dbraw/zinc/22/08/31/1161220831.db2.gz IUTZNOFJSONBEF-HIFRSBDPSA-N 2 1 301.406 0.405 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001569901476 1161308808 /nfs/dbraw/zinc/30/88/08/1161308808.db2.gz LNSSBSNOOJJYLH-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001569901476 1161308811 /nfs/dbraw/zinc/30/88/11/1161308811.db2.gz LNSSBSNOOJJYLH-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001646794147 1172536245 /nfs/dbraw/zinc/53/62/45/1172536245.db2.gz BUBABZMXICYNQI-IINYFYTJSA-N 2 1 309.801 0.453 20 30 DCEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001650157129 1173486995 /nfs/dbraw/zinc/48/69/95/1173486995.db2.gz DHUYDLSTOWESFV-NVXWUHKLSA-N 2 1 319.405 0.149 20 30 DCEDMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001650157129 1173487001 /nfs/dbraw/zinc/48/70/01/1173487001.db2.gz DHUYDLSTOWESFV-NVXWUHKLSA-N 2 1 319.405 0.149 20 30 DCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(c2[nH+]ccn2C)CC1 ZINC001650167624 1173494586 /nfs/dbraw/zinc/49/45/86/1173494586.db2.gz LAFULSJXBUQHGV-HNNXBMFYSA-N 2 1 320.441 0.185 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001663599513 1174329334 /nfs/dbraw/zinc/32/93/34/1174329334.db2.gz WSXQFOZRHXFFKH-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCOC)C2)CC1 ZINC001665597213 1174534037 /nfs/dbraw/zinc/53/40/37/1174534037.db2.gz SVNLJGCPCWLVDL-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001667836928 1174721461 /nfs/dbraw/zinc/72/14/61/1174721461.db2.gz KSBQWAWMLHQYJV-HZPDHXFCSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCOC1CCC1 ZINC001669320889 1174919112 /nfs/dbraw/zinc/91/91/12/1174919112.db2.gz TWFWHTWETZSNKG-ZBFHGGJFSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCOC1CCC1 ZINC001669320889 1174919117 /nfs/dbraw/zinc/91/91/17/1174919117.db2.gz TWFWHTWETZSNKG-ZBFHGGJFSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H](OC)C1CCC1 ZINC001669584012 1174936954 /nfs/dbraw/zinc/93/69/54/1174936954.db2.gz GGAZOIQPGBHUBN-XIRDDKMYSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H](OC)C1CCC1 ZINC001669584012 1174936960 /nfs/dbraw/zinc/93/69/60/1174936960.db2.gz GGAZOIQPGBHUBN-XIRDDKMYSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001671694693 1175031961 /nfs/dbraw/zinc/03/19/61/1175031961.db2.gz VYYGPFKISVHOAL-PBHICJAKSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001671694693 1175031972 /nfs/dbraw/zinc/03/19/72/1175031972.db2.gz VYYGPFKISVHOAL-PBHICJAKSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671694693 1175031980 /nfs/dbraw/zinc/03/19/80/1175031980.db2.gz VYYGPFKISVHOAL-PBHICJAKSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671694693 1175031987 /nfs/dbraw/zinc/03/19/87/1175031987.db2.gz VYYGPFKISVHOAL-PBHICJAKSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001671999378 1175060085 /nfs/dbraw/zinc/06/00/85/1175060085.db2.gz XBDKXINAFJNXHH-RDJZCZTQSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001671999378 1175060089 /nfs/dbraw/zinc/06/00/89/1175060089.db2.gz XBDKXINAFJNXHH-RDJZCZTQSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001671999378 1175060092 /nfs/dbraw/zinc/06/00/92/1175060092.db2.gz XBDKXINAFJNXHH-RDJZCZTQSA-N 2 1 307.438 0.436 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001672217071 1175089767 /nfs/dbraw/zinc/08/97/67/1175089767.db2.gz XUYFKXZGNKKVFW-HOTGVXAUSA-N 2 1 318.421 0.668 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC001673342487 1175193282 /nfs/dbraw/zinc/19/32/82/1175193282.db2.gz MQKVRHLQOZMZDB-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001673342487 1175193285 /nfs/dbraw/zinc/19/32/85/1175193285.db2.gz MQKVRHLQOZMZDB-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001673671350 1175220978 /nfs/dbraw/zinc/22/09/78/1175220978.db2.gz LCPOZPYBKZVJIG-INMHGKMJSA-N 2 1 307.438 0.293 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001676272859 1175434018 /nfs/dbraw/zinc/43/40/18/1175434018.db2.gz DWHGGPXESPAMIR-CVEARBPZSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1OCC ZINC001691759193 1175733823 /nfs/dbraw/zinc/73/38/23/1175733823.db2.gz HDOAOXDMMIQUMS-HUUCEWRRSA-N 2 1 304.394 0.278 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001689019511 1176676658 /nfs/dbraw/zinc/67/66/58/1176676658.db2.gz WVLCYJRGWKNGDH-RRFJBIMHSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001689197891 1176735306 /nfs/dbraw/zinc/73/53/06/1176735306.db2.gz ICXRESWWIPRBEG-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001689197891 1176735310 /nfs/dbraw/zinc/73/53/10/1176735310.db2.gz ICXRESWWIPRBEG-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1CC ZINC001689197891 1176735312 /nfs/dbraw/zinc/73/53/12/1176735312.db2.gz ICXRESWWIPRBEG-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1CC ZINC001689197891 1176735317 /nfs/dbraw/zinc/73/53/17/1176735317.db2.gz ICXRESWWIPRBEG-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001691984523 1177397732 /nfs/dbraw/zinc/39/77/32/1177397732.db2.gz JMUOOYZZOCOXJW-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001691984523 1177397744 /nfs/dbraw/zinc/39/77/44/1177397744.db2.gz JMUOOYZZOCOXJW-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP CC#CC[N@H+](C)CCOCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001692097525 1177415299 /nfs/dbraw/zinc/41/52/99/1177415299.db2.gz OCLPRKLXDANBNX-UHFFFAOYSA-N 2 1 306.410 0.622 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001692097525 1177415303 /nfs/dbraw/zinc/41/53/03/1177415303.db2.gz OCLPRKLXDANBNX-UHFFFAOYSA-N 2 1 306.410 0.622 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001699878919 1178326826 /nfs/dbraw/zinc/32/68/26/1178326826.db2.gz DXPOZRXNMBSYQE-SJLPKXTDSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(CC2CCCC2)C1 ZINC001699916416 1178375183 /nfs/dbraw/zinc/37/51/83/1178375183.db2.gz SCXQFJHCCUIEKM-INIZCTEOSA-N 2 1 319.449 0.437 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001700027967 1178445031 /nfs/dbraw/zinc/44/50/31/1178445031.db2.gz RPPWJDIVXIQCIO-QGZVFWFLSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001700296345 1178569899 /nfs/dbraw/zinc/56/98/99/1178569899.db2.gz NEBBWNYUFVIXKU-UHFFFAOYSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001700753038 1178731719 /nfs/dbraw/zinc/73/17/19/1178731719.db2.gz SIGSJDNTJOCSSU-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001700960196 1178835874 /nfs/dbraw/zinc/83/58/74/1178835874.db2.gz GBUBPXFSOHGQJU-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001700960196 1178835883 /nfs/dbraw/zinc/83/58/83/1178835883.db2.gz GBUBPXFSOHGQJU-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001700960196 1178835886 /nfs/dbraw/zinc/83/58/86/1178835886.db2.gz GBUBPXFSOHGQJU-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001700960196 1178835896 /nfs/dbraw/zinc/83/58/96/1178835896.db2.gz GBUBPXFSOHGQJU-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001701060065 1178910523 /nfs/dbraw/zinc/91/05/23/1178910523.db2.gz MWMLSQYHSAHFCI-UHFFFAOYSA-N 2 1 319.449 0.869 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001707224154 1180439842 /nfs/dbraw/zinc/43/98/42/1180439842.db2.gz OVPMGOGZUVOWPG-IKGGRYGDSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001707224154 1180439846 /nfs/dbraw/zinc/43/98/46/1180439846.db2.gz OVPMGOGZUVOWPG-IKGGRYGDSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001707224154 1180439850 /nfs/dbraw/zinc/43/98/50/1180439850.db2.gz OVPMGOGZUVOWPG-IKGGRYGDSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001713383680 1180792231 /nfs/dbraw/zinc/79/22/31/1180792231.db2.gz CNCHOSHDIZWQQE-QGZVFWFLSA-N 2 1 317.433 0.952 20 30 DCEDMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001713383680 1180792233 /nfs/dbraw/zinc/79/22/33/1180792233.db2.gz CNCHOSHDIZWQQE-QGZVFWFLSA-N 2 1 317.433 0.952 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001713469570 1180849974 /nfs/dbraw/zinc/84/99/74/1180849974.db2.gz QSUFYXOUODRBQI-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001713469570 1180849983 /nfs/dbraw/zinc/84/99/83/1180849983.db2.gz QSUFYXOUODRBQI-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001713564791 1180924292 /nfs/dbraw/zinc/92/42/92/1180924292.db2.gz LAUIJOCNTDKKMP-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001713564791 1180924297 /nfs/dbraw/zinc/92/42/97/1180924297.db2.gz LAUIJOCNTDKKMP-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001713564791 1180924303 /nfs/dbraw/zinc/92/43/03/1180924303.db2.gz LAUIJOCNTDKKMP-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001713740423 1181036567 /nfs/dbraw/zinc/03/65/67/1181036567.db2.gz SKNFJPZJHMWQRI-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001713740423 1181036578 /nfs/dbraw/zinc/03/65/78/1181036578.db2.gz SKNFJPZJHMWQRI-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713744915 1181039936 /nfs/dbraw/zinc/03/99/36/1181039936.db2.gz MZYIXSRQBVFNRC-QGZVFWFLSA-N 2 1 322.497 0.980 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713744914 1181041074 /nfs/dbraw/zinc/04/10/74/1181041074.db2.gz MZYIXSRQBVFNRC-KRWDZBQOSA-N 2 1 322.497 0.980 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714117758 1181252534 /nfs/dbraw/zinc/25/25/34/1181252534.db2.gz CRQQFJNUKSWAGP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714117758 1181252537 /nfs/dbraw/zinc/25/25/37/1181252537.db2.gz CRQQFJNUKSWAGP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714117758 1181252551 /nfs/dbraw/zinc/25/25/51/1181252551.db2.gz CRQQFJNUKSWAGP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714117758 1181252554 /nfs/dbraw/zinc/25/25/54/1181252554.db2.gz CRQQFJNUKSWAGP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CCOC ZINC001714399570 1181350557 /nfs/dbraw/zinc/35/05/57/1181350557.db2.gz JAHGLJLNXIOFMY-HOTGVXAUSA-N 2 1 305.422 0.076 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CCOC ZINC001714399570 1181350563 /nfs/dbraw/zinc/35/05/63/1181350563.db2.gz JAHGLJLNXIOFMY-HOTGVXAUSA-N 2 1 305.422 0.076 20 30 DCEDMP C#CCC[N@H+](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001714560951 1181417153 /nfs/dbraw/zinc/41/71/53/1181417153.db2.gz WCFQYYIBCNDJMF-UHFFFAOYSA-N 2 1 304.394 0.955 20 30 DCEDMP C#CCC[N@@H+](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001714560951 1181417157 /nfs/dbraw/zinc/41/71/57/1181417157.db2.gz WCFQYYIBCNDJMF-UHFFFAOYSA-N 2 1 304.394 0.955 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714610991 1181439209 /nfs/dbraw/zinc/43/92/09/1181439209.db2.gz VPHVZARVOOEKQA-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCCOC)C1 ZINC001714635690 1181454303 /nfs/dbraw/zinc/45/43/03/1181454303.db2.gz PWQSJCZLCCXASI-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCCOC)C1 ZINC001714635690 1181454305 /nfs/dbraw/zinc/45/43/05/1181454305.db2.gz PWQSJCZLCCXASI-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCCOC)C1 ZINC001714635690 1181454307 /nfs/dbraw/zinc/45/43/07/1181454307.db2.gz PWQSJCZLCCXASI-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCCOC)C1 ZINC001714635690 1181454312 /nfs/dbraw/zinc/45/43/12/1181454312.db2.gz PWQSJCZLCCXASI-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001714666265 1181468748 /nfs/dbraw/zinc/46/87/48/1181468748.db2.gz AGXFDDDZOWZQEJ-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001715128172 1181696222 /nfs/dbraw/zinc/69/62/22/1181696222.db2.gz WBFSLXXFQFUOMF-YOEHRIQHSA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001715179496 1181709133 /nfs/dbraw/zinc/70/91/33/1181709133.db2.gz TYSQWAPEMRGLLC-KRWDZBQOSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001715953188 1182117128 /nfs/dbraw/zinc/11/71/28/1182117128.db2.gz KCFSOSUIFXIPPF-CVEARBPZSA-N 2 1 309.454 0.993 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001716874575 1182555270 /nfs/dbraw/zinc/55/52/70/1182555270.db2.gz MGJXRXMGSPDRPV-AEFFLSMTSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C[C@@H](C)O)CC1 ZINC001716885556 1182557334 /nfs/dbraw/zinc/55/73/34/1182557334.db2.gz VRZCAROUXFOLCJ-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C[C@@H](C)O)CC1 ZINC001716885556 1182557338 /nfs/dbraw/zinc/55/73/38/1182557338.db2.gz VRZCAROUXFOLCJ-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001717103093 1182677644 /nfs/dbraw/zinc/67/76/44/1182677644.db2.gz UUQDWVCCPDXIHI-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001717109824 1182680398 /nfs/dbraw/zinc/68/03/98/1182680398.db2.gz MVXDJYGZAGQYIM-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CCC[NH+](C)C)O2 ZINC001717223873 1182738722 /nfs/dbraw/zinc/73/87/22/1182738722.db2.gz ACPALHVCHJUQKG-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC(C)([NH2+]CC#CCOC)CC1 ZINC001717303862 1182772336 /nfs/dbraw/zinc/77/23/36/1182772336.db2.gz HXTRDILBPXUAGU-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001717313856 1182776079 /nfs/dbraw/zinc/77/60/79/1182776079.db2.gz HYLCYSDEBNVUKL-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCOC ZINC001717454390 1182838349 /nfs/dbraw/zinc/83/83/49/1182838349.db2.gz ZMRTVOILCVAJLP-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCOC ZINC001717454390 1182838354 /nfs/dbraw/zinc/83/83/54/1182838354.db2.gz ZMRTVOILCVAJLP-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[C@H](C(=O)N[C@H]1C[N@H+](CC#CCOC)CC1(C)C)[NH+](C)C ZINC001717582662 1182910406 /nfs/dbraw/zinc/91/04/06/1182910406.db2.gz NQAWIQMCNCVTFQ-CABCVRRESA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@H](C(=O)N[C@H]1C[N@@H+](CC#CCOC)CC1(C)C)[NH+](C)C ZINC001717582662 1182910409 /nfs/dbraw/zinc/91/04/09/1182910409.db2.gz NQAWIQMCNCVTFQ-CABCVRRESA-N 2 1 309.454 0.803 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#CCOC)[C@@H]1C ZINC001717861089 1183036262 /nfs/dbraw/zinc/03/62/62/1183036262.db2.gz SYSNTIZCZZGFPD-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#CCOC)[C@@H]1C ZINC001717861089 1183036267 /nfs/dbraw/zinc/03/62/67/1183036267.db2.gz SYSNTIZCZZGFPD-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC#CCOC)[C@@H]1C ZINC001717861089 1183036269 /nfs/dbraw/zinc/03/62/69/1183036269.db2.gz SYSNTIZCZZGFPD-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)[C@@H]1C ZINC001717861089 1183036276 /nfs/dbraw/zinc/03/62/76/1183036276.db2.gz SYSNTIZCZZGFPD-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP Cc1ccccc1NC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912742 1183695635 /nfs/dbraw/zinc/69/56/35/1183695635.db2.gz DZGUXFIAVOYYHL-UHFFFAOYSA-N 2 1 303.410 0.886 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001722918065 1184232546 /nfs/dbraw/zinc/23/25/46/1184232546.db2.gz ZZBDIGUNJOGTEY-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001724173771 1184396004 /nfs/dbraw/zinc/39/60/04/1184396004.db2.gz MGIAODCDXKIUAP-YOEHRIQHSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC#C)CC1 ZINC001724293674 1184407217 /nfs/dbraw/zinc/40/72/17/1184407217.db2.gz CEYBCQHFVAHBML-INIZCTEOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC#C)CC1 ZINC001724293674 1184407220 /nfs/dbraw/zinc/40/72/20/1184407220.db2.gz CEYBCQHFVAHBML-INIZCTEOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@H+](C(C)C)C2)CC1 ZINC001724640187 1184491035 /nfs/dbraw/zinc/49/10/35/1184491035.db2.gz CWPCPNFMMAHSNM-GOSISDBHSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001724683473 1184518262 /nfs/dbraw/zinc/51/82/62/1184518262.db2.gz DGHKUYYDUMSMMQ-INIZCTEOSA-N 2 1 303.406 0.333 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001724841984 1184587659 /nfs/dbraw/zinc/58/76/59/1184587659.db2.gz GLHKEWAMTOOJSY-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001725320045 1184767175 /nfs/dbraw/zinc/76/71/75/1184767175.db2.gz BAXITBASARNWJY-GOEBONIOSA-N 2 1 318.421 0.810 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001731357932 1185290601 /nfs/dbraw/zinc/29/06/01/1185290601.db2.gz OXMPILHQOFBMJS-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001731700197 1185448449 /nfs/dbraw/zinc/44/84/49/1185448449.db2.gz QICXEQVPZREEKC-LSDHHAIUSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001731703348 1185449724 /nfs/dbraw/zinc/44/97/24/1185449724.db2.gz FSRKJKXZTHEGFN-QGZVFWFLSA-N 2 1 315.417 0.399 20 30 DCEDMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001731703348 1185449727 /nfs/dbraw/zinc/44/97/27/1185449727.db2.gz FSRKJKXZTHEGFN-QGZVFWFLSA-N 2 1 315.417 0.399 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001731829740 1185511339 /nfs/dbraw/zinc/51/13/39/1185511339.db2.gz CEXRGGHPIBCRQN-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001731829740 1185511347 /nfs/dbraw/zinc/51/13/47/1185511347.db2.gz CEXRGGHPIBCRQN-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001732042512 1185642370 /nfs/dbraw/zinc/64/23/70/1185642370.db2.gz BCZWGTMBADFMHW-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732042512 1185642374 /nfs/dbraw/zinc/64/23/74/1185642374.db2.gz BCZWGTMBADFMHW-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732042512 1185642378 /nfs/dbraw/zinc/64/23/78/1185642378.db2.gz BCZWGTMBADFMHW-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001732078277 1185662330 /nfs/dbraw/zinc/66/23/30/1185662330.db2.gz PNABHDLVYFNXPH-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732399236 1185799249 /nfs/dbraw/zinc/79/92/49/1185799249.db2.gz ZIDZXNZTKNINTP-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732996540 1186096100 /nfs/dbraw/zinc/09/61/00/1186096100.db2.gz LXGRHCNCNMYCTA-KBPBESRZSA-N 2 1 310.442 0.256 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001733279836 1186209986 /nfs/dbraw/zinc/20/99/86/1186209986.db2.gz DGFRUFJUWORJOH-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CCCO)CC1 ZINC001733373773 1186244943 /nfs/dbraw/zinc/24/49/43/1186244943.db2.gz JHBYYSDHEDWZEW-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001733764630 1186438340 /nfs/dbraw/zinc/43/83/40/1186438340.db2.gz KLYWIVMVIIBSSS-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001734063655 1186535568 /nfs/dbraw/zinc/53/55/68/1186535568.db2.gz AMULUSBOXPQMEW-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001734063655 1186535569 /nfs/dbraw/zinc/53/55/69/1186535569.db2.gz AMULUSBOXPQMEW-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCOC)C1CC1 ZINC001734296010 1186608804 /nfs/dbraw/zinc/60/88/04/1186608804.db2.gz OOJASTVBBPKHEY-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCOC)C1CC1 ZINC001734296010 1186608807 /nfs/dbraw/zinc/60/88/07/1186608807.db2.gz OOJASTVBBPKHEY-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001734505371 1186667816 /nfs/dbraw/zinc/66/78/16/1186667816.db2.gz TUMNUIYLQSXFAY-UONOGXRCSA-N 2 1 322.453 0.067 20 30 DCEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC ZINC001734581361 1186695315 /nfs/dbraw/zinc/69/53/15/1186695315.db2.gz MOJXMSMGTUNLIS-MRXNPFEDSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001752366122 1188418674 /nfs/dbraw/zinc/41/86/74/1188418674.db2.gz SMYZOCSHQUMQCP-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001752366122 1188418677 /nfs/dbraw/zinc/41/86/77/1188418677.db2.gz SMYZOCSHQUMQCP-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001753025038 1188479003 /nfs/dbraw/zinc/47/90/03/1188479003.db2.gz LYUQEJDARJEEIC-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001753025038 1188479004 /nfs/dbraw/zinc/47/90/04/1188479004.db2.gz LYUQEJDARJEEIC-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001753025038 1188479005 /nfs/dbraw/zinc/47/90/05/1188479005.db2.gz LYUQEJDARJEEIC-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001753025038 1188479007 /nfs/dbraw/zinc/47/90/07/1188479007.db2.gz LYUQEJDARJEEIC-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001753409307 1188586383 /nfs/dbraw/zinc/58/63/83/1188586383.db2.gz NOTLCUZDNZXDHP-ZDUSSCGKSA-N 2 1 322.453 0.067 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nocc1C ZINC001753618942 1188625238 /nfs/dbraw/zinc/62/52/38/1188625238.db2.gz RUDLAIAQYJNGHV-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nocc1C ZINC001753618942 1188625239 /nfs/dbraw/zinc/62/52/39/1188625239.db2.gz RUDLAIAQYJNGHV-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753947023 1188692669 /nfs/dbraw/zinc/69/26/69/1188692669.db2.gz MGFOBFNGSSVCOF-HZPDHXFCSA-N 2 1 305.422 0.932 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnn(C)c1 ZINC001754377391 1188837751 /nfs/dbraw/zinc/83/77/51/1188837751.db2.gz ZGUWABNQAQLRHY-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnn(C)c1 ZINC001754377391 1188837756 /nfs/dbraw/zinc/83/77/56/1188837756.db2.gz ZGUWABNQAQLRHY-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754752863 1188921173 /nfs/dbraw/zinc/92/11/73/1188921173.db2.gz RWMMGIUEJUTAPU-KRWDZBQOSA-N 2 1 307.438 0.601 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001754758759 1188925592 /nfs/dbraw/zinc/92/55/92/1188925592.db2.gz DSJPVBBFOOOAPE-PBHICJAKSA-N 2 1 320.437 0.870 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001754857292 1188951824 /nfs/dbraw/zinc/95/18/24/1188951824.db2.gz DHSZKDWKYOPMSN-BQFCYCMXSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001754857292 1188951828 /nfs/dbraw/zinc/95/18/28/1188951828.db2.gz DHSZKDWKYOPMSN-BQFCYCMXSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001754857292 1188951831 /nfs/dbraw/zinc/95/18/31/1188951831.db2.gz DHSZKDWKYOPMSN-BQFCYCMXSA-N 2 1 321.465 0.683 20 30 DCEDMP CCC1([NH2+]CC#CCOC)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755073528 1189014672 /nfs/dbraw/zinc/01/46/72/1189014672.db2.gz XMZWGIGLFVSAMS-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001755155701 1189039009 /nfs/dbraw/zinc/03/90/09/1189039009.db2.gz FFLALYUQUWAWCV-IYBDPMFKSA-N 2 1 321.465 0.826 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC#CCOC ZINC001755328050 1189082223 /nfs/dbraw/zinc/08/22/23/1189082223.db2.gz NQAHMWIRQLJOLA-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC#CCOC ZINC001755328050 1189082225 /nfs/dbraw/zinc/08/22/25/1189082225.db2.gz NQAHMWIRQLJOLA-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC#CCOC ZINC001755328050 1189082228 /nfs/dbraw/zinc/08/22/28/1189082228.db2.gz NQAHMWIRQLJOLA-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001755441948 1189113965 /nfs/dbraw/zinc/11/39/65/1189113965.db2.gz LVLLAMXSDWKLBN-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001755694239 1189187826 /nfs/dbraw/zinc/18/78/26/1189187826.db2.gz VHENQFYUASCWGR-UKRRQHHQSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001755721582 1189193936 /nfs/dbraw/zinc/19/39/36/1189193936.db2.gz LFINHSHBDZFCKN-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001755721582 1189193937 /nfs/dbraw/zinc/19/39/37/1189193937.db2.gz LFINHSHBDZFCKN-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001098533011 747022867 /nfs/dbraw/zinc/02/28/67/747022867.db2.gz OOTAQJMLYUCSBK-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098533011 747022875 /nfs/dbraw/zinc/02/28/75/747022875.db2.gz OOTAQJMLYUCSBK-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098533011 747022883 /nfs/dbraw/zinc/02/28/83/747022883.db2.gz OOTAQJMLYUCSBK-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098560992 747335977 /nfs/dbraw/zinc/33/59/77/747335977.db2.gz LPSDLTHJOVPLMK-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560992 747335984 /nfs/dbraw/zinc/33/59/84/747335984.db2.gz LPSDLTHJOVPLMK-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560992 747335989 /nfs/dbraw/zinc/33/59/89/747335989.db2.gz LPSDLTHJOVPLMK-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327070 748137135 /nfs/dbraw/zinc/13/71/35/748137135.db2.gz RFMASRTXUSAENM-ZDUSSCGKSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327070 748137140 /nfs/dbraw/zinc/13/71/40/748137140.db2.gz RFMASRTXUSAENM-ZDUSSCGKSA-N 2 1 318.425 0.421 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001088202333 749286827 /nfs/dbraw/zinc/28/68/27/749286827.db2.gz WDJGYXHBALLBBV-CVEARBPZSA-N 2 1 300.406 0.995 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202333 749286832 /nfs/dbraw/zinc/28/68/32/749286832.db2.gz WDJGYXHBALLBBV-CVEARBPZSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208064 749289478 /nfs/dbraw/zinc/28/94/78/749289478.db2.gz JVIKLLCUWVHSAT-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208064 749289482 /nfs/dbraw/zinc/28/94/82/749289482.db2.gz JVIKLLCUWVHSAT-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208064 749289485 /nfs/dbraw/zinc/28/94/85/749289485.db2.gz JVIKLLCUWVHSAT-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208064 749289489 /nfs/dbraw/zinc/28/94/89/749289489.db2.gz JVIKLLCUWVHSAT-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208064 749289492 /nfs/dbraw/zinc/28/94/92/749289492.db2.gz JVIKLLCUWVHSAT-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525073 750097460 /nfs/dbraw/zinc/09/74/60/750097460.db2.gz YANSMKSUPQNZNP-OAGGEKHMSA-N 2 1 305.422 0.188 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077309074 750338549 /nfs/dbraw/zinc/33/85/49/750338549.db2.gz ZSUCRHLNGTVCTP-HUUCEWRRSA-N 2 1 300.362 0.685 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106431317 751146763 /nfs/dbraw/zinc/14/67/63/751146763.db2.gz AYHHZGKPFPXBPY-GDBMZVCRSA-N 2 1 318.421 0.525 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455415 751154009 /nfs/dbraw/zinc/15/40/09/751154009.db2.gz SFBNGPZEQCBNTK-MYPHYYIGSA-N 2 1 319.449 0.720 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444256 753196537 /nfs/dbraw/zinc/19/65/37/753196537.db2.gz FVPOGSGAIWDWQT-HZPDHXFCSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444412 753196741 /nfs/dbraw/zinc/19/67/41/753196741.db2.gz MUXPEXFWYNGVMV-JKSUJKDBSA-N 2 1 319.449 0.844 20 30 DCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326754 753646857 /nfs/dbraw/zinc/64/68/57/753646857.db2.gz UTXVFDUJPPBFGW-INIZCTEOSA-N 2 1 305.426 0.825 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083833338 753962005 /nfs/dbraw/zinc/96/20/05/753962005.db2.gz WECNCRPHPXARKL-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083833338 753962009 /nfs/dbraw/zinc/96/20/09/753962009.db2.gz WECNCRPHPXARKL-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083833338 753962016 /nfs/dbraw/zinc/96/20/16/753962016.db2.gz WECNCRPHPXARKL-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047380968 754229044 /nfs/dbraw/zinc/22/90/44/754229044.db2.gz BZBBEXNJYJNGOB-JYJNAYRXSA-N 2 1 307.438 0.408 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1=O ZINC001128782634 754279191 /nfs/dbraw/zinc/27/91/91/754279191.db2.gz ADIWEILVURAKNJ-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001047527291 754360534 /nfs/dbraw/zinc/36/05/34/754360534.db2.gz BHCZKGMTTRHRGM-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047527291 754360541 /nfs/dbraw/zinc/36/05/41/754360541.db2.gz BHCZKGMTTRHRGM-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047527291 754360544 /nfs/dbraw/zinc/36/05/44/754360544.db2.gz BHCZKGMTTRHRGM-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215863 755187246 /nfs/dbraw/zinc/18/72/46/755187246.db2.gz NSVLTUPCDAVKBV-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828251 755415408 /nfs/dbraw/zinc/41/54/08/755415408.db2.gz OAEDPPFEBSHFHN-IAGOWNOFSA-N 2 1 319.449 0.796 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049902710 755440553 /nfs/dbraw/zinc/44/05/53/755440553.db2.gz CMFFJQGSVIBHEG-XHSDSOJGSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049902710 755440555 /nfs/dbraw/zinc/44/05/55/755440555.db2.gz CMFFJQGSVIBHEG-XHSDSOJGSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902710 755440557 /nfs/dbraw/zinc/44/05/57/755440557.db2.gz CMFFJQGSVIBHEG-XHSDSOJGSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902710 755440559 /nfs/dbraw/zinc/44/05/59/755440559.db2.gz CMFFJQGSVIBHEG-XHSDSOJGSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049904928 755441261 /nfs/dbraw/zinc/44/12/61/755441261.db2.gz TYQAMHVYORTPJR-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049904928 755441264 /nfs/dbraw/zinc/44/12/64/755441264.db2.gz TYQAMHVYORTPJR-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904928 755441268 /nfs/dbraw/zinc/44/12/68/755441268.db2.gz TYQAMHVYORTPJR-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904928 755441272 /nfs/dbraw/zinc/44/12/72/755441272.db2.gz TYQAMHVYORTPJR-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001097323056 755645221 /nfs/dbraw/zinc/64/52/21/755645221.db2.gz QQSKTDNDJCHDGZ-DGXTUMSLSA-N 2 1 305.422 0.450 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001097323056 755645223 /nfs/dbraw/zinc/64/52/23/755645223.db2.gz QQSKTDNDJCHDGZ-DGXTUMSLSA-N 2 1 305.422 0.450 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097323056 755645226 /nfs/dbraw/zinc/64/52/26/755645226.db2.gz QQSKTDNDJCHDGZ-DGXTUMSLSA-N 2 1 305.422 0.450 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097323056 755645227 /nfs/dbraw/zinc/64/52/27/755645227.db2.gz QQSKTDNDJCHDGZ-DGXTUMSLSA-N 2 1 305.422 0.450 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090355714 755666147 /nfs/dbraw/zinc/66/61/47/755666147.db2.gz RHXLGNFZTUYOIO-CVEARBPZSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097707995 755713630 /nfs/dbraw/zinc/71/36/30/755713630.db2.gz STBOVVMVLSFGED-WCXIOVBPSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097707995 755713632 /nfs/dbraw/zinc/71/36/32/755713632.db2.gz STBOVVMVLSFGED-WCXIOVBPSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097707995 755713634 /nfs/dbraw/zinc/71/36/34/755713634.db2.gz STBOVVMVLSFGED-WCXIOVBPSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097707995 755713636 /nfs/dbraw/zinc/71/36/36/755713636.db2.gz STBOVVMVLSFGED-WCXIOVBPSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCOC)CC2)CC1 ZINC001113677688 762464269 /nfs/dbraw/zinc/46/42/69/762464269.db2.gz IWHQLELMZWVWOR-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001082558561 757186642 /nfs/dbraw/zinc/18/66/42/757186642.db2.gz XKXOKAKHLFGPOM-OIISXLGYSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083084008 757483450 /nfs/dbraw/zinc/48/34/50/757483450.db2.gz VSMGXOAKAIXWFA-YESZJQIVSA-N 2 1 317.433 0.263 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084713976 757982683 /nfs/dbraw/zinc/98/26/83/757982683.db2.gz HUVSNCFAEVCVCS-GDBMZVCRSA-N 2 1 317.437 0.777 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052040699 759134537 /nfs/dbraw/zinc/13/45/37/759134537.db2.gz FMVGJRZZXIOUNX-SJORKVTESA-N 2 1 322.497 0.977 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052084349 759167114 /nfs/dbraw/zinc/16/71/14/759167114.db2.gz VQDAZVVJHSPXEF-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052084349 759167121 /nfs/dbraw/zinc/16/71/21/759167121.db2.gz VQDAZVVJHSPXEF-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866269 759404353 /nfs/dbraw/zinc/40/43/53/759404353.db2.gz DFROGVFHQCTHJR-MRXNPFEDSA-N 2 1 317.437 0.614 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100084174 760188943 /nfs/dbraw/zinc/18/89/43/760188943.db2.gz YCIRPECFDXVVEG-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100084174 760188946 /nfs/dbraw/zinc/18/89/46/760188946.db2.gz YCIRPECFDXVVEG-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100084174 760188950 /nfs/dbraw/zinc/18/89/50/760188950.db2.gz YCIRPECFDXVVEG-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344024 760418752 /nfs/dbraw/zinc/41/87/52/760418752.db2.gz GLCBVLXGDJTXTC-MRXNPFEDSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070095011 761082320 /nfs/dbraw/zinc/08/23/20/761082320.db2.gz PTXVNTUTUGNVOH-CABCVRRESA-N 2 1 318.425 0.292 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070095011 761082321 /nfs/dbraw/zinc/08/23/21/761082321.db2.gz PTXVNTUTUGNVOH-CABCVRRESA-N 2 1 318.425 0.292 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158512 761112181 /nfs/dbraw/zinc/11/21/81/761112181.db2.gz NULJVDBQGFLQPN-ILXRZTDVSA-N 2 1 318.425 0.290 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071204033 761703722 /nfs/dbraw/zinc/70/37/22/761703722.db2.gz MCNTVRBEVFUOQS-YJBOKZPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001098898622 762748304 /nfs/dbraw/zinc/74/83/04/762748304.db2.gz JGATXJXWMVNQQY-DLTWYDFYSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001098898622 762748309 /nfs/dbraw/zinc/74/83/09/762748309.db2.gz JGATXJXWMVNQQY-DLTWYDFYSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898622 762748318 /nfs/dbraw/zinc/74/83/18/762748318.db2.gz JGATXJXWMVNQQY-DLTWYDFYSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898622 762748323 /nfs/dbraw/zinc/74/83/23/762748323.db2.gz JGATXJXWMVNQQY-DLTWYDFYSA-N 2 1 307.438 0.862 20 30 DCEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCC[NH+](C)C ZINC001099310883 762861525 /nfs/dbraw/zinc/86/15/25/762861525.db2.gz VDFUYMSIUUEAJT-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001125213056 768375290 /nfs/dbraw/zinc/37/52/90/768375290.db2.gz APTNBYMXTQBGQL-HNNXBMFYSA-N 2 1 302.378 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccnc(OC)c1 ZINC001129775467 763010428 /nfs/dbraw/zinc/01/04/28/763010428.db2.gz PEWHTYQMYLMEQP-HNNXBMFYSA-N 2 1 316.405 0.394 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccnc(OC)c1 ZINC001129775467 763010438 /nfs/dbraw/zinc/01/04/38/763010438.db2.gz PEWHTYQMYLMEQP-HNNXBMFYSA-N 2 1 316.405 0.394 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001125213056 768375298 /nfs/dbraw/zinc/37/52/98/768375298.db2.gz APTNBYMXTQBGQL-HNNXBMFYSA-N 2 1 302.378 0.095 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001099899598 763108172 /nfs/dbraw/zinc/10/81/72/763108172.db2.gz VQWQFMLGFYZISQ-HOTGVXAUSA-N 2 1 318.421 0.645 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930560 763136408 /nfs/dbraw/zinc/13/64/08/763136408.db2.gz IILIRRIHJIGDHA-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930560 763136413 /nfs/dbraw/zinc/13/64/13/763136413.db2.gz IILIRRIHJIGDHA-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930560 763136418 /nfs/dbraw/zinc/13/64/18/763136418.db2.gz IILIRRIHJIGDHA-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930560 763136428 /nfs/dbraw/zinc/13/64/28/763136428.db2.gz IILIRRIHJIGDHA-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930561 763136800 /nfs/dbraw/zinc/13/68/00/763136800.db2.gz IILIRRIHJIGDHA-IRXDYDNUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930561 763136802 /nfs/dbraw/zinc/13/68/02/763136802.db2.gz IILIRRIHJIGDHA-IRXDYDNUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930561 763136805 /nfs/dbraw/zinc/13/68/05/763136805.db2.gz IILIRRIHJIGDHA-IRXDYDNUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930561 763136808 /nfs/dbraw/zinc/13/68/08/763136808.db2.gz IILIRRIHJIGDHA-IRXDYDNUSA-N 2 1 321.465 0.826 20 30 DCEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)O1 ZINC001130187392 763166428 /nfs/dbraw/zinc/16/64/28/763166428.db2.gz UKJIDVBOWHIOQI-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)O1 ZINC001130187392 763166440 /nfs/dbraw/zinc/16/64/40/763166440.db2.gz UKJIDVBOWHIOQI-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972465 763176806 /nfs/dbraw/zinc/17/68/06/763176806.db2.gz WYLXALVJOYOZGO-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130430818 763300817 /nfs/dbraw/zinc/30/08/17/763300817.db2.gz JCPURONSVXJJOA-CQSZACIVSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CC)C1 ZINC001130439857 763318650 /nfs/dbraw/zinc/31/86/50/763318650.db2.gz WUPOEACXOUJNLW-CQSZACIVSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130439857 763318658 /nfs/dbraw/zinc/31/86/58/763318658.db2.gz WUPOEACXOUJNLW-CQSZACIVSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130439857 763318667 /nfs/dbraw/zinc/31/86/67/763318667.db2.gz WUPOEACXOUJNLW-CQSZACIVSA-N 2 1 317.437 0.790 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126649 763335572 /nfs/dbraw/zinc/33/55/72/763335572.db2.gz KOPVCRVRRRCVGM-JKSUJKDBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOCC)C1 ZINC001100415598 763564400 /nfs/dbraw/zinc/56/44/00/763564400.db2.gz YYZGYWREXZKAQC-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOCC)C1 ZINC001100415598 763564407 /nfs/dbraw/zinc/56/44/07/763564407.db2.gz YYZGYWREXZKAQC-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001100522781 763631903 /nfs/dbraw/zinc/63/19/03/763631903.db2.gz GKXNRWRXHRWCJY-QFQXCOSMSA-N 2 1 317.433 0.357 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001131393268 763797927 /nfs/dbraw/zinc/79/79/27/763797927.db2.gz RRAGYYIOMWMJDH-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001131393268 763797931 /nfs/dbraw/zinc/79/79/31/763797931.db2.gz RRAGYYIOMWMJDH-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001131393268 763797936 /nfs/dbraw/zinc/79/79/36/763797936.db2.gz RRAGYYIOMWMJDH-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001131393268 763797941 /nfs/dbraw/zinc/79/79/41/763797941.db2.gz RRAGYYIOMWMJDH-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100872794 763836057 /nfs/dbraw/zinc/83/60/57/763836057.db2.gz JYVXNSDYJJCBQX-FHERZECASA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100989057 763901019 /nfs/dbraw/zinc/90/10/19/763901019.db2.gz GCZOCAZQTGPJSJ-UHFFFAOYSA-N 2 1 304.394 0.326 20 30 DCEDMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC#CCOC)C[C@@]2(C)C1 ZINC001101400185 764085102 /nfs/dbraw/zinc/08/51/02/764085102.db2.gz KNKXTEDYBQUOAO-AEFFLSMTSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272751 764354532 /nfs/dbraw/zinc/35/45/32/764354532.db2.gz BIJHHEIKROACKG-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272751 764354536 /nfs/dbraw/zinc/35/45/36/764354536.db2.gz BIJHHEIKROACKG-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406186 764442220 /nfs/dbraw/zinc/44/22/20/764442220.db2.gz FKOHOGVUMLTKQX-LSDHHAIUSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132517283 764486626 /nfs/dbraw/zinc/48/66/26/764486626.db2.gz AOEAVQAFHCUQHX-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132517283 764486630 /nfs/dbraw/zinc/48/66/30/764486630.db2.gz AOEAVQAFHCUQHX-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132517283 764486636 /nfs/dbraw/zinc/48/66/36/764486636.db2.gz AOEAVQAFHCUQHX-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132517283 764486639 /nfs/dbraw/zinc/48/66/39/764486639.db2.gz AOEAVQAFHCUQHX-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048438 764509422 /nfs/dbraw/zinc/50/94/22/764509422.db2.gz BKSXFTRNUGNAHS-OIISXLGYSA-N 2 1 321.465 0.661 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133853822 765172170 /nfs/dbraw/zinc/17/21/70/765172170.db2.gz QCGIMHKOSXMFET-SNVBAGLBSA-N 2 1 304.232 0.943 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000641 765549177 /nfs/dbraw/zinc/54/91/77/765549177.db2.gz JPXOYQRJVXAMDW-NYTXWWLZSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115081806 765583011 /nfs/dbraw/zinc/58/30/11/765583011.db2.gz YKFHWRKNYHYIQL-NYTXWWLZSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081806 765583017 /nfs/dbraw/zinc/58/30/17/765583017.db2.gz YKFHWRKNYHYIQL-NYTXWWLZSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081806 765583022 /nfs/dbraw/zinc/58/30/22/765583022.db2.gz YKFHWRKNYHYIQL-NYTXWWLZSA-N 2 1 322.453 0.065 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612592 765590637 /nfs/dbraw/zinc/59/06/37/765590637.db2.gz OSQHVRKHMYCRRR-UONOGXRCSA-N 2 1 322.453 0.093 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090573812 766328909 /nfs/dbraw/zinc/32/89/09/766328909.db2.gz PAXVDLYMMLRNLX-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090573812 766328917 /nfs/dbraw/zinc/32/89/17/766328917.db2.gz PAXVDLYMMLRNLX-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090573812 766328925 /nfs/dbraw/zinc/32/89/25/766328925.db2.gz PAXVDLYMMLRNLX-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090617767 766383466 /nfs/dbraw/zinc/38/34/66/766383466.db2.gz XHGWFPHBJZTKCK-HUUCEWRRSA-N 2 1 318.421 0.581 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090617767 766383474 /nfs/dbraw/zinc/38/34/74/766383474.db2.gz XHGWFPHBJZTKCK-HUUCEWRRSA-N 2 1 318.421 0.581 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC001090706271 766494069 /nfs/dbraw/zinc/49/40/69/766494069.db2.gz HBUAMBAVSMABSE-DLBZAZTESA-N 2 1 321.465 0.846 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731829 766528809 /nfs/dbraw/zinc/52/88/09/766528809.db2.gz WYKMWYUQUFGUCG-HUUCEWRRSA-N 2 1 307.438 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC=C)C[C@H]2O)CC1 ZINC001090829683 766647817 /nfs/dbraw/zinc/64/78/17/766647817.db2.gz DOEOTSOFKYRYMP-IAGOWNOFSA-N 2 1 319.449 0.459 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)C[C@@H]2O)CC1 ZINC001090830599 766648838 /nfs/dbraw/zinc/64/88/38/766648838.db2.gz NOFPOUXCNWLRBR-SJORKVTESA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001090830331 766649273 /nfs/dbraw/zinc/64/92/73/766649273.db2.gz LKZJRZRKDJBJGF-SJORKVTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001090830331 766649279 /nfs/dbraw/zinc/64/92/79/766649279.db2.gz LKZJRZRKDJBJGF-SJORKVTESA-N 2 1 315.417 0.546 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146718448 767511428 /nfs/dbraw/zinc/51/14/28/767511428.db2.gz BPGKUFCGFIKPCO-UHFFFAOYSA-N 2 1 312.458 0.459 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147788140 767848454 /nfs/dbraw/zinc/84/84/54/767848454.db2.gz XCISXKOAHBWRGV-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147788140 767848461 /nfs/dbraw/zinc/84/84/61/767848461.db2.gz XCISXKOAHBWRGV-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001147788140 767848469 /nfs/dbraw/zinc/84/84/69/767848469.db2.gz XCISXKOAHBWRGV-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001202939226 768477277 /nfs/dbraw/zinc/47/72/77/768477277.db2.gz AJXSDIBVUGKRIM-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001093412924 768563238 /nfs/dbraw/zinc/56/32/38/768563238.db2.gz BHBAHDBQUMKPOZ-KLHKWILBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021642 768926870 /nfs/dbraw/zinc/92/68/70/768926870.db2.gz KVZHVZQRNUAUAK-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021642 768926874 /nfs/dbraw/zinc/92/68/74/768926874.db2.gz KVZHVZQRNUAUAK-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150299210 769061555 /nfs/dbraw/zinc/06/15/55/769061555.db2.gz MFRRTZREQYYAKD-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150299210 769061564 /nfs/dbraw/zinc/06/15/64/769061564.db2.gz MFRRTZREQYYAKD-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150332152 769066714 /nfs/dbraw/zinc/06/67/14/769066714.db2.gz GRUPLACBHAKEKS-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN1CCCO[C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150331551 769066783 /nfs/dbraw/zinc/06/67/83/769066783.db2.gz DQZLOVZZPAAJKQ-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001150331551 769066795 /nfs/dbraw/zinc/06/67/95/769066795.db2.gz DQZLOVZZPAAJKQ-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150331551 769066805 /nfs/dbraw/zinc/06/68/05/769066805.db2.gz DQZLOVZZPAAJKQ-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150331551 769066827 /nfs/dbraw/zinc/06/68/27/769066827.db2.gz DQZLOVZZPAAJKQ-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417592 769090688 /nfs/dbraw/zinc/09/06/88/769090688.db2.gz OLIUHQORLJPGGD-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151408411 769332283 /nfs/dbraw/zinc/33/22/83/769332283.db2.gz IYRAYJTXSUUDEH-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001094951721 769506955 /nfs/dbraw/zinc/50/69/55/769506955.db2.gz JREXKNCOBNNNBH-MJBXVCDLSA-N 2 1 316.405 0.952 20 30 DCEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001095016205 769535096 /nfs/dbraw/zinc/53/50/96/769535096.db2.gz CUKIKFHOQBQLIR-JYJNAYRXSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001150332946 769737764 /nfs/dbraw/zinc/73/77/64/769737764.db2.gz JNMQFFYBGXQTNN-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150332946 769737770 /nfs/dbraw/zinc/73/77/70/769737770.db2.gz JNMQFFYBGXQTNN-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150332946 769737777 /nfs/dbraw/zinc/73/77/77/769737777.db2.gz JNMQFFYBGXQTNN-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150332946 769737787 /nfs/dbraw/zinc/73/77/87/769737787.db2.gz JNMQFFYBGXQTNN-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153818850 769950115 /nfs/dbraw/zinc/95/01/15/769950115.db2.gz CWDVEOODLZCBIT-CABCVRRESA-N 2 1 305.426 0.273 20 30 DCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153818850 769950126 /nfs/dbraw/zinc/95/01/26/769950126.db2.gz CWDVEOODLZCBIT-CABCVRRESA-N 2 1 305.426 0.273 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155744339 770606136 /nfs/dbraw/zinc/60/61/36/770606136.db2.gz SOSVCEDIMKOMCF-OAHLLOKOSA-N 2 1 319.453 0.908 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180135266 771061225 /nfs/dbraw/zinc/06/12/25/771061225.db2.gz DSGXTOAZAZUDAG-ZFWWWQNUSA-N 2 1 304.394 0.420 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NCCNCc2cc(F)ccc2C#N)C1 ZINC001151049037 771318210 /nfs/dbraw/zinc/31/82/10/771318210.db2.gz HVNJDCWWIQUPSN-CYBMUJFWSA-N 2 1 304.369 0.855 20 30 DCEDMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001151049037 771318216 /nfs/dbraw/zinc/31/82/16/771318216.db2.gz HVNJDCWWIQUPSN-CYBMUJFWSA-N 2 1 304.369 0.855 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001151049037 771318220 /nfs/dbraw/zinc/31/82/20/771318220.db2.gz HVNJDCWWIQUPSN-CYBMUJFWSA-N 2 1 304.369 0.855 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NCCNCc2cc(F)ccc2C#N)C1 ZINC001151049038 771318266 /nfs/dbraw/zinc/31/82/66/771318266.db2.gz HVNJDCWWIQUPSN-ZDUSSCGKSA-N 2 1 304.369 0.855 20 30 DCEDMP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001151049038 771318272 /nfs/dbraw/zinc/31/82/72/771318272.db2.gz HVNJDCWWIQUPSN-ZDUSSCGKSA-N 2 1 304.369 0.855 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001151049038 771318277 /nfs/dbraw/zinc/31/82/77/771318277.db2.gz HVNJDCWWIQUPSN-ZDUSSCGKSA-N 2 1 304.369 0.855 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001159632834 771937457 /nfs/dbraw/zinc/93/74/57/771937457.db2.gz ATUHPDDTTYFMDP-DYVFJYSZSA-N 2 1 317.437 0.977 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159900933 771973833 /nfs/dbraw/zinc/97/38/33/771973833.db2.gz DSVCFTNQHPYVQS-HNNXBMFYSA-N 2 1 324.469 0.647 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001160196436 772007441 /nfs/dbraw/zinc/00/74/41/772007441.db2.gz SFHLUHJYMQZYGH-DLBZAZTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001160196436 772007446 /nfs/dbraw/zinc/00/74/46/772007446.db2.gz SFHLUHJYMQZYGH-DLBZAZTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001160196436 772007455 /nfs/dbraw/zinc/00/74/55/772007455.db2.gz SFHLUHJYMQZYGH-DLBZAZTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC12CCOCC2 ZINC001186553763 772054209 /nfs/dbraw/zinc/05/42/09/772054209.db2.gz VLOGGPIAVVKSCH-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)(COC)CC1 ZINC001162569275 772393084 /nfs/dbraw/zinc/39/30/84/772393084.db2.gz NRMQTFPUMRCHHR-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515901 772487789 /nfs/dbraw/zinc/48/77/89/772487789.db2.gz CSQYRWVDPIJWRT-LSDHHAIUSA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515901 772487790 /nfs/dbraw/zinc/48/77/90/772487790.db2.gz CSQYRWVDPIJWRT-LSDHHAIUSA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515901 772487791 /nfs/dbraw/zinc/48/77/91/772487791.db2.gz CSQYRWVDPIJWRT-LSDHHAIUSA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189515901 772487792 /nfs/dbraw/zinc/48/77/92/772487792.db2.gz CSQYRWVDPIJWRT-LSDHHAIUSA-N 2 1 311.426 0.052 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191144957 772732092 /nfs/dbraw/zinc/73/20/92/772732092.db2.gz RXPOSXLFKYIZCA-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191430613 772767101 /nfs/dbraw/zinc/76/71/01/772767101.db2.gz GGOMHZLEZIMCAE-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430197 772767220 /nfs/dbraw/zinc/76/72/20/772767220.db2.gz CCJVWPJZHMVKSM-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001191430197 772767222 /nfs/dbraw/zinc/76/72/22/772767222.db2.gz CCJVWPJZHMVKSM-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191430197 772767224 /nfs/dbraw/zinc/76/72/24/772767224.db2.gz CCJVWPJZHMVKSM-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950587 772848089 /nfs/dbraw/zinc/84/80/89/772848089.db2.gz VANPRPJLCYNYOR-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950587 772848093 /nfs/dbraw/zinc/84/80/93/772848093.db2.gz VANPRPJLCYNYOR-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191950587 772848097 /nfs/dbraw/zinc/84/80/97/772848097.db2.gz VANPRPJLCYNYOR-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191950587 772848098 /nfs/dbraw/zinc/84/80/98/772848098.db2.gz VANPRPJLCYNYOR-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191999034 772851111 /nfs/dbraw/zinc/85/11/11/772851111.db2.gz RKPZFJQHGOSOFF-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191999034 772851116 /nfs/dbraw/zinc/85/11/16/772851116.db2.gz RKPZFJQHGOSOFF-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192007498 772856815 /nfs/dbraw/zinc/85/68/15/772856815.db2.gz OHIQZGYMYQPWBZ-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134732 772871811 /nfs/dbraw/zinc/87/18/11/772871811.db2.gz MSGALDXKURPQHE-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134732 772871813 /nfs/dbraw/zinc/87/18/13/772871813.db2.gz MSGALDXKURPQHE-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791717 772924683 /nfs/dbraw/zinc/92/46/83/772924683.db2.gz KIESFRJZRKPNIP-CVEARBPZSA-N 2 1 321.465 0.993 20 30 DCEDMP C[C@@H](C#N)S(=O)(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001193138609 773016369 /nfs/dbraw/zinc/01/63/69/773016369.db2.gz QBKDDTSXAZMSAA-ZDUSSCGKSA-N 2 1 314.455 0.188 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206872494 773116617 /nfs/dbraw/zinc/11/66/17/773116617.db2.gz GYRMQLVVWZKVSH-KRWDZBQOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)CC1 ZINC001194246522 773167547 /nfs/dbraw/zinc/16/75/47/773167547.db2.gz NXHXLVWQUCHKHD-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194298579 773171827 /nfs/dbraw/zinc/17/18/27/773171827.db2.gz HHJZTAOXSAFEPK-HZPDHXFCSA-N 2 1 316.405 0.093 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194298579 773171829 /nfs/dbraw/zinc/17/18/29/773171829.db2.gz HHJZTAOXSAFEPK-HZPDHXFCSA-N 2 1 316.405 0.093 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001210484817 773712491 /nfs/dbraw/zinc/71/24/91/773712491.db2.gz DKEAUZIFDUNOJJ-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001210484817 773712495 /nfs/dbraw/zinc/71/24/95/773712495.db2.gz DKEAUZIFDUNOJJ-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001210484817 773712500 /nfs/dbraw/zinc/71/25/00/773712500.db2.gz DKEAUZIFDUNOJJ-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127385 774033074 /nfs/dbraw/zinc/03/30/74/774033074.db2.gz AYFIXQFINHUDLY-BZUAXINKSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127385 774033079 /nfs/dbraw/zinc/03/30/79/774033079.db2.gz AYFIXQFINHUDLY-BZUAXINKSA-N 2 1 307.438 0.291 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200636589 774382523 /nfs/dbraw/zinc/38/25/23/774382523.db2.gz JGCQPXRKEQYSPP-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658321 774392709 /nfs/dbraw/zinc/39/27/09/774392709.db2.gz KQKXXXAADIKWFR-HZPDHXFCSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOCC)CC1 ZINC001201094019 774446190 /nfs/dbraw/zinc/44/61/90/774446190.db2.gz MBSJWYJFTJFMPO-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOCC)CC1 ZINC001201094019 774446192 /nfs/dbraw/zinc/44/61/92/774446192.db2.gz MBSJWYJFTJFMPO-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724510 774591713 /nfs/dbraw/zinc/59/17/13/774591713.db2.gz OMZSDYCRMLOWLA-MCIONIFRSA-N 2 1 301.406 0.404 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220868232 774939989 /nfs/dbraw/zinc/93/99/89/774939989.db2.gz FFGRVIHYPAZFME-YESZJQIVSA-N 2 1 320.481 0.827 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221444994 775105531 /nfs/dbraw/zinc/10/55/31/775105531.db2.gz VTBUMRXADOIRQS-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444994 775105535 /nfs/dbraw/zinc/10/55/35/775105535.db2.gz VTBUMRXADOIRQS-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444994 775105541 /nfs/dbraw/zinc/10/55/41/775105541.db2.gz VTBUMRXADOIRQS-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001223449595 775492396 /nfs/dbraw/zinc/49/23/96/775492396.db2.gz MKASTWVYHUKVMO-MRXNPFEDSA-N 2 1 319.453 0.828 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC#CCOC)[C@H]2C1 ZINC001223838373 775520764 /nfs/dbraw/zinc/52/07/64/775520764.db2.gz HHFVUTYGVIPMHA-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC#CCOC)[C@H]2C1 ZINC001223838373 775520770 /nfs/dbraw/zinc/52/07/70/775520770.db2.gz HHFVUTYGVIPMHA-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC#CCOC)[C@H]2C1 ZINC001223838373 775520776 /nfs/dbraw/zinc/52/07/76/775520776.db2.gz HHFVUTYGVIPMHA-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916244 775525526 /nfs/dbraw/zinc/52/55/26/775525526.db2.gz CHAYUUCPCKKUOB-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001224558093 775582572 /nfs/dbraw/zinc/58/25/72/775582572.db2.gz ACZBPBGXQVAZAE-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225346261 775669616 /nfs/dbraw/zinc/66/96/16/775669616.db2.gz LAFGEYAMVJIEAN-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114974530 776072251 /nfs/dbraw/zinc/07/22/51/776072251.db2.gz GGRFMADHHRRRPF-VQFNDLOPSA-N 2 1 319.449 0.559 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114974530 776072255 /nfs/dbraw/zinc/07/22/55/776072255.db2.gz GGRFMADHHRRRPF-VQFNDLOPSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001229184788 776165937 /nfs/dbraw/zinc/16/59/37/776165937.db2.gz BNRRFZXKVZUXMB-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001229184788 776165942 /nfs/dbraw/zinc/16/59/42/776165942.db2.gz BNRRFZXKVZUXMB-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001229859893 776231827 /nfs/dbraw/zinc/23/18/27/776231827.db2.gz GZPFRYYFIWKVQK-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001229908335 776235550 /nfs/dbraw/zinc/23/55/50/776235550.db2.gz ISYIOZXLQJFSPH-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230101550 776252831 /nfs/dbraw/zinc/25/28/31/776252831.db2.gz QVNWQBDYYYXBEE-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001230101550 776252834 /nfs/dbraw/zinc/25/28/34/776252834.db2.gz QVNWQBDYYYXBEE-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230374120 776288933 /nfs/dbraw/zinc/28/89/33/776288933.db2.gz JPZPSPJKKKHJLE-CQSZACIVSA-N 2 1 324.469 0.598 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167963 777105431 /nfs/dbraw/zinc/10/54/31/777105431.db2.gz SJBUIXJGSVJVGR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167963 777105439 /nfs/dbraw/zinc/10/54/39/777105439.db2.gz SJBUIXJGSVJVGR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167963 777105446 /nfs/dbraw/zinc/10/54/46/777105446.db2.gz SJBUIXJGSVJVGR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167963 777105453 /nfs/dbraw/zinc/10/54/53/777105453.db2.gz SJBUIXJGSVJVGR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001041598354 777378892 /nfs/dbraw/zinc/37/88/92/777378892.db2.gz MPWLKXLSIVWCSL-FUHWJXTLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001041598354 777378898 /nfs/dbraw/zinc/37/88/98/777378898.db2.gz MPWLKXLSIVWCSL-FUHWJXTLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041598354 777378902 /nfs/dbraw/zinc/37/89/02/777378902.db2.gz MPWLKXLSIVWCSL-FUHWJXTLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041598354 777378908 /nfs/dbraw/zinc/37/89/08/777378908.db2.gz MPWLKXLSIVWCSL-FUHWJXTLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270808 777821651 /nfs/dbraw/zinc/82/16/51/777821651.db2.gz SNEQFLUSGDWIOY-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270808 777821661 /nfs/dbraw/zinc/82/16/61/777821661.db2.gz SNEQFLUSGDWIOY-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001278024461 945101546 /nfs/dbraw/zinc/10/15/46/945101546.db2.gz FCUNGBDGNOLUBC-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001266288187 939051177 /nfs/dbraw/zinc/05/11/77/939051177.db2.gz BVBGSEKSUZQWEP-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001266288187 939051178 /nfs/dbraw/zinc/05/11/78/939051178.db2.gz BVBGSEKSUZQWEP-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001282498507 939085985 /nfs/dbraw/zinc/08/59/85/939085985.db2.gz YJISQBBKGCQYQT-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267114331 939348806 /nfs/dbraw/zinc/34/88/06/939348806.db2.gz CUSNPACUJRMPBO-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267114331 939348810 /nfs/dbraw/zinc/34/88/10/939348810.db2.gz CUSNPACUJRMPBO-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267114331 939348813 /nfs/dbraw/zinc/34/88/13/939348813.db2.gz CUSNPACUJRMPBO-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267114331 939348816 /nfs/dbraw/zinc/34/88/16/939348816.db2.gz CUSNPACUJRMPBO-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001267154814 939361289 /nfs/dbraw/zinc/36/12/89/939361289.db2.gz LEIDXBYQMRMMRQ-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001267277390 939412555 /nfs/dbraw/zinc/41/25/55/939412555.db2.gz XKZXCLXPSFNBFQ-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001267277390 939412557 /nfs/dbraw/zinc/41/25/57/939412557.db2.gz XKZXCLXPSFNBFQ-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001481358448 939759542 /nfs/dbraw/zinc/75/95/42/939759542.db2.gz SAMCYKSODZXHFY-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001481358448 939759546 /nfs/dbraw/zinc/75/95/46/939759546.db2.gz SAMCYKSODZXHFY-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001481358448 939759547 /nfs/dbraw/zinc/75/95/47/939759547.db2.gz SAMCYKSODZXHFY-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001481358448 939759549 /nfs/dbraw/zinc/75/95/49/939759549.db2.gz SAMCYKSODZXHFY-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001268195318 939986602 /nfs/dbraw/zinc/98/66/02/939986602.db2.gz RSYSGYJIHDRUEW-IRXDYDNUSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001268195318 939986604 /nfs/dbraw/zinc/98/66/04/939986604.db2.gz RSYSGYJIHDRUEW-IRXDYDNUSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001481746793 940106562 /nfs/dbraw/zinc/10/65/62/940106562.db2.gz IWSZSRBTNCGWIY-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001481746793 940106565 /nfs/dbraw/zinc/10/65/65/940106565.db2.gz IWSZSRBTNCGWIY-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001273144191 945324837 /nfs/dbraw/zinc/32/48/37/945324837.db2.gz OIKXQEFWDUNBMA-SFHVURJKSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273145357 945327834 /nfs/dbraw/zinc/32/78/34/945327834.db2.gz WJWKWVUXBDMNGC-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273145357 945327843 /nfs/dbraw/zinc/32/78/43/945327843.db2.gz WJWKWVUXBDMNGC-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273145357 945327852 /nfs/dbraw/zinc/32/78/52/945327852.db2.gz WJWKWVUXBDMNGC-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001269388141 940697761 /nfs/dbraw/zinc/69/77/61/940697761.db2.gz GOHGLVGUBDVGQY-ZIAGYGMSSA-N 2 1 320.437 0.106 20 30 DCEDMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001270345629 940885022 /nfs/dbraw/zinc/88/50/22/940885022.db2.gz ISWNXAOFHZBHNZ-CVEARBPZSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270358564 940886850 /nfs/dbraw/zinc/88/68/50/940886850.db2.gz KTNZFMGCXOQRCK-OAHLLOKOSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271956040 941491147 /nfs/dbraw/zinc/49/11/47/941491147.db2.gz AJMAUVJRCXLYEY-SJLPKXTDSA-N 2 1 319.449 0.295 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001482649523 941610109 /nfs/dbraw/zinc/61/01/09/941610109.db2.gz LOVGOCZPLMIWPJ-OAHLLOKOSA-N 2 1 322.453 0.259 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001482649523 941610110 /nfs/dbraw/zinc/61/01/10/941610110.db2.gz LOVGOCZPLMIWPJ-OAHLLOKOSA-N 2 1 322.453 0.259 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644823 942360494 /nfs/dbraw/zinc/36/04/94/942360494.db2.gz XRQJSVYTNWLCEV-CABCVRRESA-N 2 1 300.362 0.685 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644823 942360498 /nfs/dbraw/zinc/36/04/98/942360498.db2.gz XRQJSVYTNWLCEV-CABCVRRESA-N 2 1 300.362 0.685 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483650273 942624356 /nfs/dbraw/zinc/62/43/56/942624356.db2.gz DOXZBKPSHNFPJM-JKSUJKDBSA-N 2 1 307.438 0.721 20 30 DCEDMP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001272295327 942671783 /nfs/dbraw/zinc/67/17/83/942671783.db2.gz PEMLTBOLAMKMAX-ZDUSSCGKSA-N 2 1 303.834 0.491 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](CC)OC)CC1 ZINC001483743158 942844771 /nfs/dbraw/zinc/84/47/71/942844771.db2.gz QBUKMXPVZULOMP-GJZGRUSLSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](CC)OC)CC1 ZINC001483743158 942844774 /nfs/dbraw/zinc/84/47/74/942844774.db2.gz QBUKMXPVZULOMP-GJZGRUSLSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001484025585 943086064 /nfs/dbraw/zinc/08/60/64/943086064.db2.gz MTIHGWSYGTXLND-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484243194 943249220 /nfs/dbraw/zinc/24/92/20/943249220.db2.gz UDQOFSNUWJCIOL-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CC=C)C2)CC1 ZINC001484251573 943263740 /nfs/dbraw/zinc/26/37/40/943263740.db2.gz FUAODUUPNJVEKH-QGZVFWFLSA-N 2 1 305.422 0.071 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001484887161 943613677 /nfs/dbraw/zinc/61/36/77/943613677.db2.gz FVRPHPNKRCFUMN-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001484955088 943636641 /nfs/dbraw/zinc/63/66/41/943636641.db2.gz ZRFRVTCBLRNWGF-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001491080538 943738256 /nfs/dbraw/zinc/73/82/56/943738256.db2.gz IEKUULVPBWQAAR-QLFBSQMISA-N 2 1 311.426 0.147 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001491080538 943738260 /nfs/dbraw/zinc/73/82/60/943738260.db2.gz IEKUULVPBWQAAR-QLFBSQMISA-N 2 1 311.426 0.147 20 30 DCEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485505523 943972581 /nfs/dbraw/zinc/97/25/81/943972581.db2.gz GDIXNRGBZUBBLE-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485505523 943972584 /nfs/dbraw/zinc/97/25/84/943972584.db2.gz GDIXNRGBZUBBLE-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CC ZINC001276762335 944289348 /nfs/dbraw/zinc/28/93/48/944289348.db2.gz QQBPXWBSQXDSIV-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001272871536 944292386 /nfs/dbraw/zinc/29/23/86/944292386.db2.gz XHSKAOBIKSFRJA-GOSISDBHSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001272871536 944292393 /nfs/dbraw/zinc/29/23/93/944292393.db2.gz XHSKAOBIKSFRJA-GOSISDBHSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001486050071 944533078 /nfs/dbraw/zinc/53/30/78/944533078.db2.gz KPMQHFDERRRKMK-JKSUJKDBSA-N 2 1 303.406 0.379 20 30 DCEDMP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001316869998 944604982 /nfs/dbraw/zinc/60/49/82/944604982.db2.gz KYEKKHAISWFIKT-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001316869998 944604999 /nfs/dbraw/zinc/60/49/99/944604999.db2.gz KYEKKHAISWFIKT-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001277357058 944782515 /nfs/dbraw/zinc/78/25/15/944782515.db2.gz ZAJLOCZCPFGPBY-AWEZNQCLSA-N 2 1 306.410 0.716 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001317512439 945010488 /nfs/dbraw/zinc/01/04/88/945010488.db2.gz LNXDXEKAOHQPEL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001317512439 945010501 /nfs/dbraw/zinc/01/05/01/945010501.db2.gz LNXDXEKAOHQPEL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001317512439 945010512 /nfs/dbraw/zinc/01/05/12/945010512.db2.gz LNXDXEKAOHQPEL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001317512439 945010524 /nfs/dbraw/zinc/01/05/24/945010524.db2.gz LNXDXEKAOHQPEL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001318525528 945393502 /nfs/dbraw/zinc/39/35/02/945393502.db2.gz XQXSUMWCCHAQRZ-HUUCEWRRSA-N 2 1 322.453 0.093 20 30 DCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001318731072 945434730 /nfs/dbraw/zinc/43/47/30/945434730.db2.gz XNNIVJUACGUFRI-DOTOQJQBSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001318731072 945434736 /nfs/dbraw/zinc/43/47/36/945434736.db2.gz XNNIVJUACGUFRI-DOTOQJQBSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCN1CC[N@@H+](C)C2(CCN([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246743709 945480887 /nfs/dbraw/zinc/48/08/87/945480887.db2.gz XFESZLXOCUVZJX-HNNXBMFYSA-N 2 1 306.454 0.533 20 30 DCEDMP C=CCN1CC[N@H+](C)C2(CCN([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246743709 945480891 /nfs/dbraw/zinc/48/08/91/945480891.db2.gz XFESZLXOCUVZJX-HNNXBMFYSA-N 2 1 306.454 0.533 20 30 DCEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246768491 945486933 /nfs/dbraw/zinc/48/69/33/945486933.db2.gz OSUACTBFHNRBGY-BQFCYCMXSA-N 2 1 321.465 0.907 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001278512259 945617513 /nfs/dbraw/zinc/61/75/13/945617513.db2.gz PFYXQDQXGGZSDY-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C[C@@](C)(O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252551732 945961800 /nfs/dbraw/zinc/96/18/00/945961800.db2.gz DDBKYBNKHOMLQT-MRXNPFEDSA-N 2 1 322.409 0.261 20 30 DCEDMP C=C[C@@](C)(O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252551732 945961808 /nfs/dbraw/zinc/96/18/08/945961808.db2.gz DDBKYBNKHOMLQT-MRXNPFEDSA-N 2 1 322.409 0.261 20 30 DCEDMP C=CCC[C@H](O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001252599629 945970607 /nfs/dbraw/zinc/97/06/07/945970607.db2.gz CYARLKJCZKCAQP-INIZCTEOSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1oc(C)nc1C ZINC001321543077 946372617 /nfs/dbraw/zinc/37/26/17/946372617.db2.gz FAZTUEJTFATBPL-DOMZBBRYSA-N 2 1 318.421 0.983 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001278932509 946625584 /nfs/dbraw/zinc/62/55/84/946625584.db2.gz ULDGKWSPGJITRE-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001278932509 946625593 /nfs/dbraw/zinc/62/55/93/946625593.db2.gz ULDGKWSPGJITRE-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001322243395 946626504 /nfs/dbraw/zinc/62/65/04/946626504.db2.gz FFEYRBNKUHBSEA-ZDUSSCGKSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001322243395 946626512 /nfs/dbraw/zinc/62/65/12/946626512.db2.gz FFEYRBNKUHBSEA-ZDUSSCGKSA-N 2 1 304.394 0.954 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001278946083 946642368 /nfs/dbraw/zinc/64/23/68/946642368.db2.gz UISOIYDPVMJWOG-HUUCEWRRSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC001273365457 946863937 /nfs/dbraw/zinc/86/39/37/946863937.db2.gz HSIQOMHTEDVDTQ-KRWDZBQOSA-N 2 1 315.417 0.569 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CCO1 ZINC001273365457 946863952 /nfs/dbraw/zinc/86/39/52/946863952.db2.gz HSIQOMHTEDVDTQ-KRWDZBQOSA-N 2 1 315.417 0.569 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001323541567 947120842 /nfs/dbraw/zinc/12/08/42/947120842.db2.gz JNBXDJUSKRVDLR-UONOGXRCSA-N 2 1 322.453 0.257 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001324096727 947313203 /nfs/dbraw/zinc/31/32/03/947313203.db2.gz DKXDVLZGDUKHFE-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001324973695 947594921 /nfs/dbraw/zinc/59/49/21/947594921.db2.gz ZUFXRRSDPCPKHD-KRWDZBQOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001324973695 947594925 /nfs/dbraw/zinc/59/49/25/947594925.db2.gz ZUFXRRSDPCPKHD-KRWDZBQOSA-N 2 1 307.438 0.560 20 30 DCEDMP CC#CC[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001262570683 947730318 /nfs/dbraw/zinc/73/03/18/947730318.db2.gz BRGBILHOQQIPLV-ROUUACIJSA-N 2 1 302.418 0.987 20 30 DCEDMP CC#CC[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001262570683 947730326 /nfs/dbraw/zinc/73/03/26/947730326.db2.gz BRGBILHOQQIPLV-ROUUACIJSA-N 2 1 302.418 0.987 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001273456639 947738034 /nfs/dbraw/zinc/73/80/34/947738034.db2.gz KWZKMANNLZZEMY-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H](C)O)CC1 ZINC001326522067 948188412 /nfs/dbraw/zinc/18/84/12/948188412.db2.gz QKDGUYULKKTKIK-QAETUUGQSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H](C)O)CC1 ZINC001326522067 948188413 /nfs/dbraw/zinc/18/84/13/948188413.db2.gz QKDGUYULKKTKIK-QAETUUGQSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[N@@H+](C)CC)O2 ZINC001327366044 948481530 /nfs/dbraw/zinc/48/15/30/948481530.db2.gz WGEPFVQKPBJFSS-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[N@H+](C)CC)O2 ZINC001327366044 948481533 /nfs/dbraw/zinc/48/15/33/948481533.db2.gz WGEPFVQKPBJFSS-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001493129320 948610785 /nfs/dbraw/zinc/61/07/85/948610785.db2.gz AJBRRQKBNRQWII-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001273885870 948655593 /nfs/dbraw/zinc/65/55/93/948655593.db2.gz QHEABIMRXSULIJ-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001273883360 948655933 /nfs/dbraw/zinc/65/59/33/948655933.db2.gz AHHOCVURUJDUFM-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001273909818 948674352 /nfs/dbraw/zinc/67/43/52/948674352.db2.gz BIDLJWHDGSVUMG-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001263970405 948817224 /nfs/dbraw/zinc/81/72/24/948817224.db2.gz UCYOGSCGUGLBFM-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001488734231 949116602 /nfs/dbraw/zinc/11/66/02/949116602.db2.gz CISSJILSDMHRNV-APIJFGDWSA-N 2 1 322.453 0.113 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265258648 949507805 /nfs/dbraw/zinc/50/78/05/949507805.db2.gz NRBXGIKLMPNEKJ-HZPDHXFCSA-N 2 1 306.454 0.084 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265655655 949856034 /nfs/dbraw/zinc/85/60/34/949856034.db2.gz MKUQEUPXYQKVRD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265655655 949856059 /nfs/dbraw/zinc/85/60/59/949856059.db2.gz MKUQEUPXYQKVRD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001265655655 949856084 /nfs/dbraw/zinc/85/60/84/949856084.db2.gz MKUQEUPXYQKVRD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265655655 949856103 /nfs/dbraw/zinc/85/61/03/949856103.db2.gz MKUQEUPXYQKVRD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001265871835 950071266 /nfs/dbraw/zinc/07/12/66/950071266.db2.gz HNLVRABUAIIHSG-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265978647 950228952 /nfs/dbraw/zinc/22/89/52/950228952.db2.gz SUKUEMXUVSSGHL-UHFFFAOYSA-N 2 1 309.454 0.950 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266154788 950425960 /nfs/dbraw/zinc/42/59/60/950425960.db2.gz FZPPPXWJARXAQA-KGLIPLIRSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001279431314 950569507 /nfs/dbraw/zinc/56/95/07/950569507.db2.gz KYMRDQCATQVVIN-GDBMZVCRSA-N 2 1 306.454 0.130 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001279508872 950607972 /nfs/dbraw/zinc/60/79/72/950607972.db2.gz HALIHUUEXRZDOG-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001279508872 950607983 /nfs/dbraw/zinc/60/79/83/950607983.db2.gz HALIHUUEXRZDOG-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001279508872 950607994 /nfs/dbraw/zinc/60/79/94/950607994.db2.gz HALIHUUEXRZDOG-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001490549226 950812883 /nfs/dbraw/zinc/81/28/83/950812883.db2.gz CRUWYVPXPUEVHS-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCC(=C)C)C1 ZINC001280598162 950978869 /nfs/dbraw/zinc/97/88/69/950978869.db2.gz XDFGYTZYPAMVCA-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCC(=C)C)C1 ZINC001280598162 950978887 /nfs/dbraw/zinc/97/88/87/950978887.db2.gz XDFGYTZYPAMVCA-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001331297452 951062985 /nfs/dbraw/zinc/06/29/85/951062985.db2.gz RREGGWKJEBIRLK-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC001274003132 951316427 /nfs/dbraw/zinc/31/64/27/951316427.db2.gz VPZQJVYGRHWNEV-UHFFFAOYSA-N 2 1 309.454 0.853 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001274075654 951400174 /nfs/dbraw/zinc/40/01/74/951400174.db2.gz FPVTYGSLEFDIMY-AWFCHZOYSA-N 2 1 307.438 0.773 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCF ZINC001332634555 951735923 /nfs/dbraw/zinc/73/59/23/951735923.db2.gz YQPPLTZOCVBFFJ-GJZGRUSLSA-N 2 1 313.417 0.195 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCF ZINC001332634555 951735925 /nfs/dbraw/zinc/73/59/25/951735925.db2.gz YQPPLTZOCVBFFJ-GJZGRUSLSA-N 2 1 313.417 0.195 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCCF ZINC001332634555 951735930 /nfs/dbraw/zinc/73/59/30/951735930.db2.gz YQPPLTZOCVBFFJ-GJZGRUSLSA-N 2 1 313.417 0.195 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCCF ZINC001332634555 951735932 /nfs/dbraw/zinc/73/59/32/951735932.db2.gz YQPPLTZOCVBFFJ-GJZGRUSLSA-N 2 1 313.417 0.195 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001332948231 951861313 /nfs/dbraw/zinc/86/13/13/951861313.db2.gz LLGDRPKHKSMXBR-UHFFFAOYSA-N 2 1 306.414 0.521 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001275849939 952494814 /nfs/dbraw/zinc/49/48/14/952494814.db2.gz JZUCWMOTHQOPII-KGLIPLIRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001275849939 952494817 /nfs/dbraw/zinc/49/48/17/952494817.db2.gz JZUCWMOTHQOPII-KGLIPLIRSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001281968806 953432124 /nfs/dbraw/zinc/43/21/24/953432124.db2.gz PDSRZKDERUWRAZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001281968806 953432132 /nfs/dbraw/zinc/43/21/32/953432132.db2.gz PDSRZKDERUWRAZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001281968806 953432135 /nfs/dbraw/zinc/43/21/35/953432135.db2.gz PDSRZKDERUWRAZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001281968806 953432142 /nfs/dbraw/zinc/43/21/42/953432142.db2.gz PDSRZKDERUWRAZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282678550 953644439 /nfs/dbraw/zinc/64/44/39/953644439.db2.gz VPRLTHSHLCEIJP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282678550 953644455 /nfs/dbraw/zinc/64/44/55/953644455.db2.gz VPRLTHSHLCEIJP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001282678550 953644467 /nfs/dbraw/zinc/64/44/67/953644467.db2.gz VPRLTHSHLCEIJP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001282716598 953660564 /nfs/dbraw/zinc/66/05/64/953660564.db2.gz LNBSFSMIJXUPPS-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001282716598 953660569 /nfs/dbraw/zinc/66/05/69/953660569.db2.gz LNBSFSMIJXUPPS-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)CN1CC[NH+](C)CC1 ZINC001346492057 953902179 /nfs/dbraw/zinc/90/21/79/953902179.db2.gz FPTZWQIOSQRFNK-GJZGRUSLSA-N 2 1 309.458 0.397 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC001349848849 954908343 /nfs/dbraw/zinc/90/83/43/954908343.db2.gz CVZIICZRTCUHSE-PMPSAXMXSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001349848849 954908353 /nfs/dbraw/zinc/90/83/53/954908353.db2.gz CVZIICZRTCUHSE-PMPSAXMXSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001349848849 954908360 /nfs/dbraw/zinc/90/83/60/954908360.db2.gz CVZIICZRTCUHSE-PMPSAXMXSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001349848849 954908365 /nfs/dbraw/zinc/90/83/65/954908365.db2.gz CVZIICZRTCUHSE-PMPSAXMXSA-N 2 1 304.438 0.820 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001480304067 955667848 /nfs/dbraw/zinc/66/78/48/955667848.db2.gz IPSIUVISAAYHBR-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001480304067 955667858 /nfs/dbraw/zinc/66/78/58/955667858.db2.gz IPSIUVISAAYHBR-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491675283 959115825 /nfs/dbraw/zinc/11/58/25/959115825.db2.gz ZAVJYBDXHROFCG-QWRGUYRKSA-N 2 1 304.232 0.941 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001495870335 959201827 /nfs/dbraw/zinc/20/18/27/959201827.db2.gz IVNLWDMNRYZHKC-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001495870335 959201835 /nfs/dbraw/zinc/20/18/35/959201835.db2.gz IVNLWDMNRYZHKC-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+](C)CCOCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001316767513 960323878 /nfs/dbraw/zinc/32/38/78/960323878.db2.gz RLTOJGYLJNMYES-UHFFFAOYSA-N 2 1 306.410 0.622 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001316767513 960323889 /nfs/dbraw/zinc/32/38/89/960323889.db2.gz RLTOJGYLJNMYES-UHFFFAOYSA-N 2 1 306.410 0.622 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316992636 960333230 /nfs/dbraw/zinc/33/32/30/960333230.db2.gz SBJUWVVUMAYVIB-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316992636 960333238 /nfs/dbraw/zinc/33/32/38/960333238.db2.gz SBJUWVVUMAYVIB-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316992636 960333242 /nfs/dbraw/zinc/33/32/42/960333242.db2.gz SBJUWVVUMAYVIB-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316992636 960333246 /nfs/dbraw/zinc/33/32/46/960333246.db2.gz SBJUWVVUMAYVIB-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001394655538 993977499 /nfs/dbraw/zinc/97/74/99/993977499.db2.gz ITYRZCVQJNBCSO-VXGBXAGGSA-N 2 1 322.434 0.138 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001394655532 993978202 /nfs/dbraw/zinc/97/82/02/993978202.db2.gz ITYRZCVQJNBCSO-NWDGAFQWSA-N 2 1 322.434 0.138 20 30 DCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001502895295 1016120441 /nfs/dbraw/zinc/12/04/41/1016120441.db2.gz CTWBAHWCXLNAOU-UHFFFAOYSA-N 2 1 306.410 0.711 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502971006 1016141185 /nfs/dbraw/zinc/14/11/85/1016141185.db2.gz TYFDYSHSDARLGV-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001505446591 1016250328 /nfs/dbraw/zinc/25/03/28/1016250328.db2.gz OKMSDINVZQZTCP-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001505446591 1016250333 /nfs/dbraw/zinc/25/03/33/1016250333.db2.gz OKMSDINVZQZTCP-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001505446591 1016250336 /nfs/dbraw/zinc/25/03/36/1016250336.db2.gz OKMSDINVZQZTCP-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001401546548 1000482810 /nfs/dbraw/zinc/48/28/10/1000482810.db2.gz AXVZJFLBZLHKNX-SMDDNHRTSA-N 2 1 322.434 0.281 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419237869 1000905570 /nfs/dbraw/zinc/90/55/70/1000905570.db2.gz BJWQFQOXQUFHHE-CHWSQXEVSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419237869 1000905574 /nfs/dbraw/zinc/90/55/74/1000905574.db2.gz BJWQFQOXQUFHHE-CHWSQXEVSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001441968376 1008729157 /nfs/dbraw/zinc/72/91/57/1008729157.db2.gz DNVUWNADNPMKHC-HZSPNIEDSA-N 2 1 317.861 0.878 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001423792623 1011555329 /nfs/dbraw/zinc/55/53/29/1011555329.db2.gz FXSZICQBHSHZCX-OAHLLOKOSA-N 2 1 313.829 0.388 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001423792623 1011555347 /nfs/dbraw/zinc/55/53/47/1011555347.db2.gz FXSZICQBHSHZCX-OAHLLOKOSA-N 2 1 313.829 0.388 20 30 DCEDMP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001506624458 1017419619 /nfs/dbraw/zinc/41/96/19/1017419619.db2.gz UOLHWDYHBUTOAX-IIAWOOMASA-N 2 1 309.454 0.966 20 30 DCEDMP CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC[N@H+](C)CC)n1 ZINC001479609606 1017601267 /nfs/dbraw/zinc/60/12/67/1017601267.db2.gz ZXWKQOQBQUVDOL-UHFFFAOYSA-N 2 1 319.409 0.253 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](CC=C)CCO)C1 ZINC001479654646 1017631004 /nfs/dbraw/zinc/63/10/04/1017631004.db2.gz MZMKHMNOIJZYAU-SJORKVTESA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](CC=C)CCO)C1 ZINC001479654646 1017631010 /nfs/dbraw/zinc/63/10/10/1017631010.db2.gz MZMKHMNOIJZYAU-SJORKVTESA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](CC=C)CCO)C1 ZINC001479654646 1017631020 /nfs/dbraw/zinc/63/10/20/1017631020.db2.gz MZMKHMNOIJZYAU-SJORKVTESA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](CC=C)CCO)C1 ZINC001479654646 1017631025 /nfs/dbraw/zinc/63/10/25/1017631025.db2.gz MZMKHMNOIJZYAU-SJORKVTESA-N 2 1 319.449 0.555 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001479664398 1017641943 /nfs/dbraw/zinc/64/19/43/1017641943.db2.gz ZFQGNZZVPCPCJQ-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001479664398 1017641948 /nfs/dbraw/zinc/64/19/48/1017641948.db2.gz ZFQGNZZVPCPCJQ-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001479664398 1017641956 /nfs/dbraw/zinc/64/19/56/1017641956.db2.gz ZFQGNZZVPCPCJQ-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494865255 1018112784 /nfs/dbraw/zinc/11/27/84/1018112784.db2.gz WFPWXZRGWSGASR-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494865255 1018112791 /nfs/dbraw/zinc/11/27/91/1018112791.db2.gz WFPWXZRGWSGASR-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494865255 1018112798 /nfs/dbraw/zinc/11/27/98/1018112798.db2.gz WFPWXZRGWSGASR-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494865255 1018112802 /nfs/dbraw/zinc/11/28/02/1018112802.db2.gz WFPWXZRGWSGASR-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC=C)C1 ZINC001480111772 1018216075 /nfs/dbraw/zinc/21/60/75/1018216075.db2.gz NJFZXXCQJUTOCN-HOTGVXAUSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC=C)C1 ZINC001480111772 1018216090 /nfs/dbraw/zinc/21/60/90/1018216090.db2.gz NJFZXXCQJUTOCN-HOTGVXAUSA-N 2 1 305.422 0.477 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001480354667 1018461436 /nfs/dbraw/zinc/46/14/36/1018461436.db2.gz BRDAAKLZOFJVDQ-MRXNPFEDSA-N 2 1 318.421 0.812 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cncs1 ZINC001480480235 1018578340 /nfs/dbraw/zinc/57/83/40/1018578340.db2.gz PWRVAHWEQBYRQO-OCCSQVGLSA-N 2 1 306.435 0.835 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cncs1 ZINC001480480235 1018578347 /nfs/dbraw/zinc/57/83/47/1018578347.db2.gz PWRVAHWEQBYRQO-OCCSQVGLSA-N 2 1 306.435 0.835 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001500941950 1018746854 /nfs/dbraw/zinc/74/68/54/1018746854.db2.gz PRRPSFKNGFPIEQ-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001500941949 1018749290 /nfs/dbraw/zinc/74/92/90/1018749290.db2.gz PRRPSFKNGFPIEQ-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001480665092 1018755654 /nfs/dbraw/zinc/75/56/54/1018755654.db2.gz ITDODQCLKRDOGM-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001493113042 1019112486 /nfs/dbraw/zinc/11/24/86/1019112486.db2.gz WSCJQNRSITWUMD-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001496824585 1019669435 /nfs/dbraw/zinc/66/94/35/1019669435.db2.gz ASPYOEVSDFRIRY-HUUCEWRRSA-N 2 1 324.469 0.101 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001496824585 1019669440 /nfs/dbraw/zinc/66/94/40/1019669440.db2.gz ASPYOEVSDFRIRY-HUUCEWRRSA-N 2 1 324.469 0.101 20 30 DCEDMP Cc1nnc(CNC(N[C@H]2CC[N@@H+](C3CC3)C2)=[NH+]C2CC2)n1C ZINC000261933260 238168402 /nfs/dbraw/zinc/16/84/02/238168402.db2.gz BVZUTMWUEHWVOX-ZDUSSCGKSA-N 2 1 317.441 0.558 20 30 DCEDMP Cc1nnc(CNC(N[C@H]2CC[N@H+](C3CC3)C2)=[NH+]C2CC2)n1C ZINC000261933260 238168405 /nfs/dbraw/zinc/16/84/05/238168405.db2.gz BVZUTMWUEHWVOX-ZDUSSCGKSA-N 2 1 317.441 0.558 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1COc2ccccc21 ZINC000274028541 238292353 /nfs/dbraw/zinc/29/23/53/238292353.db2.gz MFQBGGIVCQXMMP-CQSZACIVSA-N 2 1 304.394 0.747 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000491781343 533103948 /nfs/dbraw/zinc/10/39/48/533103948.db2.gz JWWBNSDKQBPLNT-UHFFFAOYSA-N 2 1 310.442 0.352 20 30 DCEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269459846 396416093 /nfs/dbraw/zinc/41/60/93/396416093.db2.gz XRIIRYDEEWJAOA-UHFFFAOYSA-N 2 1 304.369 0.951 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458317217 397429484 /nfs/dbraw/zinc/42/94/84/397429484.db2.gz BIXFUMRXZWUGPL-MRXNPFEDSA-N 2 1 324.469 0.783 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000114181187 415721669 /nfs/dbraw/zinc/72/16/69/415721669.db2.gz ZBSOQARDBQRCOP-INIZCTEOSA-N 2 1 320.481 0.331 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000355130488 415852586 /nfs/dbraw/zinc/85/25/86/415852586.db2.gz JSUSFQRXNATVDJ-CQSZACIVSA-N 2 1 320.437 0.106 20 30 DCEDMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000174713703 416084110 /nfs/dbraw/zinc/08/41/10/416084110.db2.gz YLMDZBCHZJEGMN-QGZVFWFLSA-N 2 1 321.469 0.364 20 30 DCEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000174713703 416084115 /nfs/dbraw/zinc/08/41/15/416084115.db2.gz YLMDZBCHZJEGMN-QGZVFWFLSA-N 2 1 321.469 0.364 20 30 DCEDMP C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330291748 416200279 /nfs/dbraw/zinc/20/02/79/416200279.db2.gz CXNZFMNSKFVKPB-HUUCEWRRSA-N 2 1 310.442 0.526 20 30 DCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000491809421 416631599 /nfs/dbraw/zinc/63/15/99/416631599.db2.gz XJMKBKLQRQMOTO-INIZCTEOSA-N 2 1 306.454 0.226 20 30 DCEDMP C=CC[NH+]1CCC(NS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631918107 416797565 /nfs/dbraw/zinc/79/75/65/416797565.db2.gz UOVVTBBNYRQEBK-UHFFFAOYSA-N 2 1 316.471 0.155 20 30 DCEDMP CCC[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1CCOC ZINC000565037178 416912909 /nfs/dbraw/zinc/91/29/09/416912909.db2.gz GHZGBHRSJPMTHN-LSDHHAIUSA-N 2 1 310.442 0.967 20 30 DCEDMP CCC[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1CCOC ZINC000565037178 416912914 /nfs/dbraw/zinc/91/29/14/416912914.db2.gz GHZGBHRSJPMTHN-LSDHHAIUSA-N 2 1 310.442 0.967 20 30 DCEDMP C=CC[C@@]1(C(=O)NCCC[NH+]2CCN(CC)CC2)CCC[NH2+]1 ZINC000662758733 417895450 /nfs/dbraw/zinc/89/54/50/417895450.db2.gz SGOAXYQUQRCTQO-KRWDZBQOSA-N 2 1 308.470 0.829 20 30 DCEDMP C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000652370581 417895650 /nfs/dbraw/zinc/89/56/50/417895650.db2.gz FLLIQJXEUFVOEN-BMFZPTHFSA-N 2 1 322.453 0.798 20 30 DCEDMP C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000652370581 417895655 /nfs/dbraw/zinc/89/56/55/417895655.db2.gz FLLIQJXEUFVOEN-BMFZPTHFSA-N 2 1 322.453 0.798 20 30 DCEDMP C=CC[C@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]1 ZINC000662766851 417896471 /nfs/dbraw/zinc/89/64/71/417896471.db2.gz NRSOKCVNLYKKDK-RHSMWYFYSA-N 2 1 320.437 0.108 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc2n1CCCCC2 ZINC000104156324 276377978 /nfs/dbraw/zinc/37/79/78/276377978.db2.gz CWQLPWYZWXETSZ-ZDUSSCGKSA-N 2 1 319.457 0.893 20 30 DCEDMP C[C@H](CNC(=O)NC1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000329670786 289394686 /nfs/dbraw/zinc/39/46/86/289394686.db2.gz RVAWJYFJAKYUTL-CQSZACIVSA-N 2 1 311.474 0.468 20 30 DCEDMP C=CCOc1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000564668755 332284015 /nfs/dbraw/zinc/28/40/15/332284015.db2.gz XAVYFMSROJSYSD-HOCLYGCPSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000564668755 332284016 /nfs/dbraw/zinc/28/40/16/332284016.db2.gz XAVYFMSROJSYSD-HOCLYGCPSA-N 2 1 301.390 0.995 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000491038332 339846640 /nfs/dbraw/zinc/84/66/40/339846640.db2.gz IXPFCUXKWIOANZ-UHFFFAOYSA-N 2 1 301.394 0.404 20 30 DCEDMP COc1ccccc1CNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000267412801 534078463 /nfs/dbraw/zinc/07/84/63/534078463.db2.gz INLXLRUGWAUQSQ-AWEZNQCLSA-N 2 1 305.426 0.345 20 30 DCEDMP COC(=O)[C@@H](C)C[NH+](C)CC#CC[N@H+](C)C[C@H](C)C(=O)OC ZINC000276297682 534210829 /nfs/dbraw/zinc/21/08/29/534210829.db2.gz JGYYQLWBTIVRFJ-KBPBESRZSA-N 2 1 312.410 0.472 20 30 DCEDMP C[NH+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC1CC1 ZINC000264076843 526354857 /nfs/dbraw/zinc/35/48/57/526354857.db2.gz SXMQYEYEENHDJW-UHFFFAOYSA-N 2 1 317.441 0.316 20 30 DCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)NC[C@@H]1CCCS1 ZINC000261963387 526356096 /nfs/dbraw/zinc/35/60/96/526356096.db2.gz KUORGQAXRGXLMV-AWEZNQCLSA-N 2 1 313.515 0.685 20 30 DCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261878149 526372707 /nfs/dbraw/zinc/37/27/07/526372707.db2.gz VYXOEMGEQKGZPX-MGPQQGTHSA-N 2 1 311.474 0.211 20 30 DCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261843717 526377856 /nfs/dbraw/zinc/37/78/56/526377856.db2.gz WWVIKNNAUJGKRU-HIFRSBDPSA-N 2 1 320.441 0.321 20 30 DCEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262788071 526392857 /nfs/dbraw/zinc/39/28/57/526392857.db2.gz MRVNAMBMBUGLBG-NSHDSACASA-N 2 1 303.414 0.126 20 30 DCEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262788071 526392860 /nfs/dbraw/zinc/39/28/60/526392860.db2.gz MRVNAMBMBUGLBG-NSHDSACASA-N 2 1 303.414 0.126 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978151857 660490876 /nfs/dbraw/zinc/49/08/76/660490876.db2.gz AGXKVUFSOYLWIN-VQHPVUNQSA-N 2 1 301.434 0.646 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001027929498 660935254 /nfs/dbraw/zinc/93/52/54/660935254.db2.gz GLFREOKZWWEPEZ-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001027929498 660935256 /nfs/dbraw/zinc/93/52/56/660935256.db2.gz GLFREOKZWWEPEZ-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027929498 660935257 /nfs/dbraw/zinc/93/52/57/660935257.db2.gz GLFREOKZWWEPEZ-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001027929498 660935259 /nfs/dbraw/zinc/93/52/59/660935259.db2.gz GLFREOKZWWEPEZ-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC000980454775 660945507 /nfs/dbraw/zinc/94/55/07/660945507.db2.gz YVXSJLCINMIURG-JKSUJKDBSA-N 2 1 305.422 0.263 20 30 DCEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981209018 661101406 /nfs/dbraw/zinc/10/14/06/661101406.db2.gz DLFLWHMJOJXPCO-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981209018 661101408 /nfs/dbraw/zinc/10/14/08/661101408.db2.gz DLFLWHMJOJXPCO-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981209018 661101409 /nfs/dbraw/zinc/10/14/09/661101409.db2.gz DLFLWHMJOJXPCO-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208505 661101699 /nfs/dbraw/zinc/10/16/99/661101699.db2.gz ALBXCHFHGJDIEB-CVEARBPZSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208505 661101700 /nfs/dbraw/zinc/10/17/00/661101700.db2.gz ALBXCHFHGJDIEB-CVEARBPZSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208505 661101702 /nfs/dbraw/zinc/10/17/02/661101702.db2.gz ALBXCHFHGJDIEB-CVEARBPZSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208505 661101703 /nfs/dbraw/zinc/10/17/03/661101703.db2.gz ALBXCHFHGJDIEB-CVEARBPZSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCOC)C2 ZINC000981818786 661222460 /nfs/dbraw/zinc/22/24/60/661222460.db2.gz DHPZGDPYTFFCJZ-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCOC)C2 ZINC000981818786 661222462 /nfs/dbraw/zinc/22/24/62/661222462.db2.gz DHPZGDPYTFFCJZ-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCOC)C2 ZINC000981818786 661222463 /nfs/dbraw/zinc/22/24/63/661222463.db2.gz DHPZGDPYTFFCJZ-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCOC)C2 ZINC000981818786 661222465 /nfs/dbraw/zinc/22/24/65/661222465.db2.gz DHPZGDPYTFFCJZ-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCOC)C2 ZINC000981818786 661222467 /nfs/dbraw/zinc/22/24/67/661222467.db2.gz DHPZGDPYTFFCJZ-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023115389 657525760 /nfs/dbraw/zinc/52/57/60/657525760.db2.gz JRJDYGNHOZTKJO-FRRDWIJNSA-N 2 1 301.818 0.696 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023115389 657525766 /nfs/dbraw/zinc/52/57/66/657525766.db2.gz JRJDYGNHOZTKJO-FRRDWIJNSA-N 2 1 301.818 0.696 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001022221110 657567699 /nfs/dbraw/zinc/56/76/99/657567699.db2.gz YAURDAQIEBCIRU-XHSDSOJGSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001022221110 657567700 /nfs/dbraw/zinc/56/77/00/657567700.db2.gz YAURDAQIEBCIRU-XHSDSOJGSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cscn2)C1 ZINC001022222271 657570751 /nfs/dbraw/zinc/57/07/51/657570751.db2.gz XESCQDRGGNZEOA-GUTXKFCHSA-N 2 1 318.446 0.978 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C[NH+](C)C)OCC)C1 ZINC000924037834 657675923 /nfs/dbraw/zinc/67/59/23/657675923.db2.gz VLYWHRZMYCACTO-HUUCEWRRSA-N 2 1 310.442 0.350 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C[NH+](C)C)OCC)C1 ZINC000924037834 657675927 /nfs/dbraw/zinc/67/59/27/657675927.db2.gz VLYWHRZMYCACTO-HUUCEWRRSA-N 2 1 310.442 0.350 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001023447077 657876277 /nfs/dbraw/zinc/87/62/77/657876277.db2.gz FIXMBKOBORANOX-CABCVRRESA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891921764 657917669 /nfs/dbraw/zinc/91/76/69/657917669.db2.gz VDTHPPVHOAZXOF-UHFFFAOYSA-N 2 1 310.442 0.399 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552281 657982479 /nfs/dbraw/zinc/98/24/79/657982479.db2.gz CMOAXAYIQWTJMN-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552281 657982484 /nfs/dbraw/zinc/98/24/84/657982484.db2.gz CMOAXAYIQWTJMN-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023552281 657982488 /nfs/dbraw/zinc/98/24/88/657982488.db2.gz CMOAXAYIQWTJMN-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968820 658104558 /nfs/dbraw/zinc/10/45/58/658104558.db2.gz IEVPDLMHHJRMKX-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971968820 658104565 /nfs/dbraw/zinc/10/45/65/658104565.db2.gz IEVPDLMHHJRMKX-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971968820 658104569 /nfs/dbraw/zinc/10/45/69/658104569.db2.gz IEVPDLMHHJRMKX-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001023757867 658210435 /nfs/dbraw/zinc/21/04/35/658210435.db2.gz PIACNYPSAITNQD-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023757867 658210443 /nfs/dbraw/zinc/21/04/43/658210443.db2.gz PIACNYPSAITNQD-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757867 658210449 /nfs/dbraw/zinc/21/04/49/658210449.db2.gz PIACNYPSAITNQD-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757867 658210454 /nfs/dbraw/zinc/21/04/54/658210454.db2.gz PIACNYPSAITNQD-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757867 658210461 /nfs/dbraw/zinc/21/04/61/658210461.db2.gz PIACNYPSAITNQD-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972674787 658227054 /nfs/dbraw/zinc/22/70/54/658227054.db2.gz SRFKTWMIXPTWCL-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972674787 658227064 /nfs/dbraw/zinc/22/70/64/658227064.db2.gz SRFKTWMIXPTWCL-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972674787 658227075 /nfs/dbraw/zinc/22/70/75/658227075.db2.gz SRFKTWMIXPTWCL-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972674787 658227084 /nfs/dbraw/zinc/22/70/84/658227084.db2.gz SRFKTWMIXPTWCL-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000972410726 658733949 /nfs/dbraw/zinc/73/39/49/658733949.db2.gz UMADXZVIMXFZGL-GOSISDBHSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000972410726 658733953 /nfs/dbraw/zinc/73/39/53/658733953.db2.gz UMADXZVIMXFZGL-GOSISDBHSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972410726 658733958 /nfs/dbraw/zinc/73/39/58/658733958.db2.gz UMADXZVIMXFZGL-GOSISDBHSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972410726 658733964 /nfs/dbraw/zinc/73/39/64/658733964.db2.gz UMADXZVIMXFZGL-GOSISDBHSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705722 665619414 /nfs/dbraw/zinc/61/94/14/665619414.db2.gz HGCSZWUIPFXNRE-GJZGRUSLSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022122206 658878412 /nfs/dbraw/zinc/87/84/12/658878412.db2.gz RAIVTHTYOWBEEX-XJFOESAGSA-N 2 1 313.829 0.839 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007493990 659135203 /nfs/dbraw/zinc/13/52/03/659135203.db2.gz WOPFFGKPFCVMNG-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007493990 659135205 /nfs/dbraw/zinc/13/52/05/659135205.db2.gz WOPFFGKPFCVMNG-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007493990 659135206 /nfs/dbraw/zinc/13/52/06/659135206.db2.gz WOPFFGKPFCVMNG-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007493990 659135208 /nfs/dbraw/zinc/13/52/08/659135208.db2.gz WOPFFGKPFCVMNG-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001027464813 659546188 /nfs/dbraw/zinc/54/61/88/659546188.db2.gz QQSGLZKXVXIYNC-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798624 659565696 /nfs/dbraw/zinc/56/56/96/659565696.db2.gz ATDLJUXFLGAFNF-OWYFMNJBSA-N 2 1 305.422 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798624 659565698 /nfs/dbraw/zinc/56/56/98/659565698.db2.gz ATDLJUXFLGAFNF-OWYFMNJBSA-N 2 1 305.422 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798624 659565703 /nfs/dbraw/zinc/56/57/03/659565703.db2.gz ATDLJUXFLGAFNF-OWYFMNJBSA-N 2 1 305.422 0.472 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H](C)F)C[C@H]21 ZINC001025814057 659575719 /nfs/dbraw/zinc/57/57/19/659575719.db2.gz KHQNOGFDMYQKLM-OWYFMNJBSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H](C)F)C[C@H]21 ZINC001025814057 659575726 /nfs/dbraw/zinc/57/57/26/659575726.db2.gz KHQNOGFDMYQKLM-OWYFMNJBSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@@H](C)F)C[C@H]21 ZINC001025814057 659575732 /nfs/dbraw/zinc/57/57/32/659575732.db2.gz KHQNOGFDMYQKLM-OWYFMNJBSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@@H](C)F)C[C@H]21 ZINC001025814057 659575738 /nfs/dbraw/zinc/57/57/38/659575738.db2.gz KHQNOGFDMYQKLM-OWYFMNJBSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000977635291 659791763 /nfs/dbraw/zinc/79/17/63/659791763.db2.gz AJCFZGRWJNHIOM-HOCLYGCPSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150398 661298427 /nfs/dbraw/zinc/29/84/27/661298427.db2.gz DWOYPUTUFFMUKD-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](CC)CN2CCOCC2)C1 ZINC000924034930 661390224 /nfs/dbraw/zinc/39/02/24/661390224.db2.gz GFDHOCNKCWLAKW-JKSUJKDBSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001028333177 661462141 /nfs/dbraw/zinc/46/21/41/661462141.db2.gz FHGKWGYKYXJVNW-QGZVFWFLSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@]2(C)C1 ZINC000982819600 661682530 /nfs/dbraw/zinc/68/25/30/661682530.db2.gz HKKFCVWEWQOZSQ-RYQLBKOJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982819600 661682534 /nfs/dbraw/zinc/68/25/34/661682534.db2.gz HKKFCVWEWQOZSQ-RYQLBKOJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982819600 661682536 /nfs/dbraw/zinc/68/25/36/661682536.db2.gz HKKFCVWEWQOZSQ-RYQLBKOJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982819600 661682537 /nfs/dbraw/zinc/68/25/37/661682537.db2.gz HKKFCVWEWQOZSQ-RYQLBKOJSA-N 2 1 319.449 0.511 20 30 DCEDMP CC[NH+]=C(NCc1nc(C)no1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261819950 661727540 /nfs/dbraw/zinc/72/75/40/661727540.db2.gz UJMDMHZWYHMTGO-GXFFZTMASA-N 2 1 306.414 0.916 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000985599834 662490600 /nfs/dbraw/zinc/49/06/00/662490600.db2.gz DITGLSPZQYRLHR-MRXNPFEDSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000985599834 662490601 /nfs/dbraw/zinc/49/06/01/662490601.db2.gz DITGLSPZQYRLHR-MRXNPFEDSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985599834 662490602 /nfs/dbraw/zinc/49/06/02/662490602.db2.gz DITGLSPZQYRLHR-MRXNPFEDSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985599834 662490603 /nfs/dbraw/zinc/49/06/03/662490603.db2.gz DITGLSPZQYRLHR-MRXNPFEDSA-N 2 1 307.438 0.652 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2CC)CC1 ZINC000897674892 662920071 /nfs/dbraw/zinc/92/00/71/662920071.db2.gz KZFXDCXRBRBBKS-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2CC)CC1 ZINC000897674892 662920072 /nfs/dbraw/zinc/92/00/72/662920072.db2.gz KZFXDCXRBRBBKS-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)CC2(C)C)CC1 ZINC000941237572 665954677 /nfs/dbraw/zinc/95/46/77/665954677.db2.gz PDMFRMTXFTXJOZ-MRXNPFEDSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529906 665312298 /nfs/dbraw/zinc/31/22/98/665312298.db2.gz ZYDSVHSBEOKYQW-BFKWJSRZSA-N 2 1 315.417 0.158 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529906 665312299 /nfs/dbraw/zinc/31/22/99/665312299.db2.gz ZYDSVHSBEOKYQW-BFKWJSRZSA-N 2 1 315.417 0.158 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529906 665312300 /nfs/dbraw/zinc/31/23/00/665312300.db2.gz ZYDSVHSBEOKYQW-BFKWJSRZSA-N 2 1 315.417 0.158 20 30 DCEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001251316 666023269 /nfs/dbraw/zinc/02/32/69/666023269.db2.gz CWRUNRWPNUYXKR-UHFFFAOYSA-N 2 1 317.437 0.993 20 30 DCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031977205 666075622 /nfs/dbraw/zinc/07/56/22/666075622.db2.gz AUIQWUVGEYTSLP-OAHLLOKOSA-N 2 1 300.406 0.825 20 30 DCEDMP CC#CC[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032042470 666208828 /nfs/dbraw/zinc/20/88/28/666208828.db2.gz AZDZOOPQDVTCLP-UHFFFAOYSA-N 2 1 303.410 0.130 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](C)OC)CC1 ZINC001003057322 666266667 /nfs/dbraw/zinc/26/66/67/666266667.db2.gz YAOJBTRRXMNAMH-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](C)OC)CC1 ZINC001003057322 666266668 /nfs/dbraw/zinc/26/66/68/666266668.db2.gz YAOJBTRRXMNAMH-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278130 666658949 /nfs/dbraw/zinc/65/89/49/666658949.db2.gz MDNIVWLPLMVGHN-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278130 666658950 /nfs/dbraw/zinc/65/89/50/666658950.db2.gz MDNIVWLPLMVGHN-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278130 666658952 /nfs/dbraw/zinc/65/89/52/666658952.db2.gz MDNIVWLPLMVGHN-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000996669260 666855838 /nfs/dbraw/zinc/85/58/38/666855838.db2.gz GJWOFSLIVASYIV-MRXNPFEDSA-N 2 1 319.453 0.970 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001034045760 666907052 /nfs/dbraw/zinc/90/70/52/666907052.db2.gz MQDCDSUXFUUBCX-QGZVFWFLSA-N 2 1 301.434 0.888 20 30 DCEDMP CC[NH+]=C(NC[C@@H](O)C(F)(F)F)NC[C@@H]1CCC[N@H+]1CC ZINC000864236618 667226180 /nfs/dbraw/zinc/22/61/80/667226180.db2.gz RDAOTYAASZVGOT-WDEREUQCSA-N 2 1 310.364 0.949 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001032473424 667296970 /nfs/dbraw/zinc/29/69/70/667296970.db2.gz QBPWQSMNYYUUMO-FXUDXRNXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001032473424 667296972 /nfs/dbraw/zinc/29/69/72/667296972.db2.gz QBPWQSMNYYUUMO-FXUDXRNXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001032473424 667296974 /nfs/dbraw/zinc/29/69/74/667296974.db2.gz QBPWQSMNYYUUMO-FXUDXRNXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473424 667296977 /nfs/dbraw/zinc/29/69/77/667296977.db2.gz QBPWQSMNYYUUMO-FXUDXRNXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001035421989 667329047 /nfs/dbraw/zinc/32/90/47/667329047.db2.gz CPFADRFPTASLIZ-CQSZACIVSA-N 2 1 322.409 0.743 20 30 DCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001035421989 667329049 /nfs/dbraw/zinc/32/90/49/667329049.db2.gz CPFADRFPTASLIZ-CQSZACIVSA-N 2 1 322.409 0.743 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001035482940 667354831 /nfs/dbraw/zinc/35/48/31/667354831.db2.gz FMUQLGHBQZKOIV-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035482940 667354833 /nfs/dbraw/zinc/35/48/33/667354833.db2.gz FMUQLGHBQZKOIV-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482940 667354835 /nfs/dbraw/zinc/35/48/35/667354835.db2.gz FMUQLGHBQZKOIV-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482940 667354836 /nfs/dbraw/zinc/35/48/36/667354836.db2.gz FMUQLGHBQZKOIV-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000884161772 667487403 /nfs/dbraw/zinc/48/74/03/667487403.db2.gz MQPLFJWWTFMGSM-HUUCEWRRSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000884161772 667487406 /nfs/dbraw/zinc/48/74/06/667487406.db2.gz MQPLFJWWTFMGSM-HUUCEWRRSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000884161772 667487408 /nfs/dbraw/zinc/48/74/08/667487408.db2.gz MQPLFJWWTFMGSM-HUUCEWRRSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000884161772 667487410 /nfs/dbraw/zinc/48/74/10/667487410.db2.gz MQPLFJWWTFMGSM-HUUCEWRRSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884197731 667495347 /nfs/dbraw/zinc/49/53/47/667495347.db2.gz CRELHUYXIZJVMJ-LSDHHAIUSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884197731 667495349 /nfs/dbraw/zinc/49/53/49/667495349.db2.gz CRELHUYXIZJVMJ-LSDHHAIUSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884197731 667495351 /nfs/dbraw/zinc/49/53/51/667495351.db2.gz CRELHUYXIZJVMJ-LSDHHAIUSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000884197731 667495354 /nfs/dbraw/zinc/49/53/54/667495354.db2.gz CRELHUYXIZJVMJ-LSDHHAIUSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000884197731 667495357 /nfs/dbraw/zinc/49/53/57/667495357.db2.gz CRELHUYXIZJVMJ-LSDHHAIUSA-N 2 1 304.438 0.868 20 30 DCEDMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884198815 667496167 /nfs/dbraw/zinc/49/61/67/667496167.db2.gz HUHSFUCDWUKQEV-GJEMEMOUSA-N 2 1 304.438 0.972 20 30 DCEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C[NH+]1CCOCC1 ZINC000884205869 667498396 /nfs/dbraw/zinc/49/83/96/667498396.db2.gz HRRNMGNIEUFENH-HCEZTOJASA-N 2 1 320.437 0.210 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000923556722 667563096 /nfs/dbraw/zinc/56/30/96/667563096.db2.gz YWLIEQFBSQQSED-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000923556722 667563097 /nfs/dbraw/zinc/56/30/97/667563097.db2.gz YWLIEQFBSQQSED-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885870123 667714526 /nfs/dbraw/zinc/71/45/26/667714526.db2.gz YNWUBHQMLNVXEA-CVEARBPZSA-N 2 1 305.422 0.454 20 30 DCEDMP N#Cc1cccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)c1 ZINC000872257151 667882638 /nfs/dbraw/zinc/88/26/38/667882638.db2.gz LWUKVPDYZPRCND-HRCADAONSA-N 2 1 312.373 0.925 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000950381054 670012745 /nfs/dbraw/zinc/01/27/45/670012745.db2.gz HNKDJLHHLLTESQ-ZBFHGGJFSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000950381054 670012746 /nfs/dbraw/zinc/01/27/46/670012746.db2.gz HNKDJLHHLLTESQ-ZBFHGGJFSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269654 670091088 /nfs/dbraw/zinc/09/10/88/670091088.db2.gz QCPGBNVSLNVZJG-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269654 670091094 /nfs/dbraw/zinc/09/10/94/670091094.db2.gz QCPGBNVSLNVZJG-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948269654 670091096 /nfs/dbraw/zinc/09/10/96/670091096.db2.gz QCPGBNVSLNVZJG-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269654 670091102 /nfs/dbraw/zinc/09/11/02/670091102.db2.gz QCPGBNVSLNVZJG-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000949381464 670327665 /nfs/dbraw/zinc/32/76/65/670327665.db2.gz UHRVQMZBQWCHMT-CKDBGZEDSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949381464 670327669 /nfs/dbraw/zinc/32/76/69/670327669.db2.gz UHRVQMZBQWCHMT-CKDBGZEDSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526163 670361966 /nfs/dbraw/zinc/36/19/66/670361966.db2.gz HCTSZOZTTBCCKS-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526163 670361970 /nfs/dbraw/zinc/36/19/70/670361970.db2.gz HCTSZOZTTBCCKS-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526163 670361975 /nfs/dbraw/zinc/36/19/75/670361975.db2.gz HCTSZOZTTBCCKS-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCNC(=S)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817566879 670924989 /nfs/dbraw/zinc/92/49/89/670924989.db2.gz QNDVHXMURUZCOW-UHFFFAOYSA-N 2 1 308.495 0.986 20 30 DCEDMP C#CCNC(=S)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817566879 670924991 /nfs/dbraw/zinc/92/49/91/670924991.db2.gz QNDVHXMURUZCOW-UHFFFAOYSA-N 2 1 308.495 0.986 20 30 DCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000819062782 671091513 /nfs/dbraw/zinc/09/15/13/671091513.db2.gz SWASCYPVHWJJBW-SJORKVTESA-N 2 1 324.469 0.426 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000852855020 671174962 /nfs/dbraw/zinc/17/49/62/671174962.db2.gz UERCVAZTHRZVAV-MRXNPFEDSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000820196688 671177347 /nfs/dbraw/zinc/17/73/47/671177347.db2.gz HHIQLIKNUIDJIT-JKSUJKDBSA-N 2 1 305.422 0.454 20 30 DCEDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852886903 671186292 /nfs/dbraw/zinc/18/62/92/671186292.db2.gz ZCRPJXHFZRPXPN-UHFFFAOYSA-N 2 1 321.465 0.806 20 30 DCEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000852888168 671186934 /nfs/dbraw/zinc/18/69/34/671186934.db2.gz UECWDAYAEJBUSR-CQSZACIVSA-N 2 1 321.421 0.085 20 30 DCEDMP COC(=O)CC[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000852888168 671186938 /nfs/dbraw/zinc/18/69/38/671186938.db2.gz UECWDAYAEJBUSR-CQSZACIVSA-N 2 1 321.421 0.085 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@@H](C)O)CC1 ZINC001024812403 693836190 /nfs/dbraw/zinc/83/61/90/693836190.db2.gz OJHNPWQBAFMATF-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC[C@H]1CCOC1 ZINC000304761834 685212254 /nfs/dbraw/zinc/21/22/54/685212254.db2.gz UYSGLZSNGIUSKL-HUUCEWRRSA-N 2 1 312.458 0.818 20 30 DCEDMP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000304824669 685212317 /nfs/dbraw/zinc/21/23/17/685212317.db2.gz FWSRGSPZAVMTTA-GJZGRUSLSA-N 3 1 313.490 0.732 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038259848 694028957 /nfs/dbraw/zinc/02/89/57/694028957.db2.gz KOUSYUCKOIOFQM-AWEZNQCLSA-N 2 1 305.426 0.825 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038259848 694028962 /nfs/dbraw/zinc/02/89/62/694028962.db2.gz KOUSYUCKOIOFQM-AWEZNQCLSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC000958724589 687878376 /nfs/dbraw/zinc/87/83/76/687878376.db2.gz QMQMDYXJNNMNSC-IRXDYDNUSA-N 2 1 319.449 0.317 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000960348234 688355951 /nfs/dbraw/zinc/35/59/51/688355951.db2.gz RHBPHGZGSQGVST-VVLHAWIVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000960348234 688355956 /nfs/dbraw/zinc/35/59/56/688355956.db2.gz RHBPHGZGSQGVST-VVLHAWIVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC000960348234 688355961 /nfs/dbraw/zinc/35/59/61/688355961.db2.gz RHBPHGZGSQGVST-VVLHAWIVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC000960348234 688355967 /nfs/dbraw/zinc/35/59/67/688355967.db2.gz RHBPHGZGSQGVST-VVLHAWIVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000960653482 688432113 /nfs/dbraw/zinc/43/21/13/688432113.db2.gz ZRVSRFCUBVSNDI-SZOQZIPDSA-N 2 1 312.417 0.893 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC000960653482 688432117 /nfs/dbraw/zinc/43/21/17/688432117.db2.gz ZRVSRFCUBVSNDI-SZOQZIPDSA-N 2 1 312.417 0.893 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC000960653482 688432120 /nfs/dbraw/zinc/43/21/20/688432120.db2.gz ZRVSRFCUBVSNDI-SZOQZIPDSA-N 2 1 312.417 0.893 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC000961583259 688662153 /nfs/dbraw/zinc/66/21/53/688662153.db2.gz UIHULCSQPKVCFJ-XUWVNRHRSA-N 2 1 305.422 0.165 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961583259 688662160 /nfs/dbraw/zinc/66/21/60/688662160.db2.gz UIHULCSQPKVCFJ-XUWVNRHRSA-N 2 1 305.422 0.165 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000961583259 688662163 /nfs/dbraw/zinc/66/21/63/688662163.db2.gz UIHULCSQPKVCFJ-XUWVNRHRSA-N 2 1 305.422 0.165 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000961583259 688662165 /nfs/dbraw/zinc/66/21/65/688662165.db2.gz UIHULCSQPKVCFJ-XUWVNRHRSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000968907061 690420967 /nfs/dbraw/zinc/42/09/67/690420967.db2.gz CYUWWHOOUDGBIB-ZBFHGGJFSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000968952149 690433476 /nfs/dbraw/zinc/43/34/76/690433476.db2.gz BQUAWCMFOZUXOZ-SJORKVTESA-N 2 1 312.417 0.870 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000968952149 690433477 /nfs/dbraw/zinc/43/34/77/690433477.db2.gz BQUAWCMFOZUXOZ-SJORKVTESA-N 2 1 312.417 0.870 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007987489 690784128 /nfs/dbraw/zinc/78/41/28/690784128.db2.gz CDAAHWDCUVJOIH-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007987489 690784132 /nfs/dbraw/zinc/78/41/32/690784132.db2.gz CDAAHWDCUVJOIH-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007987489 690784136 /nfs/dbraw/zinc/78/41/36/690784136.db2.gz CDAAHWDCUVJOIH-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007987490 690784213 /nfs/dbraw/zinc/78/42/13/690784213.db2.gz CDAAHWDCUVJOIH-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007987490 690784216 /nfs/dbraw/zinc/78/42/16/690784216.db2.gz CDAAHWDCUVJOIH-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007987490 690784221 /nfs/dbraw/zinc/78/42/21/690784221.db2.gz CDAAHWDCUVJOIH-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014474862 692027598 /nfs/dbraw/zinc/02/75/98/692027598.db2.gz WOWRPGAYZCKSRB-ZACQAIPSSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014474862 692027602 /nfs/dbraw/zinc/02/76/02/692027602.db2.gz WOWRPGAYZCKSRB-ZACQAIPSSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015307091 692258978 /nfs/dbraw/zinc/25/89/78/692258978.db2.gz NCWGLATVKFVKJV-CQSZACIVSA-N 2 1 300.406 0.976 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015307091 692258981 /nfs/dbraw/zinc/25/89/81/692258981.db2.gz NCWGLATVKFVKJV-CQSZACIVSA-N 2 1 300.406 0.976 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621610 692367954 /nfs/dbraw/zinc/36/79/54/692367954.db2.gz HMFPTGQTBZLUFI-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621610 692367956 /nfs/dbraw/zinc/36/79/56/692367956.db2.gz HMFPTGQTBZLUFI-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015827043 692458749 /nfs/dbraw/zinc/45/87/49/692458749.db2.gz MANFJGNMWTZTTR-OAHLLOKOSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001016330475 692654634 /nfs/dbraw/zinc/65/46/34/692654634.db2.gz GSECATUKCQYXEU-NVXWUHKLSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016553908 692718872 /nfs/dbraw/zinc/71/88/72/692718872.db2.gz VIGBHJNYCPGIQS-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553908 692718878 /nfs/dbraw/zinc/71/88/78/692718878.db2.gz VIGBHJNYCPGIQS-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016987799 692821996 /nfs/dbraw/zinc/82/19/96/692821996.db2.gz VFRUTKVJWFNTGS-LSDHHAIUSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016987799 692821999 /nfs/dbraw/zinc/82/19/99/692821999.db2.gz VFRUTKVJWFNTGS-LSDHHAIUSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001018878678 693272561 /nfs/dbraw/zinc/27/25/61/693272561.db2.gz PIPVOLHFBMWMPM-SWLSCSKDSA-N 2 1 301.394 0.614 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001018878678 693272564 /nfs/dbraw/zinc/27/25/64/693272564.db2.gz PIPVOLHFBMWMPM-SWLSCSKDSA-N 2 1 301.394 0.614 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cncn2C)C1 ZINC001018985967 693306858 /nfs/dbraw/zinc/30/68/58/693306858.db2.gz OHJTWQOWHADEKU-HOCLYGCPSA-N 2 1 315.421 0.208 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cncn2C)C1 ZINC001018985967 693306864 /nfs/dbraw/zinc/30/68/64/693306864.db2.gz OHJTWQOWHADEKU-HOCLYGCPSA-N 2 1 315.421 0.208 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661692 694761529 /nfs/dbraw/zinc/76/15/29/694761529.db2.gz BSSQWVFYEJZVKO-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073661692 694761530 /nfs/dbraw/zinc/76/15/30/694761530.db2.gz BSSQWVFYEJZVKO-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001073661692 694761531 /nfs/dbraw/zinc/76/15/31/694761531.db2.gz BSSQWVFYEJZVKO-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001073898954 694798500 /nfs/dbraw/zinc/79/85/00/694798500.db2.gz HNJHFJAYWYFRKT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073898954 694798505 /nfs/dbraw/zinc/79/85/05/694798505.db2.gz HNJHFJAYWYFRKT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073898954 694798506 /nfs/dbraw/zinc/79/85/06/694798506.db2.gz HNJHFJAYWYFRKT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073898954 694798507 /nfs/dbraw/zinc/79/85/07/694798507.db2.gz HNJHFJAYWYFRKT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076361712 695016750 /nfs/dbraw/zinc/01/67/50/695016750.db2.gz IAAJEQSRYRKXTO-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076361712 695016751 /nfs/dbraw/zinc/01/67/51/695016751.db2.gz IAAJEQSRYRKXTO-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999468 695122136 /nfs/dbraw/zinc/12/21/36/695122136.db2.gz SUIIYSVNQTUYOK-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001570530298 1162537071 /nfs/dbraw/zinc/53/70/71/1162537071.db2.gz IORHMPIIGPSSBX-OAHLLOKOSA-N 2 1 317.437 0.614 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001570805742 1162623618 /nfs/dbraw/zinc/62/36/18/1162623618.db2.gz JEAJTINOOVRKMR-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCCOC)C1 ZINC001570843158 1162632353 /nfs/dbraw/zinc/63/23/53/1162632353.db2.gz CRQJWLCLSUYAIP-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCCOC)C1 ZINC001570843158 1162632354 /nfs/dbraw/zinc/63/23/54/1162632354.db2.gz CRQJWLCLSUYAIP-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001571563402 1162813298 /nfs/dbraw/zinc/81/32/98/1162813298.db2.gz JITWNDQLGUWGSH-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001571600576 1162845575 /nfs/dbraw/zinc/84/55/75/1162845575.db2.gz VAFHVJSSRKQEBD-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001571600576 1162845580 /nfs/dbraw/zinc/84/55/80/1162845580.db2.gz VAFHVJSSRKQEBD-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001571600576 1162845589 /nfs/dbraw/zinc/84/55/89/1162845589.db2.gz VAFHVJSSRKQEBD-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001571600576 1162845595 /nfs/dbraw/zinc/84/55/95/1162845595.db2.gz VAFHVJSSRKQEBD-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCOC ZINC001571640714 1162871847 /nfs/dbraw/zinc/87/18/47/1162871847.db2.gz DYDMDVHZBXVCMZ-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCOC ZINC001571640714 1162871860 /nfs/dbraw/zinc/87/18/60/1162871860.db2.gz DYDMDVHZBXVCMZ-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001754777828 1157858828 /nfs/dbraw/zinc/85/88/28/1157858828.db2.gz DIFASZFFLWXCAS-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691528983 1158216916 /nfs/dbraw/zinc/21/69/16/1158216916.db2.gz VMOSFHFYCBBGMD-DLBZAZTESA-N 2 1 319.449 0.247 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001566550289 1160052629 /nfs/dbraw/zinc/05/26/29/1160052629.db2.gz GNRMCZNHDXHPHB-KRWDZBQOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001567202755 1160272009 /nfs/dbraw/zinc/27/20/09/1160272009.db2.gz KCCIGUJFBLKQTJ-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001567721005 1160464360 /nfs/dbraw/zinc/46/43/60/1160464360.db2.gz RQWUIJUYMVLFGL-UHFFFAOYSA-N 2 1 318.465 0.182 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001568277370 1160619044 /nfs/dbraw/zinc/61/90/44/1160619044.db2.gz WUJTZQYRBVUOIJ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001569577345 1161154470 /nfs/dbraw/zinc/15/44/70/1161154470.db2.gz OMZVBSUAONUHBQ-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001569757173 1161228663 /nfs/dbraw/zinc/22/86/63/1161228663.db2.gz CNQSQTWRLCZIFR-RHSMWYFYSA-N 2 1 318.421 0.493 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001569757173 1161228665 /nfs/dbraw/zinc/22/86/65/1161228665.db2.gz CNQSQTWRLCZIFR-RHSMWYFYSA-N 2 1 318.421 0.493 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001570200917 1161491179 /nfs/dbraw/zinc/49/11/79/1161491179.db2.gz LLJRMCZWQKVJKP-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001570200917 1161491189 /nfs/dbraw/zinc/49/11/89/1161491189.db2.gz LLJRMCZWQKVJKP-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001570200917 1161491195 /nfs/dbraw/zinc/49/11/95/1161491195.db2.gz LLJRMCZWQKVJKP-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001570289184 1161546553 /nfs/dbraw/zinc/54/65/53/1161546553.db2.gz JPCBIHYVKDFTRU-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC001574603840 1163734423 /nfs/dbraw/zinc/73/44/23/1163734423.db2.gz GAVPPSZXLPDMNX-KRWDZBQOSA-N 2 1 310.401 0.816 20 30 DCEDMP N#Cc1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cs1 ZINC001580061983 1165489261 /nfs/dbraw/zinc/48/92/61/1165489261.db2.gz RLPSQZGUSNNRHZ-BNOWGMLFSA-N 2 1 318.402 0.987 20 30 DCEDMP N#Cc1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cs1 ZINC001580061983 1165489266 /nfs/dbraw/zinc/48/92/66/1165489266.db2.gz RLPSQZGUSNNRHZ-BNOWGMLFSA-N 2 1 318.402 0.987 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001656784005 1173885015 /nfs/dbraw/zinc/88/50/15/1173885015.db2.gz IGRJVINJHODXGQ-MRXNPFEDSA-N 2 1 321.465 0.944 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001657076409 1173905205 /nfs/dbraw/zinc/90/52/05/1173905205.db2.gz WODFEBRACJWLQX-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CCO)C2CC2)CC1 ZINC001660753220 1174044486 /nfs/dbraw/zinc/04/44/86/1174044486.db2.gz OUXAXTWHSJDGIY-UHFFFAOYSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001662361437 1174203097 /nfs/dbraw/zinc/20/30/97/1174203097.db2.gz DIMFTFAZWTXGTR-AWEZNQCLSA-N 2 1 306.410 0.716 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001662492849 1174213503 /nfs/dbraw/zinc/21/35/03/1174213503.db2.gz YJHHDTIJHLHIEM-SOUVJXGZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662685172 1174231399 /nfs/dbraw/zinc/23/13/99/1174231399.db2.gz DAFUIOGLXKIRBG-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662686068 1174231778 /nfs/dbraw/zinc/23/17/78/1174231778.db2.gz VQFNFQRULLHVFJ-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001665080742 1174479646 /nfs/dbraw/zinc/47/96/46/1174479646.db2.gz HSVGOYQZHZCPGP-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001665080742 1174479648 /nfs/dbraw/zinc/47/96/48/1174479648.db2.gz HSVGOYQZHZCPGP-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001666748252 1174634809 /nfs/dbraw/zinc/63/48/09/1174634809.db2.gz YCCVYAFLSLYNGG-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001667346215 1174677384 /nfs/dbraw/zinc/67/73/84/1174677384.db2.gz OMWKNCGEKRURFN-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001668381850 1174789531 /nfs/dbraw/zinc/78/95/31/1174789531.db2.gz MBITYOJYFZDGJG-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001668533728 1174807028 /nfs/dbraw/zinc/80/70/28/1174807028.db2.gz PFJDALDLPLXAML-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[NH2+]CCCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001670100056 1174981542 /nfs/dbraw/zinc/98/15/42/1174981542.db2.gz OJOYNRQELIEKQB-OAHLLOKOSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CC[NH2+]CCCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001670100056 1174981549 /nfs/dbraw/zinc/98/15/49/1174981549.db2.gz OJOYNRQELIEKQB-OAHLLOKOSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001673397239 1175200237 /nfs/dbraw/zinc/20/02/37/1175200237.db2.gz PRVCRVHCOKSTKD-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001676074434 1175417753 /nfs/dbraw/zinc/41/77/53/1175417753.db2.gz MPUKXSKSMWLFAZ-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001676074434 1175417764 /nfs/dbraw/zinc/41/77/64/1175417764.db2.gz MPUKXSKSMWLFAZ-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001689793585 1177044910 /nfs/dbraw/zinc/04/49/10/1177044910.db2.gz PIWVQCFMHKXOTR-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001689793585 1177044919 /nfs/dbraw/zinc/04/49/19/1177044919.db2.gz PIWVQCFMHKXOTR-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001689793585 1177044925 /nfs/dbraw/zinc/04/49/25/1177044925.db2.gz PIWVQCFMHKXOTR-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001692131579 1177422246 /nfs/dbraw/zinc/42/22/46/1177422246.db2.gz DWFVXPZFOPHUQZ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001698579938 1177567316 /nfs/dbraw/zinc/56/73/16/1177567316.db2.gz ZFCKDLHOIZBJSL-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001698650906 1177600540 /nfs/dbraw/zinc/60/05/40/1177600540.db2.gz FBMNRJIGGXUTEP-QAPCUYQASA-N 2 1 321.465 0.853 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001699590854 1178209125 /nfs/dbraw/zinc/20/91/25/1178209125.db2.gz WWLSHNXODIWGRX-GDBMZVCRSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001699878047 1178327779 /nfs/dbraw/zinc/32/77/79/1178327779.db2.gz LFFIERAESFISAI-SFHVURJKSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001699878047 1178327786 /nfs/dbraw/zinc/32/77/86/1178327786.db2.gz LFFIERAESFISAI-SFHVURJKSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC001699884704 1178330508 /nfs/dbraw/zinc/33/05/08/1178330508.db2.gz NUVZAWSWXYFJRF-UHFFFAOYSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001700356468 1178595053 /nfs/dbraw/zinc/59/50/53/1178595053.db2.gz PIXXDZJXZWHWDS-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001700356468 1178595057 /nfs/dbraw/zinc/59/50/57/1178595057.db2.gz PIXXDZJXZWHWDS-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001700356468 1178595062 /nfs/dbraw/zinc/59/50/62/1178595062.db2.gz PIXXDZJXZWHWDS-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001700853593 1178779403 /nfs/dbraw/zinc/77/94/03/1178779403.db2.gz KIVICZUQZBYZAU-DZGCQCFKSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707208614 1180434046 /nfs/dbraw/zinc/43/40/46/1180434046.db2.gz LYGZMLUEJYEGSH-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001713182551 1180710244 /nfs/dbraw/zinc/71/02/44/1180710244.db2.gz OOBFUSRAPIEVRH-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001714884376 1181585432 /nfs/dbraw/zinc/58/54/32/1181585432.db2.gz YTJCUACTYVWFTF-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714898832 1181594120 /nfs/dbraw/zinc/59/41/20/1181594120.db2.gz YYPGVSKHXGYDLE-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001714898832 1181594124 /nfs/dbraw/zinc/59/41/24/1181594124.db2.gz YYPGVSKHXGYDLE-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001714898832 1181594134 /nfs/dbraw/zinc/59/41/34/1181594134.db2.gz YYPGVSKHXGYDLE-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001715189422 1181711822 /nfs/dbraw/zinc/71/18/22/1181711822.db2.gz GCUURTZIGXFCIF-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001715214146 1181718446 /nfs/dbraw/zinc/71/84/46/1181718446.db2.gz PNTPIVJOQUWTKC-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001716098649 1182189343 /nfs/dbraw/zinc/18/93/43/1182189343.db2.gz HVDDMYHCPUOVHM-HIFRSBDPSA-N 2 1 306.410 0.397 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001716495940 1182413407 /nfs/dbraw/zinc/41/34/07/1182413407.db2.gz LFCKXQJQPXLQMC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001716495940 1182413411 /nfs/dbraw/zinc/41/34/11/1182413411.db2.gz LFCKXQJQPXLQMC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716495940 1182413413 /nfs/dbraw/zinc/41/34/13/1182413413.db2.gz LFCKXQJQPXLQMC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001716495940 1182413417 /nfs/dbraw/zinc/41/34/17/1182413417.db2.gz LFCKXQJQPXLQMC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001716770716 1182519708 /nfs/dbraw/zinc/51/97/08/1182519708.db2.gz MIGRXQHYXKROOI-HOCLYGCPSA-N 2 1 318.421 0.810 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001717022975 1182629115 /nfs/dbraw/zinc/62/91/15/1182629115.db2.gz JJDOTEKENDUONI-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001717022975 1182629118 /nfs/dbraw/zinc/62/91/18/1182629118.db2.gz JJDOTEKENDUONI-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001717022975 1182629122 /nfs/dbraw/zinc/62/91/22/1182629122.db2.gz JJDOTEKENDUONI-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001717022975 1182629125 /nfs/dbraw/zinc/62/91/25/1182629125.db2.gz JJDOTEKENDUONI-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001717023918 1182630357 /nfs/dbraw/zinc/63/03/57/1182630357.db2.gz ZHXSALVFLIVNFQ-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001717023918 1182630361 /nfs/dbraw/zinc/63/03/61/1182630361.db2.gz ZHXSALVFLIVNFQ-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001717023918 1182630364 /nfs/dbraw/zinc/63/03/64/1182630364.db2.gz ZHXSALVFLIVNFQ-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001717023918 1182630365 /nfs/dbraw/zinc/63/03/65/1182630365.db2.gz ZHXSALVFLIVNFQ-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001717181368 1182714865 /nfs/dbraw/zinc/71/48/65/1182714865.db2.gz LZEIDPAUYUEIJN-OAHLLOKOSA-N 2 1 311.426 0.102 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCC[NH+](C)C)O2 ZINC001717223872 1182739282 /nfs/dbraw/zinc/73/92/82/1182739282.db2.gz ACPALHVCHJUQKG-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001717519310 1182879691 /nfs/dbraw/zinc/87/96/91/1182879691.db2.gz SYMCLNRLUQYEHI-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001717989828 1183097897 /nfs/dbraw/zinc/09/78/97/1183097897.db2.gz LXBLKUOINPCLDA-NRXISQOPSA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001717989828 1183097905 /nfs/dbraw/zinc/09/79/05/1183097905.db2.gz LXBLKUOINPCLDA-NRXISQOPSA-N 2 1 311.426 0.099 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001724109052 1184377163 /nfs/dbraw/zinc/37/71/63/1184377163.db2.gz JDFDWTHAUOWAQT-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001724109052 1184377168 /nfs/dbraw/zinc/37/71/68/1184377168.db2.gz JDFDWTHAUOWAQT-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001724334738 1184410221 /nfs/dbraw/zinc/41/02/21/1184410221.db2.gz VSAFLPPHVXOUIW-QGZVFWFLSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724402671 1184432428 /nfs/dbraw/zinc/43/24/28/1184432428.db2.gz RIVKTSFODXCHCJ-QGZVFWFLSA-N 2 1 305.422 0.049 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC001725004892 1184653487 /nfs/dbraw/zinc/65/34/87/1184653487.db2.gz FRYCNGXLKVGORI-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC001725004892 1184653492 /nfs/dbraw/zinc/65/34/92/1184653492.db2.gz FRYCNGXLKVGORI-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001725063764 1184672511 /nfs/dbraw/zinc/67/25/11/1184672511.db2.gz DRKNXWMSFIMOSA-SJJHQCBESA-N 2 1 321.465 0.851 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001725286497 1184754918 /nfs/dbraw/zinc/75/49/18/1184754918.db2.gz FWXZZNBIWFQHAK-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001725286497 1184754923 /nfs/dbraw/zinc/75/49/23/1184754923.db2.gz FWXZZNBIWFQHAK-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001725320047 1184767349 /nfs/dbraw/zinc/76/73/49/1184767349.db2.gz BAXITBASARNWJY-HOCLYGCPSA-N 2 1 318.421 0.810 20 30 DCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001725724349 1184975458 /nfs/dbraw/zinc/97/54/58/1184975458.db2.gz RTZCIFJHSOWDMQ-INIZCTEOSA-N 2 1 320.437 0.746 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001725724349 1184975464 /nfs/dbraw/zinc/97/54/64/1184975464.db2.gz RTZCIFJHSOWDMQ-INIZCTEOSA-N 2 1 320.437 0.746 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001731383758 1185311704 /nfs/dbraw/zinc/31/17/04/1185311704.db2.gz VJRXYJSBYXFSOK-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001731445739 1185335985 /nfs/dbraw/zinc/33/59/85/1185335985.db2.gz BBJOBSGECYEXGD-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001731760411 1185473244 /nfs/dbraw/zinc/47/32/44/1185473244.db2.gz DFRHHHLYFACXRT-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732131398 1185690115 /nfs/dbraw/zinc/69/01/15/1185690115.db2.gz NXCBQQVUQKLYBN-ZDUSSCGKSA-N 2 1 322.453 0.067 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733487380 1186296125 /nfs/dbraw/zinc/29/61/25/1186296125.db2.gz TZLUMSFSOBLPFS-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC#CCOC)C1 ZINC001733536618 1186325338 /nfs/dbraw/zinc/32/53/38/1186325338.db2.gz URHWLPXMKIHGMV-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001733576334 1186339600 /nfs/dbraw/zinc/33/96/00/1186339600.db2.gz LDOWLRBFMHVLCZ-IYBDPMFKSA-N 2 1 307.438 0.368 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001733885191 1186485739 /nfs/dbraw/zinc/48/57/39/1186485739.db2.gz GSSUZNNJFQLZDP-MRXNPFEDSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001734127438 1186555901 /nfs/dbraw/zinc/55/59/01/1186555901.db2.gz USNLVHQJJWRHOC-MRXNPFEDSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001734521141 1186675134 /nfs/dbraw/zinc/67/51/34/1186675134.db2.gz HRUFLGSWLOFFLD-LBPRGKRZSA-N 2 1 310.398 0.335 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001734528315 1186678125 /nfs/dbraw/zinc/67/81/25/1186678125.db2.gz WGTXMHMCOWJXSA-HZPDHXFCSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC1CCC1 ZINC001734538157 1186682569 /nfs/dbraw/zinc/68/25/69/1186682569.db2.gz CMNOWMKMOFCYBL-IRXDYDNUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC1CCC1 ZINC001734538157 1186682573 /nfs/dbraw/zinc/68/25/73/1186682573.db2.gz CMNOWMKMOFCYBL-IRXDYDNUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC1CCC1 ZINC001734538157 1186682574 /nfs/dbraw/zinc/68/25/74/1186682574.db2.gz CMNOWMKMOFCYBL-IRXDYDNUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC1CCC1 ZINC001734538157 1186682577 /nfs/dbraw/zinc/68/25/77/1186682577.db2.gz CMNOWMKMOFCYBL-IRXDYDNUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CCOC ZINC001734577879 1186694121 /nfs/dbraw/zinc/69/41/21/1186694121.db2.gz DVJGHJSAHVBTDG-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CCOC ZINC001734577879 1186694124 /nfs/dbraw/zinc/69/41/24/1186694124.db2.gz DVJGHJSAHVBTDG-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001753345620 1188569690 /nfs/dbraw/zinc/56/96/90/1188569690.db2.gz MQYKCEHDBSTVKR-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001753345620 1188569693 /nfs/dbraw/zinc/56/96/93/1188569693.db2.gz MQYKCEHDBSTVKR-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001753345620 1188569694 /nfs/dbraw/zinc/56/96/94/1188569694.db2.gz MQYKCEHDBSTVKR-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001753451227 1188600882 /nfs/dbraw/zinc/60/08/82/1188600882.db2.gz ZLMQJCWPYSUIKG-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001753451227 1188600884 /nfs/dbraw/zinc/60/08/84/1188600884.db2.gz ZLMQJCWPYSUIKG-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001753451227 1188600892 /nfs/dbraw/zinc/60/08/92/1188600892.db2.gz ZLMQJCWPYSUIKG-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001753451227 1188600900 /nfs/dbraw/zinc/60/09/00/1188600900.db2.gz ZLMQJCWPYSUIKG-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001753566751 1188618914 /nfs/dbraw/zinc/61/89/14/1188618914.db2.gz TZVSDVINBGWCTG-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001753566751 1188618917 /nfs/dbraw/zinc/61/89/17/1188618917.db2.gz TZVSDVINBGWCTG-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CCCCC1 ZINC001753749167 1188650595 /nfs/dbraw/zinc/65/05/95/1188650595.db2.gz DMRPGXUCUJDSKK-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CCCCC1 ZINC001753749167 1188650596 /nfs/dbraw/zinc/65/05/96/1188650596.db2.gz DMRPGXUCUJDSKK-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1=O ZINC001754253248 1188799333 /nfs/dbraw/zinc/79/93/33/1188799333.db2.gz DXEPLRBEJSBHSE-TZMCWYRMSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1=O ZINC001754253247 1188799535 /nfs/dbraw/zinc/79/95/35/1188799535.db2.gz DXEPLRBEJSBHSE-OCCSQVGLSA-N 2 1 319.409 0.073 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754327606 1188823329 /nfs/dbraw/zinc/82/33/29/1188823329.db2.gz DHPQPSXGUAXFKE-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001754857162 1188952190 /nfs/dbraw/zinc/95/21/90/1188952190.db2.gz AOBPFLCCGNRPBB-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001754857162 1188952191 /nfs/dbraw/zinc/95/21/91/1188952191.db2.gz AOBPFLCCGNRPBB-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001754857162 1188952193 /nfs/dbraw/zinc/95/21/93/1188952193.db2.gz AOBPFLCCGNRPBB-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001754861724 1188953980 /nfs/dbraw/zinc/95/39/80/1188953980.db2.gz NVAGGPJORXOQGO-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001754861724 1188953982 /nfs/dbraw/zinc/95/39/82/1188953982.db2.gz NVAGGPJORXOQGO-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001754861724 1188953985 /nfs/dbraw/zinc/95/39/85/1188953985.db2.gz NVAGGPJORXOQGO-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001755464573 1189118961 /nfs/dbraw/zinc/11/89/61/1189118961.db2.gz ZZDBUEGGDDYNOL-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001755898072 1189252786 /nfs/dbraw/zinc/25/27/86/1189252786.db2.gz XHIXXSXFQPHYMU-INIZCTEOSA-N 2 1 305.422 0.336 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001755898072 1189252791 /nfs/dbraw/zinc/25/27/91/1189252791.db2.gz XHIXXSXFQPHYMU-INIZCTEOSA-N 2 1 305.422 0.336 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755898072 1189252794 /nfs/dbraw/zinc/25/27/94/1189252794.db2.gz XHIXXSXFQPHYMU-INIZCTEOSA-N 2 1 305.422 0.336 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127685172 751628084 /nfs/dbraw/zinc/62/80/84/751628084.db2.gz GBPRIKMBVSZEKA-GHMZBOCLSA-N 2 1 304.232 0.941 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC001124836296 751720160 /nfs/dbraw/zinc/72/01/60/751720160.db2.gz FGVSDDZKNMSBSY-MRXNPFEDSA-N 2 1 316.405 0.889 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083781691 751788969 /nfs/dbraw/zinc/78/89/69/751788969.db2.gz RULVFGQRDBONSS-IMJJTQAJSA-N 2 1 318.421 0.491 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083781691 751788975 /nfs/dbraw/zinc/78/89/75/751788975.db2.gz RULVFGQRDBONSS-IMJJTQAJSA-N 2 1 318.421 0.491 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001047550635 751828893 /nfs/dbraw/zinc/82/88/93/751828893.db2.gz CEFHIZMQOUIYDV-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001047550635 751828900 /nfs/dbraw/zinc/82/89/00/751828900.db2.gz CEFHIZMQOUIYDV-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077585206 751892566 /nfs/dbraw/zinc/89/25/66/751892566.db2.gz VKOKTSCXYXFIHX-FVQBIDKESA-N 2 1 318.421 0.491 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077585206 751892579 /nfs/dbraw/zinc/89/25/79/751892579.db2.gz VKOKTSCXYXFIHX-FVQBIDKESA-N 2 1 318.421 0.491 20 30 DCEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098561144 747339476 /nfs/dbraw/zinc/33/94/76/747339476.db2.gz UFLWZSWRBSRXEU-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561144 747339482 /nfs/dbraw/zinc/33/94/82/747339482.db2.gz UFLWZSWRBSRXEU-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561144 747339487 /nfs/dbraw/zinc/33/94/87/747339487.db2.gz UFLWZSWRBSRXEU-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043392627 752214354 /nfs/dbraw/zinc/21/43/54/752214354.db2.gz UXDLVJQCHATIAZ-BFHRDPOASA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392627 752214359 /nfs/dbraw/zinc/21/43/59/752214359.db2.gz UXDLVJQCHATIAZ-BFHRDPOASA-N 2 1 319.449 0.958 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042263 748011086 /nfs/dbraw/zinc/01/10/86/748011086.db2.gz UJIOCVVEEVZCOV-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042263 748011096 /nfs/dbraw/zinc/01/10/96/748011096.db2.gz UJIOCVVEEVZCOV-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259860 748087472 /nfs/dbraw/zinc/08/74/72/748087472.db2.gz OWGYQSYTYNDOSF-OAHLLOKOSA-N 2 1 318.425 0.277 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105326834 748137185 /nfs/dbraw/zinc/13/71/85/748137185.db2.gz IJAMWMCLYOOPBL-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105326834 748137188 /nfs/dbraw/zinc/13/71/88/748137188.db2.gz IJAMWMCLYOOPBL-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001105376728 748697061 /nfs/dbraw/zinc/69/70/61/748697061.db2.gz DQPDYPXYZHJMJI-UHFFFAOYSA-N 2 1 306.414 0.277 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001105376728 748697065 /nfs/dbraw/zinc/69/70/65/748697065.db2.gz DQPDYPXYZHJMJI-UHFFFAOYSA-N 2 1 306.414 0.277 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836682 749075778 /nfs/dbraw/zinc/07/57/78/749075778.db2.gz DKEZPTUDIZEGFU-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836682 749075785 /nfs/dbraw/zinc/07/57/85/749075785.db2.gz DKEZPTUDIZEGFU-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836682 749075787 /nfs/dbraw/zinc/07/57/87/749075787.db2.gz DKEZPTUDIZEGFU-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836682 749075795 /nfs/dbraw/zinc/07/57/95/749075795.db2.gz DKEZPTUDIZEGFU-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920231 749132898 /nfs/dbraw/zinc/13/28/98/749132898.db2.gz IJSUPRQMFGSRRQ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920231 749132903 /nfs/dbraw/zinc/13/29/03/749132903.db2.gz IJSUPRQMFGSRRQ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920231 749132908 /nfs/dbraw/zinc/13/29/08/749132908.db2.gz IJSUPRQMFGSRRQ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920231 749132913 /nfs/dbraw/zinc/13/29/13/749132913.db2.gz IJSUPRQMFGSRRQ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168136591 749472747 /nfs/dbraw/zinc/47/27/47/749472747.db2.gz HLFOMTABJYMPDZ-AWEZNQCLSA-N 2 1 322.453 0.116 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241295 749662366 /nfs/dbraw/zinc/66/23/66/749662366.db2.gz VZTLAOFUJHACHB-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241295 749662369 /nfs/dbraw/zinc/66/23/69/749662369.db2.gz VZTLAOFUJHACHB-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001112867883 761983610 /nfs/dbraw/zinc/98/36/10/761983610.db2.gz CKKFLLXQOXTOKU-HZPDHXFCSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077131502 750216899 /nfs/dbraw/zinc/21/68/99/750216899.db2.gz DJNPZYUDZRAPST-BRWVUGGUSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077131502 750216904 /nfs/dbraw/zinc/21/69/04/750216904.db2.gz DJNPZYUDZRAPST-BRWVUGGUSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077131502 750216907 /nfs/dbraw/zinc/21/69/07/750216907.db2.gz DJNPZYUDZRAPST-BRWVUGGUSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077131502 750216913 /nfs/dbraw/zinc/21/69/13/750216913.db2.gz DJNPZYUDZRAPST-BRWVUGGUSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765849 751271150 /nfs/dbraw/zinc/27/11/50/751271150.db2.gz VXHJIKJRMUXMJH-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013189 762111250 /nfs/dbraw/zinc/11/12/50/762111250.db2.gz ICGUDZKOMFVCPM-VQFNDLOPSA-N 2 1 321.465 0.967 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778447 752522222 /nfs/dbraw/zinc/52/22/22/752522222.db2.gz KCHARBJJVXZZSL-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[NH+]1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001044034325 752526310 /nfs/dbraw/zinc/52/63/10/752526310.db2.gz LFROMAZLEMLNQP-UHFFFAOYSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444846 753196258 /nfs/dbraw/zinc/19/62/58/753196258.db2.gz YPGYSEDCTDWRRL-GJZGRUSLSA-N 2 1 305.422 0.454 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044140 753444949 /nfs/dbraw/zinc/44/49/49/753444949.db2.gz PZHFWOSQXZDBAV-MRXNPFEDSA-N 2 1 317.437 0.596 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044140 753444954 /nfs/dbraw/zinc/44/49/54/753444954.db2.gz PZHFWOSQXZDBAV-MRXNPFEDSA-N 2 1 317.437 0.596 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001046850019 753979478 /nfs/dbraw/zinc/97/94/78/753979478.db2.gz NQIZIRGUSAXGCI-CRAIPNDOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096139388 754026247 /nfs/dbraw/zinc/02/62/47/754026247.db2.gz ADQAMGYUYJHIDX-PMPSAXMXSA-N 2 1 315.421 0.413 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096139388 754026255 /nfs/dbraw/zinc/02/62/55/754026255.db2.gz ADQAMGYUYJHIDX-PMPSAXMXSA-N 2 1 315.421 0.413 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511266 755243483 /nfs/dbraw/zinc/24/34/83/755243483.db2.gz ZJASDQKJFSFGKF-BMFZPTHFSA-N 2 1 306.454 0.578 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391854 755247894 /nfs/dbraw/zinc/24/78/94/755247894.db2.gz RRQJGNISQOHMPP-BZUAXINKSA-N 2 1 305.422 0.406 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391853 755247958 /nfs/dbraw/zinc/24/79/58/755247958.db2.gz RRQJGNISQOHMPP-ARFHVFGLSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049547848 755309953 /nfs/dbraw/zinc/30/99/53/755309953.db2.gz GVRJENYVRFOLCV-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049547848 755309955 /nfs/dbraw/zinc/30/99/55/755309955.db2.gz GVRJENYVRFOLCV-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547848 755309959 /nfs/dbraw/zinc/30/99/59/755309959.db2.gz GVRJENYVRFOLCV-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547848 755309965 /nfs/dbraw/zinc/30/99/65/755309965.db2.gz GVRJENYVRFOLCV-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908602 755449193 /nfs/dbraw/zinc/44/91/93/755449193.db2.gz MKFLFQYEGWMKTR-CVEARBPZSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377299 757083875 /nfs/dbraw/zinc/08/38/75/757083875.db2.gz LDFSQDVRAOYUHP-KFWWJZLASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377299 757083882 /nfs/dbraw/zinc/08/38/82/757083882.db2.gz LDFSQDVRAOYUHP-KFWWJZLASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377299 757083890 /nfs/dbraw/zinc/08/38/90/757083890.db2.gz LDFSQDVRAOYUHP-KFWWJZLASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377299 757083898 /nfs/dbraw/zinc/08/38/98/757083898.db2.gz LDFSQDVRAOYUHP-KFWWJZLASA-N 2 1 311.426 0.099 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050076222 757337143 /nfs/dbraw/zinc/33/71/43/757337143.db2.gz VXVMRLBQBWCCHG-YYIAUSFCSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050076222 757337153 /nfs/dbraw/zinc/33/71/53/757337153.db2.gz VXVMRLBQBWCCHG-YYIAUSFCSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050076222 757337163 /nfs/dbraw/zinc/33/71/63/757337163.db2.gz VXVMRLBQBWCCHG-YYIAUSFCSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050076222 757337177 /nfs/dbraw/zinc/33/71/77/757337177.db2.gz VXVMRLBQBWCCHG-YYIAUSFCSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001050125224 757396657 /nfs/dbraw/zinc/39/66/57/757396657.db2.gz SZMKIRQUFVSSKT-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001050125224 757396666 /nfs/dbraw/zinc/39/66/66/757396666.db2.gz SZMKIRQUFVSSKT-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001050125224 757396676 /nfs/dbraw/zinc/39/66/76/757396676.db2.gz SZMKIRQUFVSSKT-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001050125224 757396686 /nfs/dbraw/zinc/39/66/86/757396686.db2.gz SZMKIRQUFVSSKT-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110425 757470196 /nfs/dbraw/zinc/47/01/96/757470196.db2.gz CUKYYPQHONRVMM-YESZJQIVSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110425 757470200 /nfs/dbraw/zinc/47/02/00/757470200.db2.gz CUKYYPQHONRVMM-YESZJQIVSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110425 757470206 /nfs/dbraw/zinc/47/02/06/757470206.db2.gz CUKYYPQHONRVMM-YESZJQIVSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083110425 757470210 /nfs/dbraw/zinc/47/02/10/757470210.db2.gz CUKYYPQHONRVMM-YESZJQIVSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472550 757743426 /nfs/dbraw/zinc/74/34/26/757743426.db2.gz WMUACLXIAOOZDN-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472550 757743433 /nfs/dbraw/zinc/74/34/33/757743433.db2.gz WMUACLXIAOOZDN-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347622 757797582 /nfs/dbraw/zinc/79/75/82/757797582.db2.gz YILUZAMJDHXPRI-BRWVUGGUSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001085094184 758206040 /nfs/dbraw/zinc/20/60/40/758206040.db2.gz FTJLDNCXQIVYMX-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052084344 759167445 /nfs/dbraw/zinc/16/74/45/759167445.db2.gz VQDAZVVJHSPXEF-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052084344 759167449 /nfs/dbraw/zinc/16/74/49/759167449.db2.gz VQDAZVVJHSPXEF-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117678 759190786 /nfs/dbraw/zinc/19/07/86/759190786.db2.gz XBIXISGCYIDQDB-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866983 759404171 /nfs/dbraw/zinc/40/41/71/759404171.db2.gz YDVSBOTYAOJXOE-OAHLLOKOSA-N 2 1 305.426 0.777 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866983 759404178 /nfs/dbraw/zinc/40/41/78/759404178.db2.gz YDVSBOTYAOJXOE-OAHLLOKOSA-N 2 1 305.426 0.777 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147885829 767861861 /nfs/dbraw/zinc/86/18/61/767861861.db2.gz PKVOCICWNGGWMT-OAHLLOKOSA-N 2 1 324.469 0.459 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)COC)CC1 ZINC001085986629 759547399 /nfs/dbraw/zinc/54/73/99/759547399.db2.gz JCGCBQNUVYVBSX-RDJZCZTQSA-N 2 1 321.465 0.899 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086276549 759943114 /nfs/dbraw/zinc/94/31/14/759943114.db2.gz VKWMMBOLBFLJGJ-HZSPNIEDSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086276549 759943122 /nfs/dbraw/zinc/94/31/22/759943122.db2.gz VKWMMBOLBFLJGJ-HZSPNIEDSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086432346 760183940 /nfs/dbraw/zinc/18/39/40/760183940.db2.gz RXLOYOHLIOZGJA-MYPHYYIGSA-N 2 1 319.449 0.910 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108351397 760424754 /nfs/dbraw/zinc/42/47/54/760424754.db2.gz JOBHGPQHWZRQQI-QGZVFWFLSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108351397 760424758 /nfs/dbraw/zinc/42/47/58/760424758.db2.gz JOBHGPQHWZRQQI-QGZVFWFLSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)C[N@@H+](C(C)C)CCO2)CC1 ZINC001108419981 760508044 /nfs/dbraw/zinc/50/80/44/760508044.db2.gz UUEBBAHVJZZNKB-GOSISDBHSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148277926 767958038 /nfs/dbraw/zinc/95/80/38/767958038.db2.gz NNQQCBZQHWYAOX-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001148277926 767958045 /nfs/dbraw/zinc/95/80/45/767958045.db2.gz NNQQCBZQHWYAOX-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001148277926 767958051 /nfs/dbraw/zinc/95/80/51/767958051.db2.gz NNQQCBZQHWYAOX-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809602 760870351 /nfs/dbraw/zinc/87/03/51/760870351.db2.gz JHHDUBHYJOWJTP-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902788 760949223 /nfs/dbraw/zinc/94/92/23/760949223.db2.gz OOOHPQDVQYAYDV-KFWWJZLASA-N 2 1 318.425 0.290 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902788 760949231 /nfs/dbraw/zinc/94/92/31/760949231.db2.gz OOOHPQDVQYAYDV-KFWWJZLASA-N 2 1 318.425 0.290 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902788 760949238 /nfs/dbraw/zinc/94/92/38/760949238.db2.gz OOOHPQDVQYAYDV-KFWWJZLASA-N 2 1 318.425 0.290 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902788 760949243 /nfs/dbraw/zinc/94/92/43/760949243.db2.gz OOOHPQDVQYAYDV-KFWWJZLASA-N 2 1 318.425 0.290 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015288 761033310 /nfs/dbraw/zinc/03/33/10/761033310.db2.gz PMEHSAIASRZIMP-CABCVRRESA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015288 761033316 /nfs/dbraw/zinc/03/33/16/761033316.db2.gz PMEHSAIASRZIMP-CABCVRRESA-N 2 1 318.425 0.147 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410494 761401554 /nfs/dbraw/zinc/40/15/54/761401554.db2.gz FWNWJHRWFJQJRS-IKGGRYGDSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410494 761401556 /nfs/dbraw/zinc/40/15/56/761401556.db2.gz FWNWJHRWFJQJRS-IKGGRYGDSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109410494 761401558 /nfs/dbraw/zinc/40/15/58/761401558.db2.gz FWNWJHRWFJQJRS-IKGGRYGDSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109410494 761401561 /nfs/dbraw/zinc/40/15/61/761401561.db2.gz FWNWJHRWFJQJRS-IKGGRYGDSA-N 2 1 319.449 0.842 20 30 DCEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC)[NH+](C)C ZINC001109446288 761423692 /nfs/dbraw/zinc/42/36/92/761423692.db2.gz NPYXSOMJVQKLKK-QXSJWSMHSA-N 2 1 307.438 0.698 20 30 DCEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC)[NH+](C)C ZINC001109446288 761423695 /nfs/dbraw/zinc/42/36/95/761423695.db2.gz NPYXSOMJVQKLKK-QXSJWSMHSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(CC)CC ZINC001129790876 763004343 /nfs/dbraw/zinc/00/43/43/763004343.db2.gz MBNNBIXGFIACMK-HNNXBMFYSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(CC)CC ZINC001129790876 763004350 /nfs/dbraw/zinc/00/43/50/763004350.db2.gz MBNNBIXGFIACMK-HNNXBMFYSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCc1nc(C)no1 ZINC001129770871 763009374 /nfs/dbraw/zinc/00/93/74/763009374.db2.gz MJBKBSJYUGLIEG-AWEZNQCLSA-N 2 1 319.409 0.114 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCc1nc(C)no1 ZINC001129770871 763009379 /nfs/dbraw/zinc/00/93/79/763009379.db2.gz MJBKBSJYUGLIEG-AWEZNQCLSA-N 2 1 319.409 0.114 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415120 763292724 /nfs/dbraw/zinc/29/27/24/763292724.db2.gz CAIUQHTUKMHUNU-AWEZNQCLSA-N 2 1 317.437 0.790 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126647 763336867 /nfs/dbraw/zinc/33/68/67/763336867.db2.gz KOPVCRVRRRCVGM-HOTGVXAUSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158509049 764148629 /nfs/dbraw/zinc/14/86/29/764148629.db2.gz ZAWUBKYUBYUALY-HUUCEWRRSA-N 2 1 311.426 0.148 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390078 770804627 /nfs/dbraw/zinc/80/46/27/770804627.db2.gz GUGPCEQBZXZFDE-OAHLLOKOSA-N 2 1 313.442 0.041 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581089 764711312 /nfs/dbraw/zinc/71/13/12/764711312.db2.gz YXUZZLUGNSRBDI-BZUAXINKSA-N 2 1 309.454 0.825 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133908073 765220123 /nfs/dbraw/zinc/22/01/23/765220123.db2.gz GNYKSJXJOBJCSG-CYBMUJFWSA-N 2 1 312.458 0.361 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115081807 765582352 /nfs/dbraw/zinc/58/23/52/765582352.db2.gz YKFHWRKNYHYIQL-TTZDDIAXSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081807 765582355 /nfs/dbraw/zinc/58/23/55/765582355.db2.gz YKFHWRKNYHYIQL-TTZDDIAXSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081807 765582358 /nfs/dbraw/zinc/58/23/58/765582358.db2.gz YKFHWRKNYHYIQL-TTZDDIAXSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093863 765800651 /nfs/dbraw/zinc/80/06/51/765800651.db2.gz UJAGJHRDJHEIMQ-ZIAGYGMSSA-N 2 1 308.426 0.011 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CCCCCC ZINC001135440303 765938752 /nfs/dbraw/zinc/93/87/52/765938752.db2.gz KSYYSBZQCHALJD-HNNXBMFYSA-N 2 1 324.469 0.342 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090609224 766370177 /nfs/dbraw/zinc/37/01/77/766370177.db2.gz KMLRIMFPZUBZTP-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090610923 766373082 /nfs/dbraw/zinc/37/30/82/766373082.db2.gz WTKXODCAMGFVHG-HZPDHXFCSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090694481 766482715 /nfs/dbraw/zinc/48/27/15/766482715.db2.gz ZUEISXYNEVAFKR-HZPDHXFCSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090694481 766482723 /nfs/dbraw/zinc/48/27/23/766482723.db2.gz ZUEISXYNEVAFKR-HZPDHXFCSA-N 2 1 307.438 0.291 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090734278 766530415 /nfs/dbraw/zinc/53/04/15/766530415.db2.gz KCBQEOKLAKSNOF-ZFWWWQNUSA-N 2 1 304.394 0.499 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090734278 766530418 /nfs/dbraw/zinc/53/04/18/766530418.db2.gz KCBQEOKLAKSNOF-ZFWWWQNUSA-N 2 1 304.394 0.499 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)C[C@H]2O)CC1 ZINC001090830596 766649439 /nfs/dbraw/zinc/64/94/39/766649439.db2.gz NOFPOUXCNWLRBR-DLBZAZTESA-N 2 1 321.465 0.539 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171225956 767049711 /nfs/dbraw/zinc/04/97/11/767049711.db2.gz BWHMDRLQBOAGRB-ZIAGYGMSSA-N 2 1 310.442 0.115 20 30 DCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092909712 768414463 /nfs/dbraw/zinc/41/44/63/768414463.db2.gz ZUPLNXTYYXFDTD-OAGGEKHMSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001093391357 768555666 /nfs/dbraw/zinc/55/56/66/768555666.db2.gz RRMBNKKPEYQKBZ-PQUAAJSLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149849991 768882663 /nfs/dbraw/zinc/88/26/63/768882663.db2.gz XTHUMTBPZBNICU-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149984684 768920863 /nfs/dbraw/zinc/92/08/63/768920863.db2.gz WZXWMDIIIZNFOR-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149984684 768920866 /nfs/dbraw/zinc/92/08/66/768920866.db2.gz WZXWMDIIIZNFOR-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417949 769090754 /nfs/dbraw/zinc/09/07/54/769090754.db2.gz VBPZMPJKRDBFEH-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150626236 769144734 /nfs/dbraw/zinc/14/47/34/769144734.db2.gz URXAOPJAIKTGOE-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626236 769144738 /nfs/dbraw/zinc/14/47/38/769144738.db2.gz URXAOPJAIKTGOE-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626236 769144743 /nfs/dbraw/zinc/14/47/43/769144743.db2.gz URXAOPJAIKTGOE-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501005 769310950 /nfs/dbraw/zinc/31/09/50/769310950.db2.gz PIJFVDYFALWEQP-BZUAXINKSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501005 769310962 /nfs/dbraw/zinc/31/09/62/769310962.db2.gz PIJFVDYFALWEQP-BZUAXINKSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171873633 769384183 /nfs/dbraw/zinc/38/41/83/769384183.db2.gz SHAYZRIOJFINPT-UERKLNTKSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nccn2CC)CC1 ZINC001152334408 769529297 /nfs/dbraw/zinc/52/92/97/769529297.db2.gz DYSFAEZZSFGVBE-UHFFFAOYSA-N 2 1 317.437 0.454 20 30 DCEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001095016207 769534948 /nfs/dbraw/zinc/53/49/48/769534948.db2.gz CUKIKFHOQBQLIR-XHSDSOJGSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238798829 770130427 /nfs/dbraw/zinc/13/04/27/770130427.db2.gz OEWMFTKNMLKUFS-AWEZNQCLSA-N 2 1 301.456 0.556 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238798829 770130435 /nfs/dbraw/zinc/13/04/35/770130435.db2.gz OEWMFTKNMLKUFS-AWEZNQCLSA-N 2 1 301.456 0.556 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176844537 770188912 /nfs/dbraw/zinc/18/89/12/770188912.db2.gz KPMZCBOWPPQWPG-OKILXGFUSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176992578 770282362 /nfs/dbraw/zinc/28/23/62/770282362.db2.gz UUUVVLMOIIBUEY-HUUCEWRRSA-N 2 1 324.469 0.647 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255093 770450461 /nfs/dbraw/zinc/45/04/61/770450461.db2.gz JIRPMXYXDNCZGP-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255093 770450472 /nfs/dbraw/zinc/45/04/72/770450472.db2.gz JIRPMXYXDNCZGP-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255093 770450476 /nfs/dbraw/zinc/45/04/76/770450476.db2.gz JIRPMXYXDNCZGP-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001179396573 770997000 /nfs/dbraw/zinc/99/70/00/770997000.db2.gz RMXLUZDKVMLUJZ-HRCADAONSA-N 2 1 307.438 0.698 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001179396573 770997006 /nfs/dbraw/zinc/99/70/06/770997006.db2.gz RMXLUZDKVMLUJZ-HRCADAONSA-N 2 1 307.438 0.698 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H]1C ZINC001179979413 771042149 /nfs/dbraw/zinc/04/21/49/771042149.db2.gz WQRHYQSYVKAGBE-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183867641 771717086 /nfs/dbraw/zinc/71/70/86/771717086.db2.gz HIYYWOHXETWBDL-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185294759 771901344 /nfs/dbraw/zinc/90/13/44/771901344.db2.gz SLMUWPMMNLCRIN-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185303996 771901908 /nfs/dbraw/zinc/90/19/08/771901908.db2.gz AGRPLTDCRJKENX-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C[C@H]1CN(O)C(=O)[C@H]1Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001160176395 772004925 /nfs/dbraw/zinc/00/49/25/772004925.db2.gz PPXBDGLXAIVMRN-CABZTGNLSA-N 2 1 306.370 0.052 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOC1CCC1 ZINC001160209562 772009617 /nfs/dbraw/zinc/00/96/17/772009617.db2.gz QONPYNCNOLSQIC-INIZCTEOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOC1CCC1 ZINC001160209562 772009623 /nfs/dbraw/zinc/00/96/23/772009623.db2.gz QONPYNCNOLSQIC-INIZCTEOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccns1 ZINC001160209793 772010696 /nfs/dbraw/zinc/01/06/96/772010696.db2.gz WYPFHTSXEDNOKD-AWEZNQCLSA-N 2 1 306.435 0.837 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccns1 ZINC001160209793 772010700 /nfs/dbraw/zinc/01/07/00/772010700.db2.gz WYPFHTSXEDNOKD-AWEZNQCLSA-N 2 1 306.435 0.837 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160862274 772127111 /nfs/dbraw/zinc/12/71/11/772127111.db2.gz KRVZFMRQDDGAGD-HUUCEWRRSA-N 2 1 322.453 0.401 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)(COC)CC1 ZINC001162327851 772361750 /nfs/dbraw/zinc/36/17/50/772361750.db2.gz YLLXIXSHMFOPIU-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699911 772448463 /nfs/dbraw/zinc/44/84/63/772448463.db2.gz WYPZUJJWSMQDHU-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC#CCOC)C1 ZINC001164449554 772660423 /nfs/dbraw/zinc/66/04/23/772660423.db2.gz LPQLWAWPWLMJRN-INIZCTEOSA-N 2 1 309.454 0.854 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164597181 772686642 /nfs/dbraw/zinc/68/66/42/772686642.db2.gz XWEAFEORRFGCNY-HUUCEWRRSA-N 2 1 305.422 0.359 20 30 DCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596510 772686713 /nfs/dbraw/zinc/68/67/13/772686713.db2.gz LZQBHSORMPREKU-HUUCEWRRSA-N 2 1 307.438 0.912 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165764103 772760404 /nfs/dbraw/zinc/76/04/04/772760404.db2.gz MBLVKJNODXIOCY-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192170412 772879069 /nfs/dbraw/zinc/87/90/69/772879069.db2.gz LICOIAWOKCXNDZ-HUUCEWRRSA-N 2 1 322.453 0.258 20 30 DCEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203505176 772910065 /nfs/dbraw/zinc/91/00/65/772910065.db2.gz BWUMVRBJLZPCQX-HOTGVXAUSA-N 2 1 319.449 0.749 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948011 772977577 /nfs/dbraw/zinc/97/75/77/772977577.db2.gz NKXZPSWROHKCJD-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001205585988 773001932 /nfs/dbraw/zinc/00/19/32/773001932.db2.gz LMGRJFFPMYZAFK-UHFFFAOYSA-N 2 1 304.394 0.811 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462794 773066188 /nfs/dbraw/zinc/06/61/88/773066188.db2.gz PULNXJQBOWUCPS-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193462794 773066191 /nfs/dbraw/zinc/06/61/91/773066191.db2.gz PULNXJQBOWUCPS-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193462794 773066195 /nfs/dbraw/zinc/06/61/95/773066195.db2.gz PULNXJQBOWUCPS-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992723 773159072 /nfs/dbraw/zinc/15/90/72/773159072.db2.gz CYHIDFPKXBDNAY-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992723 773159074 /nfs/dbraw/zinc/15/90/74/773159074.db2.gz CYHIDFPKXBDNAY-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992723 773159076 /nfs/dbraw/zinc/15/90/76/773159076.db2.gz CYHIDFPKXBDNAY-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208331703 773435865 /nfs/dbraw/zinc/43/58/65/773435865.db2.gz VZNMORPSDVKIHA-JKSUJKDBSA-N 2 1 317.437 0.417 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208423742 773457831 /nfs/dbraw/zinc/45/78/31/773457831.db2.gz OJWIQFZFJNSMFP-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195864837 773495083 /nfs/dbraw/zinc/49/50/83/773495083.db2.gz AWIBWSLXTADLDL-KRWDZBQOSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195864837 773495085 /nfs/dbraw/zinc/49/50/85/773495085.db2.gz AWIBWSLXTADLDL-KRWDZBQOSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208573251 773500691 /nfs/dbraw/zinc/50/06/91/773500691.db2.gz VRSBKNZPWPQSRH-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208573480 773501518 /nfs/dbraw/zinc/50/15/18/773501518.db2.gz YTVSQTUGCNEOKD-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209643735 773629585 /nfs/dbraw/zinc/62/95/85/773629585.db2.gz WGOSYYZWHXHDJU-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209659527 773631667 /nfs/dbraw/zinc/63/16/67/773631667.db2.gz FVYAYXACNOSKAR-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210040221 773670377 /nfs/dbraw/zinc/67/03/77/773670377.db2.gz CTXSOABTIHEWJN-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210040221 773670379 /nfs/dbraw/zinc/67/03/79/773670379.db2.gz CTXSOABTIHEWJN-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040221 773670380 /nfs/dbraw/zinc/67/03/80/773670380.db2.gz CTXSOABTIHEWJN-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040221 773670382 /nfs/dbraw/zinc/67/03/82/773670382.db2.gz CTXSOABTIHEWJN-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210492931 773714036 /nfs/dbraw/zinc/71/40/36/773714036.db2.gz GIFTYRFPHCVCRZ-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449601 773848384 /nfs/dbraw/zinc/84/83/84/773848384.db2.gz OTQRNKXQSRLETI-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449601 773848388 /nfs/dbraw/zinc/84/83/88/773848388.db2.gz OTQRNKXQSRLETI-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449601 773848390 /nfs/dbraw/zinc/84/83/90/773848390.db2.gz OTQRNKXQSRLETI-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449601 773848393 /nfs/dbraw/zinc/84/83/93/773848393.db2.gz OTQRNKXQSRLETI-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCOCC)CC2)CC1 ZINC001198236678 773884316 /nfs/dbraw/zinc/88/43/16/773884316.db2.gz TXIKJKDDKYMJHV-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934192 773903627 /nfs/dbraw/zinc/90/36/27/773903627.db2.gz MAUVHNQYDACUOV-BRWVUGGUSA-N 2 1 321.465 0.946 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663830 774006528 /nfs/dbraw/zinc/00/65/28/774006528.db2.gz FGTJBKLAGIDVET-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392662 774068662 /nfs/dbraw/zinc/06/86/62/774068662.db2.gz ABJSTEFNVDOHID-BZUAXINKSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392662 774068666 /nfs/dbraw/zinc/06/86/66/774068666.db2.gz ABJSTEFNVDOHID-BZUAXINKSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393060 774068725 /nfs/dbraw/zinc/06/87/25/774068725.db2.gz MQDBGRDKUPRLGS-BZUAXINKSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393060 774068726 /nfs/dbraw/zinc/06/87/26/774068726.db2.gz MQDBGRDKUPRLGS-BZUAXINKSA-N 2 1 307.438 0.555 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215535972 774081796 /nfs/dbraw/zinc/08/17/96/774081796.db2.gz BDQWSTRYOPDQAS-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540619 774081849 /nfs/dbraw/zinc/08/18/49/774081849.db2.gz OFGKSRGOCGOYJF-ARFHVFGLSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965287 774336926 /nfs/dbraw/zinc/33/69/26/774336926.db2.gz IVUQELGCJMOLNO-LSDHHAIUSA-N 2 1 311.426 0.052 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200553838 774361667 /nfs/dbraw/zinc/36/16/67/774361667.db2.gz AZFNTXNCDRFJEY-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CCCO1 ZINC001200687649 774389467 /nfs/dbraw/zinc/38/94/67/774389467.db2.gz DVWYJWSPQQRRSY-LSDHHAIUSA-N 2 1 316.405 0.601 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200704189 774395232 /nfs/dbraw/zinc/39/52/32/774395232.db2.gz IPPOTHZPPAOQGZ-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCC)C1 ZINC001200722366 774399071 /nfs/dbraw/zinc/39/90/71/774399071.db2.gz WBCHHKFMRYZGHA-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCC)C1 ZINC001200722366 774399076 /nfs/dbraw/zinc/39/90/76/774399076.db2.gz WBCHHKFMRYZGHA-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201402310 774501066 /nfs/dbraw/zinc/50/10/66/774501066.db2.gz CHFAIFYBUGYSJP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001202165669 774610766 /nfs/dbraw/zinc/61/07/66/774610766.db2.gz ZCFRLDYIIJOJIN-INIZCTEOSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001202165669 774610770 /nfs/dbraw/zinc/61/07/70/774610770.db2.gz ZCFRLDYIIJOJIN-INIZCTEOSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC)[NH+](C)C ZINC001110715040 774726539 /nfs/dbraw/zinc/72/65/39/774726539.db2.gz NPYXSOMJVQKLKK-FPCVCCKLSA-N 2 1 307.438 0.698 20 30 DCEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC)[NH+](C)C ZINC001110715040 774726542 /nfs/dbraw/zinc/72/65/42/774726542.db2.gz NPYXSOMJVQKLKK-FPCVCCKLSA-N 2 1 307.438 0.698 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202502607 774768784 /nfs/dbraw/zinc/76/87/84/774768784.db2.gz FUIFJJJUDGSBKO-ZBFHGGJFSA-N 2 1 307.438 0.415 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114402570 774841110 /nfs/dbraw/zinc/84/11/10/774841110.db2.gz GEHXFHFNHVTFBR-QXSJWSMHSA-N 2 1 317.437 0.436 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114402570 774841116 /nfs/dbraw/zinc/84/11/16/774841116.db2.gz GEHXFHFNHVTFBR-QXSJWSMHSA-N 2 1 317.437 0.436 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081020 774991224 /nfs/dbraw/zinc/99/12/24/774991224.db2.gz BIZWMOKREIHTBM-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001225577227 775695165 /nfs/dbraw/zinc/69/51/65/775695165.db2.gz AQLFBKYJDOHOKH-UHFFFAOYSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228054085 776043091 /nfs/dbraw/zinc/04/30/91/776043091.db2.gz OCIIPUUWYMQSBP-UHFFFAOYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001228054085 776043097 /nfs/dbraw/zinc/04/30/97/776043097.db2.gz OCIIPUUWYMQSBP-UHFFFAOYSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147495 776257895 /nfs/dbraw/zinc/25/78/95/776257895.db2.gz HAZSAGNXOTWXSH-HZPDHXFCSA-N 2 1 318.421 0.858 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266822528 939246191 /nfs/dbraw/zinc/24/61/91/939246191.db2.gz ACJLNMLLHFUTRU-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267569267 939503918 /nfs/dbraw/zinc/50/39/18/939503918.db2.gz RVBLNTGASSZXBQ-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267583591 939528421 /nfs/dbraw/zinc/52/84/21/939528421.db2.gz SVRBRXMYTSYMJY-HNNXBMFYSA-N 2 1 317.437 0.472 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001481127002 939575314 /nfs/dbraw/zinc/57/53/14/939575314.db2.gz OKZLLOFACMSWDQ-GJZGRUSLSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001481127002 939575316 /nfs/dbraw/zinc/57/53/16/939575316.db2.gz OKZLLOFACMSWDQ-GJZGRUSLSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001481127002 939575318 /nfs/dbraw/zinc/57/53/18/939575318.db2.gz OKZLLOFACMSWDQ-GJZGRUSLSA-N 2 1 324.469 0.455 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267616813 939582513 /nfs/dbraw/zinc/58/25/13/939582513.db2.gz CZFPYOKFSUBGMZ-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267616813 939582514 /nfs/dbraw/zinc/58/25/14/939582514.db2.gz CZFPYOKFSUBGMZ-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+](CCCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001481358449 939758868 /nfs/dbraw/zinc/75/88/68/939758868.db2.gz SAMCYKSODZXHFY-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH+](CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001481358449 939758869 /nfs/dbraw/zinc/75/88/69/939758869.db2.gz SAMCYKSODZXHFY-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001481358449 939758870 /nfs/dbraw/zinc/75/88/70/939758870.db2.gz SAMCYKSODZXHFY-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001481358449 939758872 /nfs/dbraw/zinc/75/88/72/939758872.db2.gz SAMCYKSODZXHFY-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001318155421 945277741 /nfs/dbraw/zinc/27/77/41/945277741.db2.gz PYXKOOQIYGIELU-GJZGRUSLSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268094432 939944572 /nfs/dbraw/zinc/94/45/72/939944572.db2.gz OHFBSCRKFRLMSI-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001268195316 939986837 /nfs/dbraw/zinc/98/68/37/939986837.db2.gz RSYSGYJIHDRUEW-DLBZAZTESA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001268195316 939986840 /nfs/dbraw/zinc/98/68/40/939986840.db2.gz RSYSGYJIHDRUEW-DLBZAZTESA-N 2 1 319.449 0.559 20 30 DCEDMP CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC#CCOC ZINC001269417396 940703641 /nfs/dbraw/zinc/70/36/41/940703641.db2.gz HFIQEOCFLVVDDY-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCn2cccn2)CC1 ZINC001269428123 940705345 /nfs/dbraw/zinc/70/53/45/940705345.db2.gz HXMSFBAZRFAZIL-HNNXBMFYSA-N 2 1 315.421 0.219 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCn2cccn2)CC1 ZINC001269428123 940705347 /nfs/dbraw/zinc/70/53/47/940705347.db2.gz HXMSFBAZRFAZIL-HNNXBMFYSA-N 2 1 315.421 0.219 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001482238192 940758098 /nfs/dbraw/zinc/75/80/98/940758098.db2.gz JGHDBKWVXFBPRG-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001482238192 940758100 /nfs/dbraw/zinc/75/81/00/940758100.db2.gz JGHDBKWVXFBPRG-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001270260608 940867482 /nfs/dbraw/zinc/86/74/82/940867482.db2.gz DCKXYNYPUGAJLR-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001270260608 940867485 /nfs/dbraw/zinc/86/74/85/940867485.db2.gz DCKXYNYPUGAJLR-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH+]1CC(OC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001105724332 942492412 /nfs/dbraw/zinc/49/24/12/942492412.db2.gz XVYYYXYXCKWWNF-UHFFFAOYSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001483915693 943019806 /nfs/dbraw/zinc/01/98/06/943019806.db2.gz HRULERDIVXWCJZ-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001484725929 943536338 /nfs/dbraw/zinc/53/63/38/943536338.db2.gz GYVRUFLUMZRQQK-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001484725929 943536343 /nfs/dbraw/zinc/53/63/43/943536343.db2.gz GYVRUFLUMZRQQK-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001484725929 943536346 /nfs/dbraw/zinc/53/63/46/943536346.db2.gz GYVRUFLUMZRQQK-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001484721407 943538967 /nfs/dbraw/zinc/53/89/67/943538967.db2.gz GWKSUIQULSKQBM-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001484721407 943538973 /nfs/dbraw/zinc/53/89/73/943538973.db2.gz GWKSUIQULSKQBM-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001484721407 943538978 /nfs/dbraw/zinc/53/89/78/943538978.db2.gz GWKSUIQULSKQBM-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001484842344 943590541 /nfs/dbraw/zinc/59/05/41/943590541.db2.gz XUTLVUJWQHPEAT-JZXOWHBKSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490928443 943680472 /nfs/dbraw/zinc/68/04/72/943680472.db2.gz PWCYMFMQRRQPKG-SHTZXODSSA-N 2 1 309.454 0.851 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001486040505 944498530 /nfs/dbraw/zinc/49/85/30/944498530.db2.gz AGHQUAUJEBUGGL-CYBMUJFWSA-N 2 1 303.834 0.538 20 30 DCEDMP C#CCCC[NH+]1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001276978438 944613677 /nfs/dbraw/zinc/61/36/77/944613677.db2.gz MKRCXDMHJWMNFH-MRXNPFEDSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCCC[NH+]1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001276978437 944614956 /nfs/dbraw/zinc/61/49/56/944614956.db2.gz MKRCXDMHJWMNFH-INIZCTEOSA-N 2 1 319.449 0.844 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317137821 944816921 /nfs/dbraw/zinc/81/69/21/944816921.db2.gz NYMINHMXVASLCE-OAHLLOKOSA-N 2 1 322.453 0.213 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001317302961 944911723 /nfs/dbraw/zinc/91/17/23/944911723.db2.gz MHROFJGZBKMZSS-KGLIPLIRSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001318730593 945434935 /nfs/dbraw/zinc/43/49/35/945434935.db2.gz WIFNEVSXLWZRRF-YJBOKZPZSA-N 2 1 321.465 0.853 20 30 DCEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246819786 945496231 /nfs/dbraw/zinc/49/62/31/945496231.db2.gz IYKJNQJJESQTCL-INIZCTEOSA-N 2 1 315.465 0.574 20 30 DCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001320451263 945884091 /nfs/dbraw/zinc/88/40/91/945884091.db2.gz WFEQWHQEIPKXTG-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]Cc2ccon2)CC1 ZINC001320930507 946073737 /nfs/dbraw/zinc/07/37/37/946073737.db2.gz ZDYOICFTYFMNME-UHFFFAOYSA-N 2 1 318.421 0.958 20 30 DCEDMP C=C[C@H](O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001253582420 946134865 /nfs/dbraw/zinc/13/48/65/946134865.db2.gz ONTKSIIUSBDWOL-AWEZNQCLSA-N 2 1 308.426 0.714 20 30 DCEDMP C=C[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001253582087 946135115 /nfs/dbraw/zinc/13/51/15/946135115.db2.gz MGTUWIYXJIGMAI-MRXNPFEDSA-N 2 1 309.454 0.798 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001273323480 946630185 /nfs/dbraw/zinc/63/01/85/946630185.db2.gz NTGQRILVGFPVHE-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001411109012 947342458 /nfs/dbraw/zinc/34/24/58/947342458.db2.gz ZJEIJBUUODAGKH-AAEUAGOBSA-N 2 1 303.834 0.490 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@H]1CCOC1 ZINC001273428372 947350163 /nfs/dbraw/zinc/35/01/63/947350163.db2.gz UDHICPTWRBNQBG-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@H]1CCOC1 ZINC001273428372 947350176 /nfs/dbraw/zinc/35/01/76/947350176.db2.gz UDHICPTWRBNQBG-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC(=O)NCC)CC1 ZINC001324419793 947421399 /nfs/dbraw/zinc/42/13/99/947421399.db2.gz FULSHVBKSDTIHA-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001325112277 947661806 /nfs/dbraw/zinc/66/18/06/947661806.db2.gz ZPQIODKWIBHAMK-INIZCTEOSA-N 2 1 305.422 0.191 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)C[C@H](C)OC ZINC001273524128 947939689 /nfs/dbraw/zinc/93/96/89/947939689.db2.gz LGIQFFHMPYEHSG-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)C[C@H](C)OC ZINC001273524128 947939695 /nfs/dbraw/zinc/93/96/95/947939695.db2.gz LGIQFFHMPYEHSG-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C[C@H](C)OC ZINC001273524128 947939702 /nfs/dbraw/zinc/93/97/02/947939702.db2.gz LGIQFFHMPYEHSG-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C[C@H](C)OC ZINC001273524128 947939708 /nfs/dbraw/zinc/93/97/08/947939708.db2.gz LGIQFFHMPYEHSG-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001273728699 948051999 /nfs/dbraw/zinc/05/19/99/948051999.db2.gz WXYRWFPZVRZEEV-SFHVURJKSA-N 2 1 318.465 0.324 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273753211 948067564 /nfs/dbraw/zinc/06/75/64/948067564.db2.gz SGXZESYWOVQIJJ-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001326341587 948133583 /nfs/dbraw/zinc/13/35/83/948133583.db2.gz WJKNEGDQLHHSPC-LSDHHAIUSA-N 2 1 309.458 0.397 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001327173495 948412687 /nfs/dbraw/zinc/41/26/87/948412687.db2.gz RQBFMNZFKMMGGH-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001327173495 948412691 /nfs/dbraw/zinc/41/26/91/948412691.db2.gz RQBFMNZFKMMGGH-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001327173495 948412694 /nfs/dbraw/zinc/41/26/94/948412694.db2.gz RQBFMNZFKMMGGH-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP O[C@@]1(C2CC2)CC[N@@H+](CC#CC[NH+]2CC[C@](O)(C3CC3)C2)C1 ZINC001327716167 948604415 /nfs/dbraw/zinc/60/44/15/948604415.db2.gz IDCXVCOJINSQRC-HDICACEKSA-N 2 1 304.434 0.683 20 30 DCEDMP O[C@@]1(C2CC2)CC[NH+](CC#CC[N@@H+]2CC[C@](O)(C3CC3)C2)C1 ZINC001327716167 948604419 /nfs/dbraw/zinc/60/44/19/948604419.db2.gz IDCXVCOJINSQRC-HDICACEKSA-N 2 1 304.434 0.683 20 30 DCEDMP O[C@@]1(C2CC2)CC[NH+](CC#CC[N@H+]2CC[C@](O)(C3CC3)C2)C1 ZINC001327716167 948604426 /nfs/dbraw/zinc/60/44/26/948604426.db2.gz IDCXVCOJINSQRC-HDICACEKSA-N 2 1 304.434 0.683 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001264077056 948863200 /nfs/dbraw/zinc/86/32/00/948863200.db2.gz RLIXKKGMRMGTKQ-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001264079989 948872019 /nfs/dbraw/zinc/87/20/19/948872019.db2.gz DCTMMHXPXUTXOI-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001264079989 948872036 /nfs/dbraw/zinc/87/20/36/948872036.db2.gz DCTMMHXPXUTXOI-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001264079989 948872054 /nfs/dbraw/zinc/87/20/54/948872054.db2.gz DCTMMHXPXUTXOI-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[N@@H+](C)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001265001523 949167711 /nfs/dbraw/zinc/16/77/11/949167711.db2.gz ZRXCRBYGLHRXOS-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265243501 949487583 /nfs/dbraw/zinc/48/75/83/949487583.db2.gz USVVIMXZUKZVFQ-HZPDHXFCSA-N 2 1 308.470 0.637 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265243501 949487592 /nfs/dbraw/zinc/48/75/92/949487592.db2.gz USVVIMXZUKZVFQ-HZPDHXFCSA-N 2 1 308.470 0.637 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265243501 949487599 /nfs/dbraw/zinc/48/75/99/949487599.db2.gz USVVIMXZUKZVFQ-HZPDHXFCSA-N 2 1 308.470 0.637 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265319836 949607430 /nfs/dbraw/zinc/60/74/30/949607430.db2.gz SJIUFQJXIFRROE-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265319836 949607447 /nfs/dbraw/zinc/60/74/47/949607447.db2.gz SJIUFQJXIFRROE-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC[C@@H](C)O)CC1 ZINC001329621991 949725078 /nfs/dbraw/zinc/72/50/78/949725078.db2.gz ATGKSCHCRCOTAG-JKSUJKDBSA-N 2 1 323.481 0.929 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2(CCO)C[NH+](CCC=C)C2)CC1 ZINC001329718687 949812933 /nfs/dbraw/zinc/81/29/33/949812933.db2.gz ZSLCAHXALHOWLQ-UHFFFAOYSA-N 2 1 319.449 0.461 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001330014851 950058759 /nfs/dbraw/zinc/05/87/59/950058759.db2.gz ZBOYBDLGYOFYHC-HNNXBMFYSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCOCC)C1 ZINC001265912876 950135033 /nfs/dbraw/zinc/13/50/33/950135033.db2.gz RVXAYMZIZHMJLN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCOCC)C1 ZINC001265912876 950135042 /nfs/dbraw/zinc/13/50/42/950135042.db2.gz RVXAYMZIZHMJLN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCOC)C[C@H]21 ZINC001330309172 950264526 /nfs/dbraw/zinc/26/45/26/950264526.db2.gz KVZSXNHZDSXIOS-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCOC)C[C@H]21 ZINC001330309172 950264548 /nfs/dbraw/zinc/26/45/48/950264548.db2.gz KVZSXNHZDSXIOS-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCOC)C[C@H]21 ZINC001330309172 950264565 /nfs/dbraw/zinc/26/45/65/950264565.db2.gz KVZSXNHZDSXIOS-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCOC)C[C@H]21 ZINC001330309172 950264585 /nfs/dbraw/zinc/26/45/85/950264585.db2.gz KVZSXNHZDSXIOS-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001279438767 950573234 /nfs/dbraw/zinc/57/32/34/950573234.db2.gz LUHDSMMYFRHYBO-UHFFFAOYSA-N 2 1 305.426 0.548 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001279490029 950602835 /nfs/dbraw/zinc/60/28/35/950602835.db2.gz JRYRMTYRQDQLQB-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCN1CCN(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001490494607 950749730 /nfs/dbraw/zinc/74/97/30/950749730.db2.gz LGXWOVPELYXEDL-IRXDYDNUSA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001490494607 950749746 /nfs/dbraw/zinc/74/97/46/950749746.db2.gz LGXWOVPELYXEDL-IRXDYDNUSA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001490494607 950749765 /nfs/dbraw/zinc/74/97/65/950749765.db2.gz LGXWOVPELYXEDL-IRXDYDNUSA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001331144553 950958477 /nfs/dbraw/zinc/95/84/77/950958477.db2.gz KDBUCPNEASLYMM-OAHLLOKOSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001331144553 950958489 /nfs/dbraw/zinc/95/84/89/950958489.db2.gz KDBUCPNEASLYMM-OAHLLOKOSA-N 2 1 318.421 0.452 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001331174187 950990589 /nfs/dbraw/zinc/99/05/89/950990589.db2.gz RPCYNIKKODRYPH-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001331174187 950990601 /nfs/dbraw/zinc/99/06/01/950990601.db2.gz RPCYNIKKODRYPH-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001331174187 950990612 /nfs/dbraw/zinc/99/06/12/950990612.db2.gz RPCYNIKKODRYPH-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001490778004 951098871 /nfs/dbraw/zinc/09/88/71/951098871.db2.gz USOUBCPONUOITB-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001490778004 951098883 /nfs/dbraw/zinc/09/88/83/951098883.db2.gz USOUBCPONUOITB-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001490778004 951098895 /nfs/dbraw/zinc/09/88/95/951098895.db2.gz USOUBCPONUOITB-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001490778004 951098909 /nfs/dbraw/zinc/09/89/09/951098909.db2.gz USOUBCPONUOITB-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001490778004 951098924 /nfs/dbraw/zinc/09/89/24/951098924.db2.gz USOUBCPONUOITB-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001331439012 951120035 /nfs/dbraw/zinc/12/00/35/951120035.db2.gz LNSLIKJAUBIPEV-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001332208369 951522485 /nfs/dbraw/zinc/52/24/85/951522485.db2.gz VQYQJVDDOUDZBF-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001332208369 951522494 /nfs/dbraw/zinc/52/24/94/951522494.db2.gz VQYQJVDDOUDZBF-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001332208369 951522497 /nfs/dbraw/zinc/52/24/97/951522497.db2.gz VQYQJVDDOUDZBF-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001332208369 951522506 /nfs/dbraw/zinc/52/25/06/951522506.db2.gz VQYQJVDDOUDZBF-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC001332408435 951634763 /nfs/dbraw/zinc/63/47/63/951634763.db2.gz PCCDSZDCWXLGQV-NVXWUHKLSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC001332408435 951634769 /nfs/dbraw/zinc/63/47/69/951634769.db2.gz PCCDSZDCWXLGQV-NVXWUHKLSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001332408435 951634777 /nfs/dbraw/zinc/63/47/77/951634777.db2.gz PCCDSZDCWXLGQV-NVXWUHKLSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001332408435 951634784 /nfs/dbraw/zinc/63/47/84/951634784.db2.gz PCCDSZDCWXLGQV-NVXWUHKLSA-N 2 1 304.438 0.821 20 30 DCEDMP C=CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001274479965 951655785 /nfs/dbraw/zinc/65/57/85/951655785.db2.gz OJEGDLIGEVMCBM-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@@]12CCN(CCn1ccnc1)C2=O ZINC001274617344 951744557 /nfs/dbraw/zinc/74/45/57/951744557.db2.gz XKINGXLYOFBQJR-SJORKVTESA-N 2 1 318.421 0.887 20 30 DCEDMP C=CCN(CC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1)C(=O)OCC ZINC001274929256 951897754 /nfs/dbraw/zinc/89/77/54/951897754.db2.gz JGENSGQYDXXCLR-UHFFFAOYSA-N 2 1 324.469 0.810 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001275043082 951939654 /nfs/dbraw/zinc/93/96/54/951939654.db2.gz YHXDBZFNUUTTPY-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC001334145712 952246927 /nfs/dbraw/zinc/24/69/27/952246927.db2.gz VFXATJDLAQRZJP-CQSZACIVSA-N 2 1 318.425 0.664 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC001334145712 952246931 /nfs/dbraw/zinc/24/69/31/952246931.db2.gz VFXATJDLAQRZJP-CQSZACIVSA-N 2 1 318.425 0.664 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC001275729801 952411041 /nfs/dbraw/zinc/41/10/41/952411041.db2.gz PHYZFTDJMNIHEJ-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001490822833 953049912 /nfs/dbraw/zinc/04/99/12/953049912.db2.gz OIRJWUIWUCHQPS-LSDHHAIUSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001341732434 953248326 /nfs/dbraw/zinc/24/83/26/953248326.db2.gz JXFPCCMRUXCXLD-JKSUJKDBSA-N 2 1 308.470 0.908 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCOC ZINC001281940963 953424207 /nfs/dbraw/zinc/42/42/07/953424207.db2.gz DWVJJYSJPQYVJV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCOC ZINC001281940963 953424216 /nfs/dbraw/zinc/42/42/16/953424216.db2.gz DWVJJYSJPQYVJV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCOC ZINC001281940963 953424228 /nfs/dbraw/zinc/42/42/28/953424228.db2.gz DWVJJYSJPQYVJV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCOC ZINC001281940963 953424231 /nfs/dbraw/zinc/42/42/31/953424231.db2.gz DWVJJYSJPQYVJV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001316618136 953522383 /nfs/dbraw/zinc/52/23/83/953522383.db2.gz OVUAUJWQYDUKIZ-NCOADZHNSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001316618136 953522388 /nfs/dbraw/zinc/52/23/88/953522388.db2.gz OVUAUJWQYDUKIZ-NCOADZHNSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CC[NH2+]CC(=O)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001345190110 953612836 /nfs/dbraw/zinc/61/28/36/953612836.db2.gz DAPRQGXALQSGDO-LSDHHAIUSA-N 2 1 313.401 0.718 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001480740024 954718054 /nfs/dbraw/zinc/71/80/54/954718054.db2.gz UPDBVRKWSKMCPN-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001480740024 954718059 /nfs/dbraw/zinc/71/80/59/954718059.db2.gz UPDBVRKWSKMCPN-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001480740024 954718070 /nfs/dbraw/zinc/71/80/70/954718070.db2.gz UPDBVRKWSKMCPN-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001316651078 957035610 /nfs/dbraw/zinc/03/56/10/957035610.db2.gz MMZGSJZLKSBELP-YYIAUSFCSA-N 2 1 321.465 0.851 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001491578354 958872894 /nfs/dbraw/zinc/87/28/94/958872894.db2.gz CULBRYUXXKPNCT-HIFRSBDPSA-N 2 1 318.421 0.498 20 30 DCEDMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379599385 963246016 /nfs/dbraw/zinc/24/60/16/963246016.db2.gz MAHGXXBHTOSCNR-WDEREUQCSA-N 2 1 304.232 0.941 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001392218999 991622612 /nfs/dbraw/zinc/62/26/12/991622612.db2.gz VXCJVUGDHNXZBJ-CHWSQXEVSA-N 2 1 303.834 0.800 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001392218999 991622617 /nfs/dbraw/zinc/62/26/17/991622617.db2.gz VXCJVUGDHNXZBJ-CHWSQXEVSA-N 2 1 303.834 0.800 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001507452203 1016335910 /nfs/dbraw/zinc/33/59/10/1016335910.db2.gz ITMLFNRHODMGKS-CABCVRRESA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001507452205 1016337563 /nfs/dbraw/zinc/33/75/63/1016337563.db2.gz ITMLFNRHODMGKS-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001507478917 1016382583 /nfs/dbraw/zinc/38/25/83/1016382583.db2.gz OFEDCBHMDFIITM-WFASDCNBSA-N 2 1 321.425 0.385 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001507478917 1016382597 /nfs/dbraw/zinc/38/25/97/1016382597.db2.gz OFEDCBHMDFIITM-WFASDCNBSA-N 2 1 321.425 0.385 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403897606 1002702799 /nfs/dbraw/zinc/70/27/99/1002702799.db2.gz DXSSVOKJISGOEU-UONOGXRCSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001403897606 1002702762 /nfs/dbraw/zinc/70/27/62/1002702762.db2.gz DXSSVOKJISGOEU-UONOGXRCSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001403897606 1002702775 /nfs/dbraw/zinc/70/27/75/1002702775.db2.gz DXSSVOKJISGOEU-UONOGXRCSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403897606 1002702787 /nfs/dbraw/zinc/70/27/87/1002702787.db2.gz DXSSVOKJISGOEU-UONOGXRCSA-N 2 1 317.861 0.832 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001508178220 1016687241 /nfs/dbraw/zinc/68/72/41/1016687241.db2.gz KMYWTJFWXPGSDD-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001406297453 1003579601 /nfs/dbraw/zinc/57/96/01/1003579601.db2.gz FXHODXHWRGYTAX-CHWSQXEVSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407382642 1004609815 /nfs/dbraw/zinc/60/98/15/1004609815.db2.gz XYLHOCWKBRCBQT-DZGCQCFKSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001407382642 1004609822 /nfs/dbraw/zinc/60/98/22/1004609822.db2.gz XYLHOCWKBRCBQT-DZGCQCFKSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001407382642 1004609827 /nfs/dbraw/zinc/60/98/27/1004609827.db2.gz XYLHOCWKBRCBQT-DZGCQCFKSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001407382642 1004609831 /nfs/dbraw/zinc/60/98/31/1004609831.db2.gz XYLHOCWKBRCBQT-DZGCQCFKSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001438704565 1006048669 /nfs/dbraw/zinc/04/86/69/1006048669.db2.gz RNKWSMULDJGFPX-CYBMUJFWSA-N 2 1 303.834 0.898 20 30 DCEDMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(C#N)c1 ZINC001437121005 1006612044 /nfs/dbraw/zinc/61/20/44/1006612044.db2.gz IROOXGNKBOLOAA-XJKSGUPXSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(C#N)c1 ZINC001437121005 1006612053 /nfs/dbraw/zinc/61/20/53/1006612053.db2.gz IROOXGNKBOLOAA-XJKSGUPXSA-N 2 1 316.405 0.483 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001439890505 1007288177 /nfs/dbraw/zinc/28/81/77/1007288177.db2.gz SYXYERDGPLRZQG-HIFRSBDPSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001439890505 1007288182 /nfs/dbraw/zinc/28/81/82/1007288182.db2.gz SYXYERDGPLRZQG-HIFRSBDPSA-N 2 1 315.845 0.898 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001499352029 1017877897 /nfs/dbraw/zinc/87/78/97/1017877897.db2.gz IJCLIMXVGVYORR-UHFFFAOYSA-N 2 1 309.454 0.853 20 30 DCEDMP CC#CC[N@H+](CCOC)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001499538691 1017963262 /nfs/dbraw/zinc/96/32/62/1017963262.db2.gz KRBPYXRKQZXJLU-UHFFFAOYSA-N 2 1 318.421 0.846 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001495109724 1018322003 /nfs/dbraw/zinc/32/20/03/1018322003.db2.gz XIUROBIGZPMTRS-STQMWFEESA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001495109724 1018322013 /nfs/dbraw/zinc/32/20/13/1018322013.db2.gz XIUROBIGZPMTRS-STQMWFEESA-N 2 1 303.834 0.944 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001495667348 1018638143 /nfs/dbraw/zinc/63/81/43/1018638143.db2.gz QJWMVXOGURQZFT-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500763534 1018641545 /nfs/dbraw/zinc/64/15/45/1018641545.db2.gz VKHGTVHDIBTJEG-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480674280 1018766496 /nfs/dbraw/zinc/76/64/96/1018766496.db2.gz MYGABGKDPPDAHT-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001493127782 1019123358 /nfs/dbraw/zinc/12/33/58/1019123358.db2.gz GCWHDSIILVRNFL-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001493127782 1019123366 /nfs/dbraw/zinc/12/33/66/1019123366.db2.gz GCWHDSIILVRNFL-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001493127782 1019123369 /nfs/dbraw/zinc/12/33/69/1019123369.db2.gz GCWHDSIILVRNFL-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001494273781 1020110913 /nfs/dbraw/zinc/11/09/13/1020110913.db2.gz YZQPLAFXDGJIGY-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001494273781 1020110915 /nfs/dbraw/zinc/11/09/15/1020110915.db2.gz YZQPLAFXDGJIGY-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494286620 1020114903 /nfs/dbraw/zinc/11/49/03/1020114903.db2.gz INBZEFQPKMCOSK-ZNMIVQPWSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494286620 1020114905 /nfs/dbraw/zinc/11/49/05/1020114905.db2.gz INBZEFQPKMCOSK-ZNMIVQPWSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494286614 1020115199 /nfs/dbraw/zinc/11/51/99/1020115199.db2.gz INBZEFQPKMCOSK-KFWWJZLASA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494286614 1020115202 /nfs/dbraw/zinc/11/52/02/1020115202.db2.gz INBZEFQPKMCOSK-KFWWJZLASA-N 2 1 324.469 0.598 20 30 DCEDMP NC(CCO)=[NH+]OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283411259 238390639 /nfs/dbraw/zinc/39/06/39/238390639.db2.gz ARQFRWMFOKJQRJ-HNNXBMFYSA-N 2 1 307.394 0.949 20 30 DCEDMP NC(CCO)=[NH+]OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283411259 238390646 /nfs/dbraw/zinc/39/06/46/238390646.db2.gz ARQFRWMFOKJQRJ-HNNXBMFYSA-N 2 1 307.394 0.949 20 30 DCEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264323879 396271306 /nfs/dbraw/zinc/27/13/06/396271306.db2.gz YHLOBJKLHAVMLP-AWEZNQCLSA-N 2 1 319.457 0.644 20 30 DCEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595978006 396702089 /nfs/dbraw/zinc/70/20/89/396702089.db2.gz RPMXPKWSYYDYKU-HOTGVXAUSA-N 2 1 321.469 0.634 20 30 DCEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595978006 396702093 /nfs/dbraw/zinc/70/20/93/396702093.db2.gz RPMXPKWSYYDYKU-HOTGVXAUSA-N 2 1 321.469 0.634 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000491819308 416631709 /nfs/dbraw/zinc/63/17/09/416631709.db2.gz SVCJHLYVHPTRCV-OAHLLOKOSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000491819308 416631712 /nfs/dbraw/zinc/63/17/12/416631712.db2.gz SVCJHLYVHPTRCV-OAHLLOKOSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000491819308 416631715 /nfs/dbraw/zinc/63/17/15/416631715.db2.gz SVCJHLYVHPTRCV-OAHLLOKOSA-N 2 1 310.442 0.088 20 30 DCEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000564572830 416892329 /nfs/dbraw/zinc/89/23/29/416892329.db2.gz VTEJJMHKHKTVNX-CYBMUJFWSA-N 3 1 316.409 0.793 20 30 DCEDMP C=CCCn1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000657347082 417852874 /nfs/dbraw/zinc/85/28/74/417852874.db2.gz SIFYEOJRVSBZPK-OAHLLOKOSA-N 2 1 306.458 0.827 20 30 DCEDMP C=CCCn1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)nn1 ZINC000657457957 417861599 /nfs/dbraw/zinc/86/15/99/417861599.db2.gz GKORQJGKWJHNLO-UHFFFAOYSA-N 2 1 306.458 0.970 20 30 DCEDMP C=CCCn1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)nn1 ZINC000657457957 417861604 /nfs/dbraw/zinc/86/16/04/417861604.db2.gz GKORQJGKWJHNLO-UHFFFAOYSA-N 2 1 306.458 0.970 20 30 DCEDMP C=CC[C@]1(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCC[NH2+]1 ZINC000662717553 417869652 /nfs/dbraw/zinc/86/96/52/417869652.db2.gz PCIWWGPSQZYWSV-HLLBOEOZSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CC[C@@]1(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662758894 417894679 /nfs/dbraw/zinc/89/46/79/417894679.db2.gz VASVDNDCAKYQEN-WBVHZDCISA-N 2 1 308.470 0.684 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245385849 275383690 /nfs/dbraw/zinc/38/36/90/275383690.db2.gz HRZRXYNHTMSUKQ-OWCLPIDISA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000150715041 332406249 /nfs/dbraw/zinc/40/62/49/332406249.db2.gz XHQJVDPFWYZMSJ-OAHLLOKOSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920665 1160535113 /nfs/dbraw/zinc/53/51/13/1160535113.db2.gz JFUKVIJEVHASGZ-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920665 1160535122 /nfs/dbraw/zinc/53/51/22/1160535122.db2.gz JFUKVIJEVHASGZ-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CCN1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567921912 1160536792 /nfs/dbraw/zinc/53/67/92/1160536792.db2.gz IVRREIBKQMUPIU-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567921912 1160536801 /nfs/dbraw/zinc/53/68/01/1160536801.db2.gz IVRREIBKQMUPIU-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567921912 1160536808 /nfs/dbraw/zinc/53/68/08/1160536808.db2.gz IVRREIBKQMUPIU-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567921912 1160536828 /nfs/dbraw/zinc/53/68/28/1160536828.db2.gz IVRREIBKQMUPIU-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569968797 1161356602 /nfs/dbraw/zinc/35/66/02/1161356602.db2.gz OTUBYXUUEASMSA-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])N2CCOCC2)CCC[N@H+]1C ZINC000262674565 534321506 /nfs/dbraw/zinc/32/15/06/534321506.db2.gz SQISFGQASQASSE-DZGCQCFKSA-N 2 1 320.441 0.450 20 30 DCEDMP C[NH+]=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC1CC1 ZINC000264074805 526354890 /nfs/dbraw/zinc/35/48/90/526354890.db2.gz SNTAWLSLPNIIRP-UHFFFAOYSA-N 2 1 316.453 0.921 20 30 DCEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262363171 526379209 /nfs/dbraw/zinc/37/92/09/526379209.db2.gz HFASLNJCOMKQEE-LALPHHSUSA-N 2 1 312.483 0.645 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028193678 661269790 /nfs/dbraw/zinc/26/97/90/661269790.db2.gz YALCFAUSBJMLEU-HNNXBMFYSA-N 2 1 303.410 0.272 20 30 DCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676636 657551353 /nfs/dbraw/zinc/55/13/53/657551353.db2.gz GDDUZPQMLXLFSY-CABCVRRESA-N 2 1 305.426 0.532 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676636 657551359 /nfs/dbraw/zinc/55/13/59/657551359.db2.gz GDDUZPQMLXLFSY-CABCVRRESA-N 2 1 305.426 0.532 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001021904671 658638412 /nfs/dbraw/zinc/63/84/12/658638412.db2.gz BPHLZGKCHJWRRH-LJISPDSOSA-N 2 1 320.437 0.104 20 30 DCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970170213 658687925 /nfs/dbraw/zinc/68/79/25/658687925.db2.gz QJAJVTIODZKTIE-DFFOAJLQSA-N 2 1 319.449 0.862 20 30 DCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970170496 658688976 /nfs/dbraw/zinc/68/89/76/658688976.db2.gz STJITZSQIPWMJE-GEMJLEDKSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419243 658743032 /nfs/dbraw/zinc/74/30/32/658743032.db2.gz CIQPFSYYDMMESZ-FUHWJXTLSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419243 658743036 /nfs/dbraw/zinc/74/30/36/658743036.db2.gz CIQPFSYYDMMESZ-FUHWJXTLSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]12 ZINC001026378175 659259889 /nfs/dbraw/zinc/25/98/89/659259889.db2.gz UMERZQJUFXWDPO-OWCLPIDISA-N 2 1 307.438 0.721 20 30 DCEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027441833 659482531 /nfs/dbraw/zinc/48/25/31/659482531.db2.gz XBCXJEMQJLBBIK-HZPDHXFCSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027441833 659482533 /nfs/dbraw/zinc/48/25/33/659482533.db2.gz XBCXJEMQJLBBIK-HZPDHXFCSA-N 2 1 319.453 0.922 20 30 DCEDMP C#CCN1C[C@H](NC(=O)[C@@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000974750052 659657093 /nfs/dbraw/zinc/65/70/93/659657093.db2.gz HXDGDBGIUCNYDB-HIFRSBDPSA-N 2 1 300.406 0.905 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)COC)CC1 ZINC001028333550 661462579 /nfs/dbraw/zinc/46/25/79/661462579.db2.gz NZDHDVNOKDATOJ-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028767416 661815444 /nfs/dbraw/zinc/81/54/44/661815444.db2.gz NERFRATVBSPPCY-LSDHHAIUSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028767416 661815445 /nfs/dbraw/zinc/81/54/45/661815445.db2.gz NERFRATVBSPPCY-LSDHHAIUSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648942 665822409 /nfs/dbraw/zinc/82/24/09/665822409.db2.gz JXKMYBSIIRVVFT-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648942 665822410 /nfs/dbraw/zinc/82/24/10/665822410.db2.gz JXKMYBSIIRVVFT-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648942 665822411 /nfs/dbraw/zinc/82/24/11/665822411.db2.gz JXKMYBSIIRVVFT-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648942 665822412 /nfs/dbraw/zinc/82/24/12/665822412.db2.gz JXKMYBSIIRVVFT-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648942 665822413 /nfs/dbraw/zinc/82/24/13/665822413.db2.gz JXKMYBSIIRVVFT-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@H](C)O)CC1 ZINC001000790149 665928702 /nfs/dbraw/zinc/92/87/02/665928702.db2.gz GBKCRRUJHDGPPL-HOCLYGCPSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@H](C)O)CC1 ZINC001000790149 665928707 /nfs/dbraw/zinc/92/87/07/665928707.db2.gz GBKCRRUJHDGPPL-HOCLYGCPSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H](C)O)CC1 ZINC001000790149 665928708 /nfs/dbraw/zinc/92/87/08/665928708.db2.gz GBKCRRUJHDGPPL-HOCLYGCPSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H](C)O)CC1 ZINC001000790149 665928710 /nfs/dbraw/zinc/92/87/10/665928710.db2.gz GBKCRRUJHDGPPL-HOCLYGCPSA-N 2 1 305.422 0.213 20 30 DCEDMP C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1(C[NH3+])CCOCC1 ZINC000903810041 663486951 /nfs/dbraw/zinc/48/69/51/663486951.db2.gz SPKQMOBURAGAEG-OAHLLOKOSA-N 2 1 319.405 0.738 20 30 DCEDMP C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1(C[NH3+])CCOCC1 ZINC000903810041 663486953 /nfs/dbraw/zinc/48/69/53/663486953.db2.gz SPKQMOBURAGAEG-OAHLLOKOSA-N 2 1 319.405 0.738 20 30 DCEDMP CCO[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C[NH+](C)C ZINC000905580520 663566915 /nfs/dbraw/zinc/56/69/15/663566915.db2.gz OLAWZHWYLZFRAZ-CABCVRRESA-N 2 1 313.442 0.614 20 30 DCEDMP CN1CC[N@@H+](C)CC(C(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000906414601 663615739 /nfs/dbraw/zinc/61/57/39/663615739.db2.gz RVJABOZBOINZOQ-UHFFFAOYSA-N 2 1 309.458 0.174 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076316 665990329 /nfs/dbraw/zinc/99/03/29/665990329.db2.gz NDSJCFJZLMYWIJ-QGZVFWFLSA-N 2 1 319.449 0.867 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001076316 665990332 /nfs/dbraw/zinc/99/03/32/665990332.db2.gz NDSJCFJZLMYWIJ-QGZVFWFLSA-N 2 1 319.449 0.867 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001076316 665990333 /nfs/dbraw/zinc/99/03/33/665990333.db2.gz NDSJCFJZLMYWIJ-QGZVFWFLSA-N 2 1 319.449 0.867 20 30 DCEDMP COCC[NH+]=C(NCCC[NH+]1CCOCC1)NC(C)(C)C ZINC000912499578 664181246 /nfs/dbraw/zinc/18/12/46/664181246.db2.gz SJBXWBGSFJICFO-UHFFFAOYSA-N 2 1 300.447 0.689 20 30 DCEDMP CC(C)[C@H](C(=O)NCC#CC[NH+](C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000913517484 664336712 /nfs/dbraw/zinc/33/67/12/664336712.db2.gz CFGIOXKIDVPUDV-BZUAXINKSA-N 2 1 309.454 0.801 20 30 DCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689585 665290915 /nfs/dbraw/zinc/29/09/15/665290915.db2.gz WPRMMJVPGMATDW-HOTGVXAUSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997869527 665356228 /nfs/dbraw/zinc/35/62/28/665356228.db2.gz FOJWBJPLTQPJTF-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997869527 665356230 /nfs/dbraw/zinc/35/62/30/665356230.db2.gz FOJWBJPLTQPJTF-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000941676681 666039510 /nfs/dbraw/zinc/03/95/10/666039510.db2.gz DWEKBKIPMGYOMH-UHFFFAOYSA-N 2 1 320.481 0.877 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279728 666659570 /nfs/dbraw/zinc/65/95/70/666659570.db2.gz WQXFGNRXODWLTP-GWUWNPHMSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279728 666659572 /nfs/dbraw/zinc/65/95/72/666659572.db2.gz WQXFGNRXODWLTP-GWUWNPHMSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279728 666659574 /nfs/dbraw/zinc/65/95/74/666659574.db2.gz WQXFGNRXODWLTP-GWUWNPHMSA-N 2 1 305.422 0.568 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490521 666731070 /nfs/dbraw/zinc/73/10/70/666731070.db2.gz SPPSJVHDPUAPKC-MRXNPFEDSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997003156 667067288 /nfs/dbraw/zinc/06/72/88/667067288.db2.gz YUIYMESYTFHQTB-CQSZACIVSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCN(C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000921555537 667225851 /nfs/dbraw/zinc/22/58/51/667225851.db2.gz DKCWQOVXVMHRFH-GDBMZVCRSA-N 2 1 322.453 0.445 20 30 DCEDMP C#CCN(C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000921555537 667225854 /nfs/dbraw/zinc/22/58/54/667225854.db2.gz DKCWQOVXVMHRFH-GDBMZVCRSA-N 2 1 322.453 0.445 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997437106 667287244 /nfs/dbraw/zinc/28/72/44/667287244.db2.gz XEIHVYSMOWPWEX-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997437106 667287246 /nfs/dbraw/zinc/28/72/46/667287246.db2.gz XEIHVYSMOWPWEX-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000884161770 667487862 /nfs/dbraw/zinc/48/78/62/667487862.db2.gz MQPLFJWWTFMGSM-CABCVRRESA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000884161770 667487863 /nfs/dbraw/zinc/48/78/63/667487863.db2.gz MQPLFJWWTFMGSM-CABCVRRESA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000884161770 667487864 /nfs/dbraw/zinc/48/78/64/667487864.db2.gz MQPLFJWWTFMGSM-CABCVRRESA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000884161770 667487865 /nfs/dbraw/zinc/48/78/65/667487865.db2.gz MQPLFJWWTFMGSM-CABCVRRESA-N 2 1 308.426 0.104 20 30 DCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884233175 667506443 /nfs/dbraw/zinc/50/64/43/667506443.db2.gz LAGCBWREKXOMKD-MLKZBXRZSA-N 2 1 302.422 0.725 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000923556122 667563001 /nfs/dbraw/zinc/56/30/01/667563001.db2.gz UWYFKJCHEOEEFW-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000923556122 667563003 /nfs/dbraw/zinc/56/30/03/667563003.db2.gz UWYFKJCHEOEEFW-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021990 667699104 /nfs/dbraw/zinc/69/91/04/667699104.db2.gz MDTOYSXYVOOXPV-ZACQAIPSSA-N 3 1 320.481 0.282 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021990 667699108 /nfs/dbraw/zinc/69/91/08/667699108.db2.gz MDTOYSXYVOOXPV-ZACQAIPSSA-N 3 1 320.481 0.282 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)CC[NH+]2CCN(CC)CC2)CC1 ZINC000743493445 667809360 /nfs/dbraw/zinc/80/93/60/667809360.db2.gz TXZITAXGTBMDIE-UHFFFAOYSA-N 2 1 320.481 0.618 20 30 DCEDMP N#Cc1ccc(N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cn1 ZINC000872146200 667867835 /nfs/dbraw/zinc/86/78/35/667867835.db2.gz HXCOQSXUEGHORJ-INIZCTEOSA-N 2 1 313.405 0.596 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000747568420 667907110 /nfs/dbraw/zinc/90/71/10/667907110.db2.gz VDKQGORVTHSFPL-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000747568420 667907112 /nfs/dbraw/zinc/90/71/12/667907112.db2.gz VDKQGORVTHSFPL-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000104183663 667964285 /nfs/dbraw/zinc/96/42/85/667964285.db2.gz KVIRFJQXLNAQGT-CYBMUJFWSA-N 2 1 304.398 0.409 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000890363446 668120137 /nfs/dbraw/zinc/12/01/37/668120137.db2.gz OVUZQLWHVHFNDG-HRCADAONSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000890363446 668120140 /nfs/dbraw/zinc/12/01/40/668120140.db2.gz OVUZQLWHVHFNDG-HRCADAONSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000890363446 668120142 /nfs/dbraw/zinc/12/01/42/668120142.db2.gz OVUZQLWHVHFNDG-HRCADAONSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000890363446 668120144 /nfs/dbraw/zinc/12/01/44/668120144.db2.gz OVUZQLWHVHFNDG-HRCADAONSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000759740183 668234443 /nfs/dbraw/zinc/23/44/43/668234443.db2.gz NFVQEQAAYYVRQT-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000759740183 668234445 /nfs/dbraw/zinc/23/44/45/668234445.db2.gz NFVQEQAAYYVRQT-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000759740183 668234450 /nfs/dbraw/zinc/23/44/50/668234450.db2.gz NFVQEQAAYYVRQT-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000759740183 668234452 /nfs/dbraw/zinc/23/44/52/668234452.db2.gz NFVQEQAAYYVRQT-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000764631653 668455617 /nfs/dbraw/zinc/45/56/17/668455617.db2.gz UCBCSRKAVYKFPM-QGZVFWFLSA-N 2 1 317.433 0.640 20 30 DCEDMP C#CCC1(O)CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000880479221 669216559 /nfs/dbraw/zinc/21/65/59/669216559.db2.gz MTGUZKDLUAKLGK-UHFFFAOYSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841710 670214547 /nfs/dbraw/zinc/21/45/47/670214547.db2.gz CCFQKIVBISJTLB-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841710 670214551 /nfs/dbraw/zinc/21/45/51/670214551.db2.gz CCFQKIVBISJTLB-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000816750767 670857918 /nfs/dbraw/zinc/85/79/18/670857918.db2.gz RNSFVILNVZXJCK-IAGOWNOFSA-N 2 1 319.449 0.653 20 30 DCEDMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852857203 671175684 /nfs/dbraw/zinc/17/56/84/671175684.db2.gz LWCISANPMCIXBZ-GJZGRUSLSA-N 2 1 321.465 0.993 20 30 DCEDMP CC(C)CCNC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303986780 685209187 /nfs/dbraw/zinc/20/91/87/685209187.db2.gz UWPSMKVZAAUMQP-CQSZACIVSA-N 2 1 311.474 0.880 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NC1CCCCC1 ZINC000303986935 685210019 /nfs/dbraw/zinc/21/00/19/685210019.db2.gz UZENTTKOEQSTMJ-CQSZACIVSA-N 2 1 309.458 0.824 20 30 DCEDMP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000304824671 685211500 /nfs/dbraw/zinc/21/15/00/685211500.db2.gz FWSRGSPZAVMTTA-HUUCEWRRSA-N 3 1 313.490 0.732 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@@H](CC)OC)CC2)CC1 ZINC000957776548 687181138 /nfs/dbraw/zinc/18/11/38/687181138.db2.gz MELBSZRECGDBCT-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958261772 687490334 /nfs/dbraw/zinc/49/03/34/687490334.db2.gz AQGUNGOFRCYNIO-HOCLYGCPSA-N 2 1 312.373 0.380 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC000958580319 687767862 /nfs/dbraw/zinc/76/78/62/687767862.db2.gz FJTCNNZYMBDZMA-IAGOWNOFSA-N 2 1 321.465 0.703 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000961789837 688734714 /nfs/dbraw/zinc/73/47/14/688734714.db2.gz NYGHMMOMNFAORU-FOLVSLTJSA-N 2 1 314.389 0.564 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000961789837 688734717 /nfs/dbraw/zinc/73/47/17/688734717.db2.gz NYGHMMOMNFAORU-FOLVSLTJSA-N 2 1 314.389 0.564 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000968956863 690434994 /nfs/dbraw/zinc/43/49/94/690434994.db2.gz XPNXNSBZFWDKFP-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000968956863 690434997 /nfs/dbraw/zinc/43/49/97/690434997.db2.gz XPNXNSBZFWDKFP-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001009631453 691077818 /nfs/dbraw/zinc/07/78/18/691077818.db2.gz YRIWZFDOEYUMNE-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073086977 694703831 /nfs/dbraw/zinc/70/38/31/694703831.db2.gz DQUHNWXFPYAYEW-UHFFFAOYSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661688 694761697 /nfs/dbraw/zinc/76/16/97/694761697.db2.gz BSSQWVFYEJZVKO-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073661688 694761698 /nfs/dbraw/zinc/76/16/98/694761698.db2.gz BSSQWVFYEJZVKO-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001073661688 694761699 /nfs/dbraw/zinc/76/16/99/694761699.db2.gz BSSQWVFYEJZVKO-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001073673002 694764301 /nfs/dbraw/zinc/76/43/01/694764301.db2.gz SEWOYPFMQHOYIO-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001073673002 694764302 /nfs/dbraw/zinc/76/43/02/694764302.db2.gz SEWOYPFMQHOYIO-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001073673002 694764304 /nfs/dbraw/zinc/76/43/04/694764304.db2.gz SEWOYPFMQHOYIO-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001073673002 694764305 /nfs/dbraw/zinc/76/43/05/694764305.db2.gz SEWOYPFMQHOYIO-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755493 694777629 /nfs/dbraw/zinc/77/76/29/694777629.db2.gz ALQCYLTVMPUPAA-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073756132 694777655 /nfs/dbraw/zinc/77/76/55/694777655.db2.gz UCLQYYNNSNDAHS-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001073841556 694790231 /nfs/dbraw/zinc/79/02/31/694790231.db2.gz NIIFKDVCVGVMSV-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001073841556 694790232 /nfs/dbraw/zinc/79/02/32/694790232.db2.gz NIIFKDVCVGVMSV-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cnon2)CC1 ZINC001570654071 1162575319 /nfs/dbraw/zinc/57/53/19/1162575319.db2.gz ZRAVQIRRTAHHFV-CHWSQXEVSA-N 2 1 319.409 0.398 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001570718444 1162597671 /nfs/dbraw/zinc/59/76/71/1162597671.db2.gz WJGCSBFITJLXDT-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCOCC[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001570861469 1162636608 /nfs/dbraw/zinc/63/66/08/1162636608.db2.gz BKAFHQQSYRDHMA-ZDUSSCGKSA-N 2 1 306.410 0.831 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001754631373 1157810124 /nfs/dbraw/zinc/81/01/24/1157810124.db2.gz OSNUZOMYPXSVFH-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001754777827 1157858237 /nfs/dbraw/zinc/85/82/37/1157858237.db2.gz DIFASZFFLWXCAS-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCOC)CC1 ZINC001565835272 1159905721 /nfs/dbraw/zinc/90/57/21/1159905721.db2.gz KJZGAZUGSVEALV-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001566059516 1159957338 /nfs/dbraw/zinc/95/73/38/1159957338.db2.gz VETMAOTURKUMAN-INIZCTEOSA-N 2 1 307.438 0.368 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001566653049 1160112677 /nfs/dbraw/zinc/11/26/77/1160112677.db2.gz AIGVRGXGACVWTO-UHFFFAOYSA-N 2 1 320.481 0.474 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001567496870 1160396521 /nfs/dbraw/zinc/39/65/21/1160396521.db2.gz AEUUVZZVFYMSFR-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)Cn2c[nH+]cc2C)C1=O ZINC001567532230 1160410131 /nfs/dbraw/zinc/41/01/31/1160410131.db2.gz SNLXRIMFCMLOHK-AWEZNQCLSA-N 2 1 319.409 0.026 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCOCC1 ZINC001568748815 1160759327 /nfs/dbraw/zinc/75/93/27/1160759327.db2.gz LMYQVRPJXBAGKN-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCOCC1 ZINC001568748815 1160759333 /nfs/dbraw/zinc/75/93/33/1160759333.db2.gz LMYQVRPJXBAGKN-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001569307080 1161006464 /nfs/dbraw/zinc/00/64/64/1161006464.db2.gz AZHOKXVMMXXECU-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)CC1)[NH+](C)C ZINC001570184241 1161485737 /nfs/dbraw/zinc/48/57/37/1161485737.db2.gz ZLFJSBSYIGLJJP-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001570285177 1161543085 /nfs/dbraw/zinc/54/30/85/1161543085.db2.gz AKJQFEQLOZZDGX-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001570289183 1161546760 /nfs/dbraw/zinc/54/67/60/1161546760.db2.gz JPCBIHYVKDFTRU-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001570291195 1161547653 /nfs/dbraw/zinc/54/76/53/1161547653.db2.gz MPNPKZFGDAIBJN-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001646149805 1172274772 /nfs/dbraw/zinc/27/47/72/1172274772.db2.gz CEOHBKHUMOTOGV-QVCPJDEESA-N 2 1 304.438 0.924 20 30 DCEDMP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001656780280 1173884102 /nfs/dbraw/zinc/88/41/02/1173884102.db2.gz SQILACRHBGXJDA-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001660369259 1173984954 /nfs/dbraw/zinc/98/49/54/1173984954.db2.gz UWHGIDHPWPWWRS-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001660930963 1174070899 /nfs/dbraw/zinc/07/08/99/1174070899.db2.gz WTSYGFURHWPNKX-SJORKVTESA-N 2 1 320.481 0.923 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOC(C)C)C1 ZINC001661435156 1174125509 /nfs/dbraw/zinc/12/55/09/1174125509.db2.gz IHZXWQNRQXJHDZ-JYJNAYRXSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOC(C)C)C1 ZINC001661435156 1174125512 /nfs/dbraw/zinc/12/55/12/1174125512.db2.gz IHZXWQNRQXJHDZ-JYJNAYRXSA-N 2 1 307.438 0.746 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001662686067 1174232071 /nfs/dbraw/zinc/23/20/71/1174232071.db2.gz VQFNFQRULLHVFJ-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001663536893 1174316473 /nfs/dbraw/zinc/31/64/73/1174316473.db2.gz GPFWHZMCXHVMGV-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC#CCOC)C1 ZINC001667695532 1174703288 /nfs/dbraw/zinc/70/32/88/1174703288.db2.gz XXXRZUCSBJJEPF-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC#CCOC)C1 ZINC001667695532 1174703290 /nfs/dbraw/zinc/70/32/90/1174703290.db2.gz XXXRZUCSBJJEPF-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC#CCOC)C1 ZINC001667695532 1174703294 /nfs/dbraw/zinc/70/32/94/1174703294.db2.gz XXXRZUCSBJJEPF-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCCCO1 ZINC001668869069 1174852941 /nfs/dbraw/zinc/85/29/41/1174852941.db2.gz VOINXXDIYMZFDQ-FDRQBBGKSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCCCO1 ZINC001668869069 1174852946 /nfs/dbraw/zinc/85/29/46/1174852946.db2.gz VOINXXDIYMZFDQ-FDRQBBGKSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCCO1 ZINC001668869072 1174853798 /nfs/dbraw/zinc/85/37/98/1174853798.db2.gz VOINXXDIYMZFDQ-XLYSIVADSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCCO1 ZINC001668869072 1174853801 /nfs/dbraw/zinc/85/38/01/1174853801.db2.gz VOINXXDIYMZFDQ-XLYSIVADSA-N 2 1 319.449 0.915 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001672096000 1175078529 /nfs/dbraw/zinc/07/85/29/1175078529.db2.gz CTQCRNDLJMVEMQ-UHFFFAOYSA-N 2 1 307.438 0.744 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001672538511 1175123007 /nfs/dbraw/zinc/12/30/07/1175123007.db2.gz RRVQSIBBOMAUPI-IAGOWNOFSA-N 2 1 319.449 0.797 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001673885843 1175237882 /nfs/dbraw/zinc/23/78/82/1175237882.db2.gz RFWVFHVTEIZKOH-HIFRSBDPSA-N 2 1 304.394 0.278 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001674154462 1175260715 /nfs/dbraw/zinc/26/07/15/1175260715.db2.gz LGYRKWIIOYJHSQ-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001674154462 1175260719 /nfs/dbraw/zinc/26/07/19/1175260719.db2.gz LGYRKWIIOYJHSQ-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001674154462 1175260720 /nfs/dbraw/zinc/26/07/20/1175260720.db2.gz LGYRKWIIOYJHSQ-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001674154462 1175260722 /nfs/dbraw/zinc/26/07/22/1175260722.db2.gz LGYRKWIIOYJHSQ-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675543882 1175371041 /nfs/dbraw/zinc/37/10/41/1175371041.db2.gz DKYOWGLRUKBVPP-VQHPVUNQSA-N 2 1 319.449 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675543882 1175371043 /nfs/dbraw/zinc/37/10/43/1175371043.db2.gz DKYOWGLRUKBVPP-VQHPVUNQSA-N 2 1 319.449 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675543882 1175371048 /nfs/dbraw/zinc/37/10/48/1175371048.db2.gz DKYOWGLRUKBVPP-VQHPVUNQSA-N 2 1 319.449 0.272 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001676114701 1175422106 /nfs/dbraw/zinc/42/21/06/1175422106.db2.gz OEXBVXOWTMIPGV-CQSZACIVSA-N 2 1 304.394 0.143 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001677138591 1175534833 /nfs/dbraw/zinc/53/48/33/1175534833.db2.gz UTJPYFZECAKVOY-HZPDHXFCSA-N 2 1 305.422 0.884 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001689207980 1176741319 /nfs/dbraw/zinc/74/13/19/1176741319.db2.gz GLBJRHUKJFXSMI-IAGOWNOFSA-N 2 1 323.481 0.881 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001690079553 1177163778 /nfs/dbraw/zinc/16/37/78/1177163778.db2.gz KHKMCAGXMURVGV-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001691907189 1177380969 /nfs/dbraw/zinc/38/09/69/1177380969.db2.gz IBBYVXCSVQEGRW-UHFFFAOYSA-N 2 1 317.393 0.006 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001698997485 1177761251 /nfs/dbraw/zinc/76/12/51/1177761251.db2.gz OQCRESFAUTWCHJ-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699260886 1178002349 /nfs/dbraw/zinc/00/23/49/1178002349.db2.gz MCHSMYBMRIWFBT-ZQXYTJGRSA-N 2 1 322.453 0.279 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699512710 1178174597 /nfs/dbraw/zinc/17/45/97/1178174597.db2.gz MLDIGAUGQFVRJU-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001699669759 1178245670 /nfs/dbraw/zinc/24/56/70/1178245670.db2.gz KVYRGGVCGPEUAO-UONOGXRCSA-N 2 1 322.453 0.257 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001699987466 1178407764 /nfs/dbraw/zinc/40/77/64/1178407764.db2.gz LTAPTKDZWHDOAO-WCXIOVBPSA-N 2 1 319.449 0.367 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001699987466 1178407769 /nfs/dbraw/zinc/40/77/69/1178407769.db2.gz LTAPTKDZWHDOAO-WCXIOVBPSA-N 2 1 319.449 0.367 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001699987466 1178407773 /nfs/dbraw/zinc/40/77/73/1178407773.db2.gz LTAPTKDZWHDOAO-WCXIOVBPSA-N 2 1 319.449 0.367 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001700005366 1178425208 /nfs/dbraw/zinc/42/52/08/1178425208.db2.gz KQIBXTUJRZDAMQ-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001700005366 1178425213 /nfs/dbraw/zinc/42/52/13/1178425213.db2.gz KQIBXTUJRZDAMQ-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC001700167668 1178512887 /nfs/dbraw/zinc/51/28/87/1178512887.db2.gz DMCCALBOUDRMFY-DLBZAZTESA-N 2 1 315.417 0.740 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001700853594 1178779181 /nfs/dbraw/zinc/77/91/81/1178779181.db2.gz KIVICZUQZBYZAU-HIFRSBDPSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001703399021 1179520853 /nfs/dbraw/zinc/52/08/53/1179520853.db2.gz RPIDCQJWJKKWNR-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001703399021 1179520858 /nfs/dbraw/zinc/52/08/58/1179520858.db2.gz RPIDCQJWJKKWNR-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[N@@H+](C)CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001707408383 1180492204 /nfs/dbraw/zinc/49/22/04/1180492204.db2.gz RPOUEQQPLGGXPY-UHFFFAOYSA-N 2 1 305.426 0.520 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713076972 1180669303 /nfs/dbraw/zinc/66/93/03/1180669303.db2.gz LXAOLYXQGAUADI-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713076972 1180669305 /nfs/dbraw/zinc/66/93/05/1180669305.db2.gz LXAOLYXQGAUADI-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713076972 1180669309 /nfs/dbraw/zinc/66/93/09/1180669309.db2.gz LXAOLYXQGAUADI-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001713513384 1180886317 /nfs/dbraw/zinc/88/63/17/1180886317.db2.gz DKSWSTJTXGSFIL-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@H](C(=O)NCC1C[NH+](CC#CCOC)C1)[NH+](CC)CC ZINC001713916790 1181146137 /nfs/dbraw/zinc/14/61/37/1181146137.db2.gz CWCBPEBBBYOUJJ-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001714115163 1181251385 /nfs/dbraw/zinc/25/13/85/1181251385.db2.gz LEAWDBOOTQQPIU-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001714115163 1181251391 /nfs/dbraw/zinc/25/13/91/1181251391.db2.gz LEAWDBOOTQQPIU-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001714884085 1181585305 /nfs/dbraw/zinc/58/53/05/1181585305.db2.gz GRKGNHKWAQXXTG-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001714884085 1181585309 /nfs/dbraw/zinc/58/53/09/1181585309.db2.gz GRKGNHKWAQXXTG-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001714884085 1181585314 /nfs/dbraw/zinc/58/53/14/1181585314.db2.gz GRKGNHKWAQXXTG-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001714884085 1181585316 /nfs/dbraw/zinc/58/53/16/1181585316.db2.gz GRKGNHKWAQXXTG-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C[C@@H](C)O)CC1 ZINC001714915138 1181600235 /nfs/dbraw/zinc/60/02/35/1181600235.db2.gz RXEYBYRZXUGVLT-WBVHZDCISA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)C[C@@H](C)O)CC1 ZINC001714915138 1181600240 /nfs/dbraw/zinc/60/02/40/1181600240.db2.gz RXEYBYRZXUGVLT-WBVHZDCISA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C[C@@H](C)O)CC1 ZINC001714915138 1181600243 /nfs/dbraw/zinc/60/02/43/1181600243.db2.gz RXEYBYRZXUGVLT-WBVHZDCISA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C[C@@H](C)O)CC1 ZINC001714915138 1181600246 /nfs/dbraw/zinc/60/02/46/1181600246.db2.gz RXEYBYRZXUGVLT-WBVHZDCISA-N 2 1 321.465 0.635 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001715005331 1181642373 /nfs/dbraw/zinc/64/23/73/1181642373.db2.gz WBZXOEVDIXOFFT-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001715005331 1181642375 /nfs/dbraw/zinc/64/23/75/1181642375.db2.gz WBZXOEVDIXOFFT-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001715121691 1181695606 /nfs/dbraw/zinc/69/56/06/1181695606.db2.gz AXBFZKPDBZHLIQ-RDJZCZTQSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001715121691 1181695609 /nfs/dbraw/zinc/69/56/09/1181695609.db2.gz AXBFZKPDBZHLIQ-RDJZCZTQSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001715608036 1181893735 /nfs/dbraw/zinc/89/37/35/1181893735.db2.gz LUOZDCSBMMAJCW-CQSZACIVSA-N 2 1 301.350 0.134 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001717004492 1182617688 /nfs/dbraw/zinc/61/76/88/1182617688.db2.gz NPLBQCNWWWFUCJ-ULQDDVLXSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001717004492 1182617691 /nfs/dbraw/zinc/61/76/91/1182617691.db2.gz NPLBQCNWWWFUCJ-ULQDDVLXSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCOCC)C1 ZINC001717551160 1182893114 /nfs/dbraw/zinc/89/31/14/1182893114.db2.gz NJZPVNMLNUPWEJ-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCOCC)C1 ZINC001717551160 1182893120 /nfs/dbraw/zinc/89/31/20/1182893120.db2.gz NJZPVNMLNUPWEJ-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001717553435 1182896428 /nfs/dbraw/zinc/89/64/28/1182896428.db2.gz RIGJWOPPXLRWAF-HOCLYGCPSA-N 2 1 309.454 0.659 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717709861 1182962667 /nfs/dbraw/zinc/96/26/67/1182962667.db2.gz AIZDXWSHSYRTQA-MRXNPFEDSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001724172252 1184394861 /nfs/dbraw/zinc/39/48/61/1184394861.db2.gz BAYIKGSMPZHXEX-BBRMVZONSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001724172252 1184394868 /nfs/dbraw/zinc/39/48/68/1184394868.db2.gz BAYIKGSMPZHXEX-BBRMVZONSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725188454 1184713607 /nfs/dbraw/zinc/71/36/07/1184713607.db2.gz GYVYBUQHOGRNTQ-AWEZNQCLSA-N 2 1 305.426 0.518 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001725319638 1184767696 /nfs/dbraw/zinc/76/76/96/1184767696.db2.gz QJCVZWPYAIFJMV-PHZGNYQRSA-N 2 1 318.421 0.688 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001725319638 1184767701 /nfs/dbraw/zinc/76/77/01/1184767701.db2.gz QJCVZWPYAIFJMV-PHZGNYQRSA-N 2 1 318.421 0.688 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001725715966 1184965134 /nfs/dbraw/zinc/96/51/34/1184965134.db2.gz WBVQVJYMOLTTBQ-HUUCEWRRSA-N 2 1 320.437 0.781 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001725715966 1184965138 /nfs/dbraw/zinc/96/51/38/1184965138.db2.gz WBVQVJYMOLTTBQ-HUUCEWRRSA-N 2 1 320.437 0.781 20 30 DCEDMP CC#CC[N@@H+](CC)CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001731323710 1185268026 /nfs/dbraw/zinc/26/80/26/1185268026.db2.gz GUZYJLSNMXGFQQ-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccnn1C ZINC001731599249 1185405182 /nfs/dbraw/zinc/40/51/82/1185405182.db2.gz PIRLRHSLADOERC-HOCLYGCPSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccnn1C ZINC001731599249 1185405188 /nfs/dbraw/zinc/40/51/88/1185405188.db2.gz PIRLRHSLADOERC-HOCLYGCPSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCCCOC)C2)CC1 ZINC001732117689 1185681165 /nfs/dbraw/zinc/68/11/65/1185681165.db2.gz FAPSYUYBPBQHFY-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001732171194 1185719030 /nfs/dbraw/zinc/71/90/30/1185719030.db2.gz RDZNFIYWSBFOIU-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001732493615 1185835124 /nfs/dbraw/zinc/83/51/24/1185835124.db2.gz DPWPHXGXLJOTPL-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001732999670 1186096914 /nfs/dbraw/zinc/09/69/14/1186096914.db2.gz WTNFFHYXLRKHAZ-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCCC ZINC001734328658 1186615536 /nfs/dbraw/zinc/61/55/36/1186615536.db2.gz NNCLFSBCOWPITQ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCCC ZINC001734328658 1186615537 /nfs/dbraw/zinc/61/55/37/1186615537.db2.gz NNCLFSBCOWPITQ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001734459711 1186658603 /nfs/dbraw/zinc/65/86/03/1186658603.db2.gz NKXTZVCAYBKBRI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001734459711 1186658607 /nfs/dbraw/zinc/65/86/07/1186658607.db2.gz NKXTZVCAYBKBRI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001734528314 1186678479 /nfs/dbraw/zinc/67/84/79/1186678479.db2.gz WGTXMHMCOWJXSA-HOTGVXAUSA-N 2 1 309.454 0.682 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001752921483 1188461908 /nfs/dbraw/zinc/46/19/08/1188461908.db2.gz SKYWHRNETBIVAB-KBPBESRZSA-N 2 1 310.442 0.208 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752978641 1188470752 /nfs/dbraw/zinc/47/07/52/1188470752.db2.gz QAQDSFNCDKJKID-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001752997707 1188473820 /nfs/dbraw/zinc/47/38/20/1188473820.db2.gz XUYZPDHLTYCKEG-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001752997707 1188473822 /nfs/dbraw/zinc/47/38/22/1188473822.db2.gz XUYZPDHLTYCKEG-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001752997707 1188473827 /nfs/dbraw/zinc/47/38/27/1188473827.db2.gz XUYZPDHLTYCKEG-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001753134536 1188512078 /nfs/dbraw/zinc/51/20/78/1188512078.db2.gz BRCRUZVKDHQMRZ-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001753134536 1188512080 /nfs/dbraw/zinc/51/20/80/1188512080.db2.gz BRCRUZVKDHQMRZ-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001753445822 1188599635 /nfs/dbraw/zinc/59/96/35/1188599635.db2.gz AYEIVTLQPRYPNC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001753445822 1188599638 /nfs/dbraw/zinc/59/96/38/1188599638.db2.gz AYEIVTLQPRYPNC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001753445822 1188599640 /nfs/dbraw/zinc/59/96/40/1188599640.db2.gz AYEIVTLQPRYPNC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001753445822 1188599642 /nfs/dbraw/zinc/59/96/42/1188599642.db2.gz AYEIVTLQPRYPNC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001754103498 1188740526 /nfs/dbraw/zinc/74/05/26/1188740526.db2.gz KUFNZWPYMPGTEJ-VQGNRHNMSA-N 2 1 320.437 0.130 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001754709983 1188909794 /nfs/dbraw/zinc/90/97/94/1188909794.db2.gz VKIMOJMZJRNYBN-KRWDZBQOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(C)C)C1 ZINC001755003243 1188992589 /nfs/dbraw/zinc/99/25/89/1188992589.db2.gz JBDLYEDQZFEBEP-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(C)C)C1 ZINC001755003243 1188992591 /nfs/dbraw/zinc/99/25/91/1188992591.db2.gz JBDLYEDQZFEBEP-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCF)C1 ZINC001755003222 1188992983 /nfs/dbraw/zinc/99/29/83/1188992983.db2.gz ILYRUKHWKAZVDJ-CABCVRRESA-N 2 1 311.401 0.261 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCF)C1 ZINC001755003222 1188992985 /nfs/dbraw/zinc/99/29/85/1188992985.db2.gz ILYRUKHWKAZVDJ-CABCVRRESA-N 2 1 311.401 0.261 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(N)=O ZINC001755282330 1189069144 /nfs/dbraw/zinc/06/91/44/1189069144.db2.gz NTTDUOXVWIZOSW-KGLIPLIRSA-N 2 1 322.453 0.032 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(N)=O ZINC001755282330 1189069148 /nfs/dbraw/zinc/06/91/48/1189069148.db2.gz NTTDUOXVWIZOSW-KGLIPLIRSA-N 2 1 322.453 0.032 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001755435273 1189111381 /nfs/dbraw/zinc/11/13/81/1189111381.db2.gz DAXHHTBJIXLDLZ-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001755435273 1189111384 /nfs/dbraw/zinc/11/13/84/1189111384.db2.gz DAXHHTBJIXLDLZ-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001755435273 1189111387 /nfs/dbraw/zinc/11/13/87/1189111387.db2.gz DAXHHTBJIXLDLZ-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001755435273 1189111390 /nfs/dbraw/zinc/11/13/90/1189111390.db2.gz DAXHHTBJIXLDLZ-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532762 747018946 /nfs/dbraw/zinc/01/89/46/747018946.db2.gz DACLLSIAKAMYME-UHFFFAOYSA-N 2 1 313.442 0.036 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561616 747345656 /nfs/dbraw/zinc/34/56/56/747345656.db2.gz IXQDKSWOFKXSPJ-UHFFFAOYSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561616 747345660 /nfs/dbraw/zinc/34/56/60/747345660.db2.gz IXQDKSWOFKXSPJ-UHFFFAOYSA-N 2 1 304.394 0.110 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249508 747424683 /nfs/dbraw/zinc/42/46/83/747424683.db2.gz IKBXTYKTVNGNPX-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ccnc3C)[C@H]2C1 ZINC001083276318 747730681 /nfs/dbraw/zinc/73/06/81/747730681.db2.gz XSFJFTPSLFQWLE-LSDHHAIUSA-N 2 1 304.394 0.679 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083276318 747730694 /nfs/dbraw/zinc/73/06/94/747730694.db2.gz XSFJFTPSLFQWLE-LSDHHAIUSA-N 2 1 304.394 0.679 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100827454 748139428 /nfs/dbraw/zinc/13/94/28/748139428.db2.gz GHZBCEKXVLEWCO-NFOMZHRRSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757209 749979116 /nfs/dbraw/zinc/97/91/16/749979116.db2.gz NKNNDJRPYBOWGY-LQCZDEPNSA-N 2 1 303.406 0.062 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757209 749979123 /nfs/dbraw/zinc/97/91/23/749979123.db2.gz NKNNDJRPYBOWGY-LQCZDEPNSA-N 2 1 303.406 0.062 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757209 749979128 /nfs/dbraw/zinc/97/91/28/749979128.db2.gz NKNNDJRPYBOWGY-LQCZDEPNSA-N 2 1 303.406 0.062 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001077091037 750193111 /nfs/dbraw/zinc/19/31/11/750193111.db2.gz KAAQSAKSHIOICM-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001077091037 750193113 /nfs/dbraw/zinc/19/31/13/750193113.db2.gz KAAQSAKSHIOICM-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001077091037 750193115 /nfs/dbraw/zinc/19/31/15/750193115.db2.gz KAAQSAKSHIOICM-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105973957 750613133 /nfs/dbraw/zinc/61/31/33/750613133.db2.gz IANTUPTXPNKXNA-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105973957 750613135 /nfs/dbraw/zinc/61/31/35/750613135.db2.gz IANTUPTXPNKXNA-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077980410 752939863 /nfs/dbraw/zinc/93/98/63/752939863.db2.gz VKAORCMBZLSTOY-BZUAXINKSA-N 2 1 307.438 0.436 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010132 753412779 /nfs/dbraw/zinc/41/27/79/753412779.db2.gz JALBDZPRZPLNOC-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010132 753412782 /nfs/dbraw/zinc/41/27/82/753412782.db2.gz JALBDZPRZPLNOC-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010132 753412785 /nfs/dbraw/zinc/41/27/85/753412785.db2.gz JALBDZPRZPLNOC-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046041260 753444408 /nfs/dbraw/zinc/44/44/08/753444408.db2.gz PKHQEWQIRSPLAX-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041260 753444409 /nfs/dbraw/zinc/44/44/09/753444409.db2.gz PKHQEWQIRSPLAX-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041260 753444410 /nfs/dbraw/zinc/44/44/10/753444410.db2.gz PKHQEWQIRSPLAX-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)CC1 ZINC001046849546 753979167 /nfs/dbraw/zinc/97/91/67/753979167.db2.gz GTDAMJXJRIOKCO-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH+]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001113360888 762263314 /nfs/dbraw/zinc/26/33/14/762263314.db2.gz IUPFPSHMZPUFNP-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001047409689 754258315 /nfs/dbraw/zinc/25/83/15/754258315.db2.gz VTWQUKQVKIYCCQ-ILXRZTDVSA-N 2 1 316.405 0.287 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001047409689 754258318 /nfs/dbraw/zinc/25/83/18/754258318.db2.gz VTWQUKQVKIYCCQ-ILXRZTDVSA-N 2 1 316.405 0.287 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466631 762304833 /nfs/dbraw/zinc/30/48/33/762304833.db2.gz PMEGGNVXECEMOL-UHFFFAOYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129271644 754757827 /nfs/dbraw/zinc/75/78/27/754757827.db2.gz LKASBTQCJKNSQT-ILXRZTDVSA-N 2 1 320.441 0.536 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129271644 754757830 /nfs/dbraw/zinc/75/78/30/754757830.db2.gz LKASBTQCJKNSQT-ILXRZTDVSA-N 2 1 320.441 0.536 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276666 754842711 /nfs/dbraw/zinc/84/27/11/754842711.db2.gz QYAPCOXJUCMKIG-ILXRZTDVSA-N 2 1 320.441 0.536 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC001048825261 754963121 /nfs/dbraw/zinc/96/31/21/754963121.db2.gz NRQISAROYSLAIP-GASCZTMLSA-N 2 1 315.421 0.082 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834134 754967860 /nfs/dbraw/zinc/96/78/60/754967860.db2.gz ZVCOMEPLZCFEFL-QXSJWSMHSA-N 2 1 305.422 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834134 754967862 /nfs/dbraw/zinc/96/78/62/754967862.db2.gz ZVCOMEPLZCFEFL-QXSJWSMHSA-N 2 1 305.422 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834134 754967863 /nfs/dbraw/zinc/96/78/63/754967863.db2.gz ZVCOMEPLZCFEFL-QXSJWSMHSA-N 2 1 305.422 0.426 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048888911 754999644 /nfs/dbraw/zinc/99/96/44/754999644.db2.gz ARRVYEDPRYUIQN-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048888911 754999646 /nfs/dbraw/zinc/99/96/46/754999646.db2.gz ARRVYEDPRYUIQN-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048888911 754999648 /nfs/dbraw/zinc/99/96/48/754999648.db2.gz ARRVYEDPRYUIQN-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048888911 754999651 /nfs/dbraw/zinc/99/96/51/754999651.db2.gz ARRVYEDPRYUIQN-LVQVYYBASA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943434 755032713 /nfs/dbraw/zinc/03/27/13/755032713.db2.gz DEBGMYFBZBITHR-OWQJAQGESA-N 2 1 317.433 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943434 755032716 /nfs/dbraw/zinc/03/27/16/755032716.db2.gz DEBGMYFBZBITHR-OWQJAQGESA-N 2 1 317.433 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943434 755032720 /nfs/dbraw/zinc/03/27/20/755032720.db2.gz DEBGMYFBZBITHR-OWQJAQGESA-N 2 1 317.433 0.426 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049547850 755309557 /nfs/dbraw/zinc/30/95/57/755309557.db2.gz GVRJENYVRFOLCV-YYIAUSFCSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049547850 755309559 /nfs/dbraw/zinc/30/95/59/755309559.db2.gz GVRJENYVRFOLCV-YYIAUSFCSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547850 755309564 /nfs/dbraw/zinc/30/95/64/755309564.db2.gz GVRJENYVRFOLCV-YYIAUSFCSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547850 755309566 /nfs/dbraw/zinc/30/95/66/755309566.db2.gz GVRJENYVRFOLCV-YYIAUSFCSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001096584861 755433933 /nfs/dbraw/zinc/43/39/33/755433933.db2.gz YTAGYZODNSFWSR-FXUDXRNXSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001096584861 755433934 /nfs/dbraw/zinc/43/39/34/755433934.db2.gz YTAGYZODNSFWSR-FXUDXRNXSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001096584861 755433935 /nfs/dbraw/zinc/43/39/35/755433935.db2.gz YTAGYZODNSFWSR-FXUDXRNXSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001096584861 755433936 /nfs/dbraw/zinc/43/39/36/755433936.db2.gz YTAGYZODNSFWSR-FXUDXRNXSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001049903193 755441182 /nfs/dbraw/zinc/44/11/82/755441182.db2.gz WMELZDADJRVYAD-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001049903193 755441184 /nfs/dbraw/zinc/44/11/84/755441184.db2.gz WMELZDADJRVYAD-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCO)CC1 ZINC001049921511 755448065 /nfs/dbraw/zinc/44/80/65/755448065.db2.gz WSMTXAJMSZIFJO-SJORKVTESA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353993 755662022 /nfs/dbraw/zinc/66/20/22/755662022.db2.gz HHOQTBYWOHWGTI-CABCVRRESA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353993 755662025 /nfs/dbraw/zinc/66/20/25/755662025.db2.gz HHOQTBYWOHWGTI-CABCVRRESA-N 2 1 305.422 0.047 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564035 755680407 /nfs/dbraw/zinc/68/04/07/755680407.db2.gz XMCDKDUBMDDJDJ-PQIGMKOUSA-N 2 1 317.433 0.757 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001097564035 755680408 /nfs/dbraw/zinc/68/04/08/755680408.db2.gz XMCDKDUBMDDJDJ-PQIGMKOUSA-N 2 1 317.433 0.757 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001097564035 755680410 /nfs/dbraw/zinc/68/04/10/755680410.db2.gz XMCDKDUBMDDJDJ-PQIGMKOUSA-N 2 1 317.433 0.757 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C13CC[NH+](CC1)C3)CCO2 ZINC001053510505 756072625 /nfs/dbraw/zinc/07/26/25/756072625.db2.gz MTKMCHKUOZEPIA-UHFFFAOYSA-N 2 1 319.449 0.962 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803113 756213775 /nfs/dbraw/zinc/21/37/75/756213775.db2.gz KRMFSNTTWIUDEE-JKSUJKDBSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593063 756249677 /nfs/dbraw/zinc/24/96/77/756249677.db2.gz HIQJIMSKHVZTNF-GDBMZVCRSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#CC)C[C@H]2C)CC1 ZINC001080997432 756416757 /nfs/dbraw/zinc/41/67/57/756416757.db2.gz CYWKHCFOZLQKEC-NVXWUHKLSA-N 2 1 301.434 0.791 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001081948360 756875418 /nfs/dbraw/zinc/87/54/18/756875418.db2.gz VVEUURXXUHVDCH-HUUCEWRRSA-N 2 1 300.362 0.949 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001081948360 756875424 /nfs/dbraw/zinc/87/54/24/756875424.db2.gz VVEUURXXUHVDCH-HUUCEWRRSA-N 2 1 300.362 0.949 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082052988 756908325 /nfs/dbraw/zinc/90/83/25/756908325.db2.gz SHHCVOXOGHVMOX-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052988 756908327 /nfs/dbraw/zinc/90/83/27/756908327.db2.gz SHHCVOXOGHVMOX-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052988 756908331 /nfs/dbraw/zinc/90/83/31/756908331.db2.gz SHHCVOXOGHVMOX-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC)C[C@H]2OC)CC1 ZINC001082383169 757090367 /nfs/dbraw/zinc/09/03/67/757090367.db2.gz LFISCGVMCBZLKR-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202841 757483300 /nfs/dbraw/zinc/48/33/00/757483300.db2.gz WFRGRYYICRPSLG-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202841 757483306 /nfs/dbraw/zinc/48/33/06/757483306.db2.gz WFRGRYYICRPSLG-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)O)CC2 ZINC001050550176 757828543 /nfs/dbraw/zinc/82/85/43/757828543.db2.gz HTXFFHMKLZLCMY-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)O)CC2 ZINC001050550176 757828554 /nfs/dbraw/zinc/82/85/54/757828554.db2.gz HTXFFHMKLZLCMY-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001084844535 758077764 /nfs/dbraw/zinc/07/77/64/758077764.db2.gz XTJFLKRJOZQJGE-OAGGEKHMSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001084844535 758077775 /nfs/dbraw/zinc/07/77/75/758077775.db2.gz XTJFLKRJOZQJGE-OAGGEKHMSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844535 758077783 /nfs/dbraw/zinc/07/77/83/758077783.db2.gz XTJFLKRJOZQJGE-OAGGEKHMSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844535 758077793 /nfs/dbraw/zinc/07/77/93/758077793.db2.gz XTJFLKRJOZQJGE-OAGGEKHMSA-N 2 1 305.422 0.263 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001084910868 758120100 /nfs/dbraw/zinc/12/01/00/758120100.db2.gz FTIGEANSFJQXOZ-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084910868 758120110 /nfs/dbraw/zinc/12/01/10/758120110.db2.gz FTIGEANSFJQXOZ-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084910868 758120119 /nfs/dbraw/zinc/12/01/19/758120119.db2.gz FTIGEANSFJQXOZ-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910868 758120126 /nfs/dbraw/zinc/12/01/26/758120126.db2.gz FTIGEANSFJQXOZ-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910868 758120135 /nfs/dbraw/zinc/12/01/35/758120135.db2.gz FTIGEANSFJQXOZ-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970064 758147994 /nfs/dbraw/zinc/14/79/94/758147994.db2.gz MHBQDIIPVMRCME-WCXIOVBPSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970064 758148001 /nfs/dbraw/zinc/14/80/01/758148001.db2.gz MHBQDIIPVMRCME-WCXIOVBPSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970064 758148007 /nfs/dbraw/zinc/14/80/07/758148007.db2.gz MHBQDIIPVMRCME-WCXIOVBPSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970064 758148011 /nfs/dbraw/zinc/14/80/11/758148011.db2.gz MHBQDIIPVMRCME-WCXIOVBPSA-N 2 1 319.449 0.652 20 30 DCEDMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052107083 759184394 /nfs/dbraw/zinc/18/43/94/759184394.db2.gz ANJGYHFVXBWOPM-HOTGVXAUSA-N 2 1 319.453 0.070 20 30 DCEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052107083 759184398 /nfs/dbraw/zinc/18/43/98/759184398.db2.gz ANJGYHFVXBWOPM-HOTGVXAUSA-N 2 1 319.453 0.070 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052658367 759542395 /nfs/dbraw/zinc/54/23/95/759542395.db2.gz LKYUIVKKGMANMV-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052658367 759542399 /nfs/dbraw/zinc/54/23/99/759542399.db2.gz LKYUIVKKGMANMV-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658367 759542406 /nfs/dbraw/zinc/54/24/06/759542406.db2.gz LKYUIVKKGMANMV-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658367 759542410 /nfs/dbraw/zinc/54/24/10/759542410.db2.gz LKYUIVKKGMANMV-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566815 760894680 /nfs/dbraw/zinc/89/46/80/760894680.db2.gz OIRLUDZIWBRGFG-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127514 761158975 /nfs/dbraw/zinc/15/89/75/761158975.db2.gz WDWYPQXSUMOXEP-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611716 768019054 /nfs/dbraw/zinc/01/90/54/768019054.db2.gz KVGXQDNLAUWFII-UHFFFAOYSA-N 2 1 317.433 0.266 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475063 761263161 /nfs/dbraw/zinc/26/31/61/761263161.db2.gz BTHUGFSHBBORAX-NUEKZKHPSA-N 2 1 315.421 0.032 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148838940 768040595 /nfs/dbraw/zinc/04/05/95/768040595.db2.gz JBUUDJOYXKNJCB-UHFFFAOYSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148838940 768040599 /nfs/dbraw/zinc/04/05/99/768040599.db2.gz JBUUDJOYXKNJCB-UHFFFAOYSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148838940 768040603 /nfs/dbraw/zinc/04/06/03/768040603.db2.gz JBUUDJOYXKNJCB-UHFFFAOYSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148838940 768040607 /nfs/dbraw/zinc/04/06/07/768040607.db2.gz JBUUDJOYXKNJCB-UHFFFAOYSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001099169741 762825462 /nfs/dbraw/zinc/82/54/62/762825462.db2.gz XRHNQEFWMSJVBB-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001099169741 762825468 /nfs/dbraw/zinc/82/54/68/762825468.db2.gz XRHNQEFWMSJVBB-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099169741 762825475 /nfs/dbraw/zinc/82/54/75/762825475.db2.gz XRHNQEFWMSJVBB-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099169741 762825482 /nfs/dbraw/zinc/82/54/82/762825482.db2.gz XRHNQEFWMSJVBB-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298676 762926604 /nfs/dbraw/zinc/92/66/04/762926604.db2.gz PEMYCZNIIZPTBV-SUJAAXHWSA-N 2 1 307.438 0.576 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298676 762926607 /nfs/dbraw/zinc/92/66/07/762926607.db2.gz PEMYCZNIIZPTBV-SUJAAXHWSA-N 2 1 307.438 0.576 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298676 762926611 /nfs/dbraw/zinc/92/66/11/762926611.db2.gz PEMYCZNIIZPTBV-SUJAAXHWSA-N 2 1 307.438 0.576 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129422844 762935327 /nfs/dbraw/zinc/93/53/27/762935327.db2.gz MHWGCEQYCYLMSH-LSDHHAIUSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](OCC)C1CC1 ZINC001129770569 763007023 /nfs/dbraw/zinc/00/70/23/763007023.db2.gz IRVVZXIWNDKWDU-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](OCC)C1CC1 ZINC001129770569 763007026 /nfs/dbraw/zinc/00/70/26/763007026.db2.gz IRVVZXIWNDKWDU-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038536 763245187 /nfs/dbraw/zinc/24/51/87/763245187.db2.gz KEGFCNODAGFAGN-HOTGVXAUSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038536 763245195 /nfs/dbraw/zinc/24/51/95/763245195.db2.gz KEGFCNODAGFAGN-HOTGVXAUSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038536 763245205 /nfs/dbraw/zinc/24/52/05/763245205.db2.gz KEGFCNODAGFAGN-HOTGVXAUSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038536 763245211 /nfs/dbraw/zinc/24/52/11/763245211.db2.gz KEGFCNODAGFAGN-HOTGVXAUSA-N 2 1 309.454 0.683 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100064587 763272712 /nfs/dbraw/zinc/27/27/12/763272712.db2.gz OLVVLXJPYHLATL-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064587 763272716 /nfs/dbraw/zinc/27/27/16/763272716.db2.gz OLVVLXJPYHLATL-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064587 763272723 /nfs/dbraw/zinc/27/27/23/763272723.db2.gz OLVVLXJPYHLATL-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100383224 763535658 /nfs/dbraw/zinc/53/56/58/763535658.db2.gz QRERSSIHNHGMLZ-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758876 763767318 /nfs/dbraw/zinc/76/73/18/763767318.db2.gz SYFSMAYBOPYPRX-UHFFFAOYSA-N 2 1 315.845 0.946 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815855 764054642 /nfs/dbraw/zinc/05/46/42/764054642.db2.gz WXKIHDXJCMBIFM-UHFFFAOYSA-N 2 1 322.453 0.096 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001098477853 764141617 /nfs/dbraw/zinc/14/16/17/764141617.db2.gz MDHRNMWMWIREND-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477853 764141623 /nfs/dbraw/zinc/14/16/23/764141623.db2.gz MDHRNMWMWIREND-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477853 764141629 /nfs/dbraw/zinc/14/16/29/764141629.db2.gz MDHRNMWMWIREND-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098478866 764376987 /nfs/dbraw/zinc/37/69/87/764376987.db2.gz HVYBERRFPXAGHS-WBVHZDCISA-N 2 1 321.465 0.493 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098478866 764376995 /nfs/dbraw/zinc/37/69/95/764376995.db2.gz HVYBERRFPXAGHS-WBVHZDCISA-N 2 1 321.465 0.493 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001098478866 764376999 /nfs/dbraw/zinc/37/69/99/764376999.db2.gz HVYBERRFPXAGHS-WBVHZDCISA-N 2 1 321.465 0.493 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132441283 764460819 /nfs/dbraw/zinc/46/08/19/764460819.db2.gz MWSVPMQKTKEUTK-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132441283 764460823 /nfs/dbraw/zinc/46/08/23/764460823.db2.gz MWSVPMQKTKEUTK-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132441283 764460828 /nfs/dbraw/zinc/46/08/28/764460828.db2.gz MWSVPMQKTKEUTK-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132441283 764460831 /nfs/dbraw/zinc/46/08/31/764460831.db2.gz MWSVPMQKTKEUTK-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132441284 764461818 /nfs/dbraw/zinc/46/18/18/764461818.db2.gz MWSVPMQKTKEUTK-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132441284 764461821 /nfs/dbraw/zinc/46/18/21/764461821.db2.gz MWSVPMQKTKEUTK-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132441284 764461823 /nfs/dbraw/zinc/46/18/23/764461823.db2.gz MWSVPMQKTKEUTK-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132441284 764461826 /nfs/dbraw/zinc/46/18/26/764461826.db2.gz MWSVPMQKTKEUTK-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092287254 768265293 /nfs/dbraw/zinc/26/52/93/768265293.db2.gz XQDJZVGQMCKYAX-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092287254 768265298 /nfs/dbraw/zinc/26/52/98/768265298.db2.gz XQDJZVGQMCKYAX-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092287254 768265303 /nfs/dbraw/zinc/26/53/03/768265303.db2.gz XQDJZVGQMCKYAX-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092287254 768265307 /nfs/dbraw/zinc/26/53/07/768265307.db2.gz XQDJZVGQMCKYAX-RYRKJORJSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133895976 765212960 /nfs/dbraw/zinc/21/29/60/765212960.db2.gz AEIUUWFAFVNTEH-CYBMUJFWSA-N 2 1 310.442 0.115 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546231 765756185 /nfs/dbraw/zinc/75/61/85/765756185.db2.gz HUDJELQEZWRWRS-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090609221 766369239 /nfs/dbraw/zinc/36/92/39/766369239.db2.gz KMLRIMFPZUBZTP-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808684 766621719 /nfs/dbraw/zinc/62/17/19/766621719.db2.gz NLTVZHLVMVRZAL-GJZGRUSLSA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808684 766621723 /nfs/dbraw/zinc/62/17/23/766621723.db2.gz NLTVZHLVMVRZAL-GJZGRUSLSA-N 2 1 306.410 0.709 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842833 768402350 /nfs/dbraw/zinc/40/23/50/768402350.db2.gz RMCCFSFBKZEWLP-HCBPCCMXSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842833 768402355 /nfs/dbraw/zinc/40/23/55/768402355.db2.gz RMCCFSFBKZEWLP-HCBPCCMXSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842833 768402360 /nfs/dbraw/zinc/40/23/60/768402360.db2.gz RMCCFSFBKZEWLP-HCBPCCMXSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@H]2C)CC1 ZINC001093223810 768501659 /nfs/dbraw/zinc/50/16/59/768501659.db2.gz HRJXEWXUMHQCSD-GDBMZVCRSA-N 2 1 309.429 0.985 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291172 769059307 /nfs/dbraw/zinc/05/93/07/769059307.db2.gz KOJQNAYEHUTKNM-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588630 769132773 /nfs/dbraw/zinc/13/27/73/769132773.db2.gz PZQNNGHFOKAJFX-OAHLLOKOSA-N 2 1 313.442 0.348 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2cncn2C)C1 ZINC001150652843 769151064 /nfs/dbraw/zinc/15/10/64/769151064.db2.gz FHKXODJLZRESPZ-OAHLLOKOSA-N 2 1 304.394 0.193 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCc2cncn2C)C1 ZINC001150652843 769151072 /nfs/dbraw/zinc/15/10/72/769151072.db2.gz FHKXODJLZRESPZ-OAHLLOKOSA-N 2 1 304.394 0.193 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2=O)C1 ZINC001094713451 769170853 /nfs/dbraw/zinc/17/08/53/769170853.db2.gz BFIRIEZZLCANJS-ZFWWWQNUSA-N 2 1 320.437 0.058 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713451 769170856 /nfs/dbraw/zinc/17/08/56/769170856.db2.gz BFIRIEZZLCANJS-ZFWWWQNUSA-N 2 1 320.437 0.058 20 30 DCEDMP C#CCOc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1OC ZINC001234983398 769731987 /nfs/dbraw/zinc/73/19/87/769731987.db2.gz VHZIMSRVHKPIQS-GOSISDBHSA-N 2 1 315.417 0.845 20 30 DCEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153819344 769949459 /nfs/dbraw/zinc/94/94/59/769949459.db2.gz XGEKVWFZYAJMBF-HUUCEWRRSA-N 2 1 307.442 0.826 20 30 DCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153819344 769949465 /nfs/dbraw/zinc/94/94/65/769949465.db2.gz XGEKVWFZYAJMBF-HUUCEWRRSA-N 2 1 307.442 0.826 20 30 DCEDMP N#Cc1ccc(CC[NH+]2CCNCC[NH2+]CCNCC2)cc1 ZINC001235871096 769956455 /nfs/dbraw/zinc/95/64/55/769956455.db2.gz SYVPWAAYCKFXAA-UHFFFAOYSA-N 2 1 301.438 0.185 20 30 DCEDMP N#Cc1c[nH]c2ncnc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c12 ZINC001155363516 770477183 /nfs/dbraw/zinc/47/71/83/770477183.db2.gz NFXZGSSHFALPLU-ZDUSSCGKSA-N 2 1 311.393 0.689 20 30 DCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001178693216 770836439 /nfs/dbraw/zinc/83/64/39/770836439.db2.gz LFUHDSJVRSVPBM-MRXNPFEDSA-N 2 1 319.453 0.713 20 30 DCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249699 771628579 /nfs/dbraw/zinc/62/85/79/771628579.db2.gz SMQPENPJKAAZNQ-CVEARBPZSA-N 2 1 319.453 0.970 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCOC)C1 ZINC001183360996 771639112 /nfs/dbraw/zinc/63/91/12/771639112.db2.gz BGWGVAGBHBAOKI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCOC)C1 ZINC001183360996 771639119 /nfs/dbraw/zinc/63/91/19/771639119.db2.gz BGWGVAGBHBAOKI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157899045 771689332 /nfs/dbraw/zinc/68/93/32/771689332.db2.gz IAIOEWZIKMOZNN-LSDHHAIUSA-N 2 1 322.453 0.093 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185303997 771901895 /nfs/dbraw/zinc/90/18/95/771901895.db2.gz AGRPLTDCRJKENX-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP CCC(=O)On1nc2c(c1NC1=CCC[NH2+]C1)C[NH2+]C2(C)C ZINC001159392892 771904613 /nfs/dbraw/zinc/90/46/13/771904613.db2.gz ULXRGPKLJNNAMS-UHFFFAOYSA-N 2 1 305.382 0.876 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185669030 771945969 /nfs/dbraw/zinc/94/59/69/771945969.db2.gz MWHVPBDYQHJJOJ-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596808 772686959 /nfs/dbraw/zinc/68/69/59/772686959.db2.gz SHJPGVRUEXFBNR-HZPDHXFCSA-N 2 1 319.449 0.749 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190946345 772696414 /nfs/dbraw/zinc/69/64/14/772696414.db2.gz JFANVBBCCNQYEY-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001190946345 772696415 /nfs/dbraw/zinc/69/64/15/772696415.db2.gz JFANVBBCCNQYEY-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334208 772987774 /nfs/dbraw/zinc/98/77/74/772987774.db2.gz GEGBDYVGQCTEQS-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290468 773178421 /nfs/dbraw/zinc/17/84/21/773178421.db2.gz YZUKXTSCUDVNTM-HZPDHXFCSA-N 2 1 316.405 0.093 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001207337736 773194784 /nfs/dbraw/zinc/19/47/84/773194784.db2.gz WGKMMKRGXYNIKP-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001207337736 773194781 /nfs/dbraw/zinc/19/47/81/773194781.db2.gz WGKMMKRGXYNIKP-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001207337736 773194786 /nfs/dbraw/zinc/19/47/86/773194786.db2.gz WGKMMKRGXYNIKP-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001207337736 773194788 /nfs/dbraw/zinc/19/47/88/773194788.db2.gz WGKMMKRGXYNIKP-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208337501 773436531 /nfs/dbraw/zinc/43/65/31/773436531.db2.gz LAGYIKGYAVPSFT-CQSZACIVSA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242821 773573815 /nfs/dbraw/zinc/57/38/15/773573815.db2.gz OPKINVBSGUJVPX-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242821 773573819 /nfs/dbraw/zinc/57/38/19/773573819.db2.gz OPKINVBSGUJVPX-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209643738 773629211 /nfs/dbraw/zinc/62/92/11/773629211.db2.gz WGOSYYZWHXHDJU-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210145152 773678089 /nfs/dbraw/zinc/67/80/89/773678089.db2.gz FNGMKKIXJQHRPH-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426183 773707869 /nfs/dbraw/zinc/70/78/69/773707869.db2.gz BKSURAMVVXLSCW-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426183 773707873 /nfs/dbraw/zinc/70/78/73/773707873.db2.gz BKSURAMVVXLSCW-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199056955 774021868 /nfs/dbraw/zinc/02/18/68/774021868.db2.gz BIZWMOKREIHTBM-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001199095795 774029109 /nfs/dbraw/zinc/02/91/09/774029109.db2.gz KWPDYHGIUMSUSN-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001199095795 774029116 /nfs/dbraw/zinc/02/91/16/774029116.db2.gz KWPDYHGIUMSUSN-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001199095795 774029121 /nfs/dbraw/zinc/02/91/21/774029121.db2.gz KWPDYHGIUMSUSN-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127386 774032766 /nfs/dbraw/zinc/03/27/66/774032766.db2.gz AYFIXQFINHUDLY-OAGGEKHMSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127386 774032774 /nfs/dbraw/zinc/03/27/74/774032774.db2.gz AYFIXQFINHUDLY-OAGGEKHMSA-N 2 1 307.438 0.291 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216499896 774119892 /nfs/dbraw/zinc/11/98/92/774119892.db2.gz VTJOLKJZTCSOGH-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N(O)C(=N)c1ccccc1N ZINC001218964900 774337154 /nfs/dbraw/zinc/33/71/54/774337154.db2.gz FQWPJQHBLGVUKU-ZDUSSCGKSA-N 2 1 307.398 0.871 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCC=C)C1 ZINC001200720822 774398071 /nfs/dbraw/zinc/39/80/71/774398071.db2.gz DHVOMXIENFCFMX-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCC=C)C1 ZINC001200720822 774398078 /nfs/dbraw/zinc/39/80/78/774398078.db2.gz DHVOMXIENFCFMX-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001201267366 774480657 /nfs/dbraw/zinc/48/06/57/774480657.db2.gz MSQAOVWBDDBTLH-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201638581 774530805 /nfs/dbraw/zinc/53/08/05/774530805.db2.gz APLQFYOPKUUQIB-OAHLLOKOSA-N 2 1 311.426 0.102 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202116130 774603438 /nfs/dbraw/zinc/60/34/38/774603438.db2.gz SNYWZEBEGOTFII-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202116130 774603443 /nfs/dbraw/zinc/60/34/43/774603443.db2.gz SNYWZEBEGOTFII-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001220271724 774751995 /nfs/dbraw/zinc/75/19/95/774751995.db2.gz GCGDMWAQWBLKPW-CVEARBPZSA-N 2 1 316.405 0.171 20 30 DCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001220271724 774751997 /nfs/dbraw/zinc/75/19/97/774751997.db2.gz GCGDMWAQWBLKPW-CVEARBPZSA-N 2 1 316.405 0.171 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220547779 774843277 /nfs/dbraw/zinc/84/32/77/774843277.db2.gz GZSQKGSEZOAICI-CABCVRRESA-N 2 1 304.394 0.156 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220547779 774843286 /nfs/dbraw/zinc/84/32/86/774843286.db2.gz GZSQKGSEZOAICI-CABCVRRESA-N 2 1 304.394 0.156 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114425466 774856551 /nfs/dbraw/zinc/85/65/51/774856551.db2.gz DFIHEULOTUCOPG-CBZIJGRNSA-N 2 1 319.449 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114425466 774856559 /nfs/dbraw/zinc/85/65/59/774856559.db2.gz DFIHEULOTUCOPG-CBZIJGRNSA-N 2 1 319.449 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114425466 774856569 /nfs/dbraw/zinc/85/65/69/774856569.db2.gz DFIHEULOTUCOPG-CBZIJGRNSA-N 2 1 319.449 0.557 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001114487774 774897227 /nfs/dbraw/zinc/89/72/27/774897227.db2.gz BBTOPTOUUYPZIB-FICVDOATSA-N 2 1 307.438 0.413 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001114487774 774897238 /nfs/dbraw/zinc/89/72/38/774897238.db2.gz BBTOPTOUUYPZIB-FICVDOATSA-N 2 1 307.438 0.413 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001114487774 774897242 /nfs/dbraw/zinc/89/72/42/774897242.db2.gz BBTOPTOUUYPZIB-FICVDOATSA-N 2 1 307.438 0.413 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220772807 774912420 /nfs/dbraw/zinc/91/24/20/774912420.db2.gz YNRYOOLWRTUPLB-ZBFHGGJFSA-N 2 1 318.421 0.889 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220772807 774912424 /nfs/dbraw/zinc/91/24/24/774912424.db2.gz YNRYOOLWRTUPLB-ZBFHGGJFSA-N 2 1 318.421 0.889 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959454 775361873 /nfs/dbraw/zinc/36/18/73/775361873.db2.gz MHEYMMIWPUSGNQ-KFWWJZLASA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959454 775361882 /nfs/dbraw/zinc/36/18/82/775361882.db2.gz MHEYMMIWPUSGNQ-KFWWJZLASA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001224546913 775581027 /nfs/dbraw/zinc/58/10/27/775581027.db2.gz SUIAULZSCSVDKX-DOTOQJQBSA-N 2 1 321.465 0.662 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215525 776265494 /nfs/dbraw/zinc/26/54/94/776265494.db2.gz QYMQFLLHCQSWGI-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215525 776265502 /nfs/dbraw/zinc/26/55/02/776265502.db2.gz QYMQFLLHCQSWGI-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001041167702 777104460 /nfs/dbraw/zinc/10/44/60/777104460.db2.gz PUPQRBKKOFTLTL-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167702 777104467 /nfs/dbraw/zinc/10/44/67/777104467.db2.gz PUPQRBKKOFTLTL-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167702 777104474 /nfs/dbraw/zinc/10/44/74/777104474.db2.gz PUPQRBKKOFTLTL-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167702 777104486 /nfs/dbraw/zinc/10/44/86/777104486.db2.gz PUPQRBKKOFTLTL-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCF)C2)C1 ZINC001041369357 777233273 /nfs/dbraw/zinc/23/32/73/777233273.db2.gz YUYPKJKHJBPHHE-RDJZCZTQSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCF)C2)C1 ZINC001041369357 777233280 /nfs/dbraw/zinc/23/32/80/777233280.db2.gz YUYPKJKHJBPHHE-RDJZCZTQSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCF)C2)C1 ZINC001041369357 777233289 /nfs/dbraw/zinc/23/32/89/777233289.db2.gz YUYPKJKHJBPHHE-RDJZCZTQSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCF)C2)C1 ZINC001041369357 777233299 /nfs/dbraw/zinc/23/32/99/777233299.db2.gz YUYPKJKHJBPHHE-RDJZCZTQSA-N 2 1 307.413 0.978 20 30 DCEDMP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317578198 945072492 /nfs/dbraw/zinc/07/24/92/945072492.db2.gz HIRHBYINJQRQNL-KRWDZBQOSA-N 2 1 315.417 0.417 20 30 DCEDMP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317578198 945072504 /nfs/dbraw/zinc/07/25/04/945072504.db2.gz HIRHBYINJQRQNL-KRWDZBQOSA-N 2 1 315.417 0.417 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001278130986 945149271 /nfs/dbraw/zinc/14/92/71/945149271.db2.gz YNYCEVMANAWSON-DLBZAZTESA-N 2 1 315.417 0.199 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001278349283 945235757 /nfs/dbraw/zinc/23/57/57/945235757.db2.gz DZBAQDREJLOOFR-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC1CCOCC1 ZINC001267243249 939400860 /nfs/dbraw/zinc/40/08/60/939400860.db2.gz PZUOYEJBZCTZSL-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC1CCOCC1 ZINC001267243249 939400861 /nfs/dbraw/zinc/40/08/61/939400861.db2.gz PZUOYEJBZCTZSL-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC1CCOCC1 ZINC001267243249 939400865 /nfs/dbraw/zinc/40/08/65/939400865.db2.gz PZUOYEJBZCTZSL-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC1CCOCC1 ZINC001267243249 939400867 /nfs/dbraw/zinc/40/08/67/939400867.db2.gz PZUOYEJBZCTZSL-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+](CC)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001267252450 939403460 /nfs/dbraw/zinc/40/34/60/939403460.db2.gz OYJORPVETZZFQW-UHFFFAOYSA-N 2 1 305.426 0.520 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)[C@H](CC)C(N)=O)CC1 ZINC001267256950 939405418 /nfs/dbraw/zinc/40/54/18/939405418.db2.gz JHFSSTQXAMTVQG-OAHLLOKOSA-N 2 1 322.453 0.034 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267295446 939417720 /nfs/dbraw/zinc/41/77/20/939417720.db2.gz WOLGHBGBLAZHCX-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267560610 939500870 /nfs/dbraw/zinc/50/08/70/939500870.db2.gz BCZWGTMBADFMHW-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267560610 939500872 /nfs/dbraw/zinc/50/08/72/939500872.db2.gz BCZWGTMBADFMHW-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267560610 939500875 /nfs/dbraw/zinc/50/08/75/939500875.db2.gz BCZWGTMBADFMHW-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267576527 939521782 /nfs/dbraw/zinc/52/17/82/939521782.db2.gz ZKKPRIDELROUEL-MRXNPFEDSA-N 2 1 308.470 0.590 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055352 939543150 /nfs/dbraw/zinc/54/31/50/939543150.db2.gz DJTNMXCLWURHLJ-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267629647 939601349 /nfs/dbraw/zinc/60/13/49/939601349.db2.gz CZFPYOKFSUBGMZ-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267629647 939601351 /nfs/dbraw/zinc/60/13/51/939601351.db2.gz CZFPYOKFSUBGMZ-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001481319779 939746258 /nfs/dbraw/zinc/74/62/58/939746258.db2.gz NKTRXCRUARSBBQ-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001268042426 939878843 /nfs/dbraw/zinc/87/88/43/939878843.db2.gz QLVQPYFMIVEOAM-UHFFFAOYSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481506793 939906337 /nfs/dbraw/zinc/90/63/37/939906337.db2.gz KWAPCLYTSHTVDW-JKSUJKDBSA-N 2 1 307.438 0.368 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCC(F)(F)F ZINC001268307243 940045836 /nfs/dbraw/zinc/04/58/36/940045836.db2.gz FTYMAMKPQIOIGC-NEPJUHHUSA-N 2 1 321.343 0.103 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCC(F)(F)F ZINC001268307243 940045839 /nfs/dbraw/zinc/04/58/39/940045839.db2.gz FTYMAMKPQIOIGC-NEPJUHHUSA-N 2 1 321.343 0.103 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268471151 940164579 /nfs/dbraw/zinc/16/45/79/940164579.db2.gz BWQVURYUWKXPRC-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001481971325 940198040 /nfs/dbraw/zinc/19/80/40/940198040.db2.gz FVHMUYKTXNQWMQ-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001481971325 940198042 /nfs/dbraw/zinc/19/80/42/940198042.db2.gz FVHMUYKTXNQWMQ-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482062969 940241489 /nfs/dbraw/zinc/24/14/89/940241489.db2.gz NPMJAJMKXKOZEA-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccnc1 ZINC001268648502 940317363 /nfs/dbraw/zinc/31/73/63/940317363.db2.gz KUVBBCQMEDTGAA-ZBFHGGJFSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccnc1 ZINC001268648502 940317367 /nfs/dbraw/zinc/31/73/67/940317367.db2.gz KUVBBCQMEDTGAA-ZBFHGGJFSA-N 2 1 300.406 0.774 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001268896601 940400725 /nfs/dbraw/zinc/40/07/25/940400725.db2.gz VBADTFHKFXIMAV-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CCO)CC1 ZINC001270358506 940886710 /nfs/dbraw/zinc/88/67/10/940886710.db2.gz JRIAJVBXQSGWGZ-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC)CC[N@H+]1C ZINC001482289572 940902461 /nfs/dbraw/zinc/90/24/61/940902461.db2.gz UUEYNDXPCQVSGE-OWCLPIDISA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001270655631 940955926 /nfs/dbraw/zinc/95/59/26/940955926.db2.gz FBZSGUIIKXEWNA-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001270655631 940955931 /nfs/dbraw/zinc/95/59/31/940955931.db2.gz FBZSGUIIKXEWNA-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CC#CCOC)C2)CC1 ZINC001270863917 941025152 /nfs/dbraw/zinc/02/51/52/941025152.db2.gz MTDNRPCKOWKCSV-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC2(C[NH+](CC#CCOC)C2)CC1 ZINC001270863917 941025155 /nfs/dbraw/zinc/02/51/55/941025155.db2.gz MTDNRPCKOWKCSV-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001271987671 941501506 /nfs/dbraw/zinc/50/15/06/941501506.db2.gz KENVFAQKNOJGLW-QGZVFWFLSA-N 2 1 307.438 0.601 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCCC1 ZINC001482739497 941651448 /nfs/dbraw/zinc/65/14/48/941651448.db2.gz USPKXUDXYUDNNU-HOTGVXAUSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCCC1 ZINC001482739497 941651449 /nfs/dbraw/zinc/65/14/49/941651449.db2.gz USPKXUDXYUDNNU-HOTGVXAUSA-N 2 1 307.438 0.341 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001482991483 941761753 /nfs/dbraw/zinc/76/17/53/941761753.db2.gz RTWVPTUSXFLXRC-LAWSMPECSA-N 2 1 308.426 0.033 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001272617572 942869900 /nfs/dbraw/zinc/86/99/00/942869900.db2.gz XIGOGTPUZBSNBU-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001483915691 943020583 /nfs/dbraw/zinc/02/05/83/943020583.db2.gz HRULERDIVXWCJZ-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484240251 943244286 /nfs/dbraw/zinc/24/42/86/943244286.db2.gz AHFKFQPYYCLMRN-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001484240251 943244296 /nfs/dbraw/zinc/24/42/96/943244296.db2.gz AHFKFQPYYCLMRN-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001484240251 943244300 /nfs/dbraw/zinc/24/43/00/943244300.db2.gz AHFKFQPYYCLMRN-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484240252 943244445 /nfs/dbraw/zinc/24/44/45/943244445.db2.gz AHFKFQPYYCLMRN-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001484240252 943244451 /nfs/dbraw/zinc/24/44/51/943244451.db2.gz AHFKFQPYYCLMRN-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001484240252 943244456 /nfs/dbraw/zinc/24/44/56/943244456.db2.gz AHFKFQPYYCLMRN-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCN1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887467 944302027 /nfs/dbraw/zinc/30/20/27/944302027.db2.gz FHBINLDWKCQWOQ-QGZVFWFLSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCCCC1 ZINC001486004748 944488925 /nfs/dbraw/zinc/48/89/25/944488925.db2.gz NDNMKVBXEOGKHW-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCCCC1 ZINC001486004748 944488930 /nfs/dbraw/zinc/48/89/30/944488930.db2.gz NDNMKVBXEOGKHW-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2cnc[nH]2)C1 ZINC001486115000 944573691 /nfs/dbraw/zinc/57/36/91/944573691.db2.gz PUCRKWHVUXBZIE-TZMCWYRMSA-N 2 1 319.409 0.224 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317038263 944751708 /nfs/dbraw/zinc/75/17/08/944751708.db2.gz BYYOKVBMLLOQAA-KRWDZBQOSA-N 2 1 321.465 0.902 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317038263 944751716 /nfs/dbraw/zinc/75/17/16/944751716.db2.gz BYYOKVBMLLOQAA-KRWDZBQOSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001277398927 944806671 /nfs/dbraw/zinc/80/66/71/944806671.db2.gz VUYGVYZHRZKAML-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001277398927 944806675 /nfs/dbraw/zinc/80/66/75/944806675.db2.gz VUYGVYZHRZKAML-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001277398927 944806682 /nfs/dbraw/zinc/80/66/82/944806682.db2.gz VUYGVYZHRZKAML-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001317512943 945008355 /nfs/dbraw/zinc/00/83/55/945008355.db2.gz FMVKIAOPHZCHTB-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001317512943 945008365 /nfs/dbraw/zinc/00/83/65/945008365.db2.gz FMVKIAOPHZCHTB-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001317512943 945008376 /nfs/dbraw/zinc/00/83/76/945008376.db2.gz FMVKIAOPHZCHTB-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001317512943 945008386 /nfs/dbraw/zinc/00/83/86/945008386.db2.gz FMVKIAOPHZCHTB-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C[NH+](C)CCN1CC[N@@H+](CCCC#N)C[C@]2(CCCC(=O)N2)C1 ZINC001277944988 945055876 /nfs/dbraw/zinc/05/58/76/945055876.db2.gz ILMRNYJULRXGPV-QGZVFWFLSA-N 2 1 321.469 0.508 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001318789892 945444434 /nfs/dbraw/zinc/44/44/34/945444434.db2.gz PCBPFRUIBRDFAD-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001318789892 945444443 /nfs/dbraw/zinc/44/44/43/945444443.db2.gz PCBPFRUIBRDFAD-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001278582610 945665759 /nfs/dbraw/zinc/66/57/59/945665759.db2.gz NDVNRMDNYQSQJE-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001278582610 945665768 /nfs/dbraw/zinc/66/57/68/945665768.db2.gz NDVNRMDNYQSQJE-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001321627897 946403893 /nfs/dbraw/zinc/40/38/93/946403893.db2.gz NPKNXPSTMISHDY-BARDWOONSA-N 2 1 324.469 0.502 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278801567 946419697 /nfs/dbraw/zinc/41/96/97/946419697.db2.gz YGCVBOSLXUAJTG-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001278864812 946497097 /nfs/dbraw/zinc/49/70/97/946497097.db2.gz KIAHBWNWMNJCNA-OAHLLOKOSA-N 2 1 314.389 0.641 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001278946084 946641531 /nfs/dbraw/zinc/64/15/31/946641531.db2.gz UISOIYDPVMJWOG-LSDHHAIUSA-N 2 1 309.454 0.851 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001410764812 946907247 /nfs/dbraw/zinc/90/72/47/946907247.db2.gz SPPKGSOXTINHHX-CYBMUJFWSA-N 2 1 303.834 0.538 20 30 DCEDMP C=CCS(=O)(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001259928400 947026019 /nfs/dbraw/zinc/02/60/19/947026019.db2.gz BVPPSYUVPNQFPF-UHFFFAOYSA-N 2 1 301.456 0.462 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001324662429 947497262 /nfs/dbraw/zinc/49/72/62/947497262.db2.gz UFKGSTQXUXRCQK-XJKSGUPXSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001324662429 947497271 /nfs/dbraw/zinc/49/72/71/947497271.db2.gz UFKGSTQXUXRCQK-XJKSGUPXSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001325102616 947654830 /nfs/dbraw/zinc/65/48/30/947654830.db2.gz RQSTVYHVJWOOGS-HOCLYGCPSA-N 2 1 313.417 0.243 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001273465706 947905744 /nfs/dbraw/zinc/90/57/44/947905744.db2.gz LTVHZAWIEFBKJV-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001273465706 947905755 /nfs/dbraw/zinc/90/57/55/947905755.db2.gz LTVHZAWIEFBKJV-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001273465706 947905765 /nfs/dbraw/zinc/90/57/65/947905765.db2.gz LTVHZAWIEFBKJV-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273542561 947949643 /nfs/dbraw/zinc/94/96/43/947949643.db2.gz XQZYHDAHAUNBLH-QGZVFWFLSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCO1 ZINC001327078131 948388081 /nfs/dbraw/zinc/38/80/81/948388081.db2.gz CEJMQXMWQOXBAW-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[N@@H+](C)CC)O2 ZINC001327366042 948481590 /nfs/dbraw/zinc/48/15/90/948481590.db2.gz WGEPFVQKPBJFSS-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[N@H+](C)CC)O2 ZINC001327366042 948481592 /nfs/dbraw/zinc/48/15/92/948481592.db2.gz WGEPFVQKPBJFSS-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001273909819 948674831 /nfs/dbraw/zinc/67/48/31/948674831.db2.gz BIDLJWHDGSVUMG-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP N#CC[C@]1(O)CC[NH+](C/C=C/C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC001328399258 948875464 /nfs/dbraw/zinc/87/54/64/948875464.db2.gz YYNARZKVAJLQFS-POHSLCEDSA-N 2 1 304.394 0.244 20 30 DCEDMP N#CC[C@]1(O)CC[NH+](C/C=C/C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC001328399258 948875479 /nfs/dbraw/zinc/87/54/79/948875479.db2.gz YYNARZKVAJLQFS-POHSLCEDSA-N 2 1 304.394 0.244 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264096757 948881936 /nfs/dbraw/zinc/88/19/36/948881936.db2.gz RCABUDCFJAJYAM-CABCVRRESA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCOCC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265258031 949504755 /nfs/dbraw/zinc/50/47/55/949504755.db2.gz WIOALRSXXCQZLD-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC[C@H](C)O)CC1 ZINC001329621989 949723965 /nfs/dbraw/zinc/72/39/65/949723965.db2.gz ATGKSCHCRCOTAG-HOTGVXAUSA-N 2 1 323.481 0.929 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265594665 949800108 /nfs/dbraw/zinc/80/01/08/949800108.db2.gz HMWUUMMOUHIKNY-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265594665 949800131 /nfs/dbraw/zinc/80/01/31/949800131.db2.gz HMWUUMMOUHIKNY-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265594665 949800155 /nfs/dbraw/zinc/80/01/55/949800155.db2.gz HMWUUMMOUHIKNY-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CCN1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001330072233 950104472 /nfs/dbraw/zinc/10/44/72/950104472.db2.gz RZWRNBMHUQUUPF-LSDHHAIUSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001330072233 950104486 /nfs/dbraw/zinc/10/44/86/950104486.db2.gz RZWRNBMHUQUUPF-LSDHHAIUSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001330072233 950104504 /nfs/dbraw/zinc/10/45/04/950104504.db2.gz RZWRNBMHUQUUPF-LSDHHAIUSA-N 2 1 307.438 0.415 20 30 DCEDMP N#CCNC1CCN(CCNC(=O)CCCn2ccnc2)CC1 ZINC001279453798 950580154 /nfs/dbraw/zinc/58/01/54/950580154.db2.gz PLXUTWHQUMXNND-UHFFFAOYSA-N 2 1 318.425 0.357 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001279578552 950633269 /nfs/dbraw/zinc/63/32/69/950633269.db2.gz YYSXAPRVUITJTE-YESZJQIVSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001279578552 950633279 /nfs/dbraw/zinc/63/32/79/950633279.db2.gz YYSXAPRVUITJTE-YESZJQIVSA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001279578552 950633289 /nfs/dbraw/zinc/63/32/89/950633289.db2.gz YYSXAPRVUITJTE-YESZJQIVSA-N 2 1 319.449 0.796 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551356 950853627 /nfs/dbraw/zinc/85/36/27/950853627.db2.gz SGKQBRVPGOJNHB-KBPBESRZSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCOC2)CCC1 ZINC001280485359 950897430 /nfs/dbraw/zinc/89/74/30/950897430.db2.gz JXZFHZHBNWDGCD-CVEARBPZSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCOC2)CCC1 ZINC001280485359 950897443 /nfs/dbraw/zinc/89/74/43/950897443.db2.gz JXZFHZHBNWDGCD-CVEARBPZSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCO)CC1 ZINC001495416347 951064693 /nfs/dbraw/zinc/06/46/93/951064693.db2.gz SAAWXZDONBNYBL-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCO)CC1 ZINC001495416347 951064706 /nfs/dbraw/zinc/06/47/06/951064706.db2.gz SAAWXZDONBNYBL-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CCCCC#N)C2)OCC1=O ZINC001274043672 951356572 /nfs/dbraw/zinc/35/65/72/951356572.db2.gz SDLPJLPDCTZQBS-INIZCTEOSA-N 2 1 308.426 0.545 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001281184852 951358498 /nfs/dbraw/zinc/35/84/98/951358498.db2.gz OPIASTXXGYBEPY-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001281634718 951567597 /nfs/dbraw/zinc/56/75/97/951567597.db2.gz OHIJEGOJCDYVJX-HNNXBMFYSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001332665467 951753780 /nfs/dbraw/zinc/75/37/80/951753780.db2.gz SPSVTHSDDOLMOV-HZPDHXFCSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001332665467 951753790 /nfs/dbraw/zinc/75/37/90/951753790.db2.gz SPSVTHSDDOLMOV-HZPDHXFCSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001332665467 951753799 /nfs/dbraw/zinc/75/37/99/951753799.db2.gz SPSVTHSDDOLMOV-HZPDHXFCSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001332677763 951757705 /nfs/dbraw/zinc/75/77/05/951757705.db2.gz UJOSBBHYBUTBRA-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001274657072 951771623 /nfs/dbraw/zinc/77/16/23/951771623.db2.gz XQNIRAJLWCVMLO-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001275849941 952494396 /nfs/dbraw/zinc/49/43/96/952494396.db2.gz JZUCWMOTHQOPII-ZIAGYGMSSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001275849941 952494399 /nfs/dbraw/zinc/49/43/99/952494399.db2.gz JZUCWMOTHQOPII-ZIAGYGMSSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001281799265 953369076 /nfs/dbraw/zinc/36/90/76/953369076.db2.gz CQASFKAQIOZXJG-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001281831454 953382257 /nfs/dbraw/zinc/38/22/57/953382257.db2.gz XUBKQTDGHOFIHL-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001281831454 953382268 /nfs/dbraw/zinc/38/22/68/953382268.db2.gz XUBKQTDGHOFIHL-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001281831454 953382283 /nfs/dbraw/zinc/38/22/83/953382283.db2.gz XUBKQTDGHOFIHL-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001281831454 953382295 /nfs/dbraw/zinc/38/22/95/953382295.db2.gz XUBKQTDGHOFIHL-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001281964028 953434880 /nfs/dbraw/zinc/43/48/80/953434880.db2.gz BKUWRHCDNTXUSW-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001282013058 953444879 /nfs/dbraw/zinc/44/48/79/953444879.db2.gz ACTBJFBKMMSUNE-YMAMQOFZSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001282193428 953519509 /nfs/dbraw/zinc/51/95/09/953519509.db2.gz QQPXTMTYAYTRTD-KBPBESRZSA-N 2 1 324.469 0.197 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001283763263 954589702 /nfs/dbraw/zinc/58/97/02/954589702.db2.gz HDRBTUSJUXFWTD-HOCLYGCPSA-N 2 1 307.438 0.483 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001284248318 954959748 /nfs/dbraw/zinc/95/97/48/954959748.db2.gz TWHBMTHCPWCUAT-JKSUJKDBSA-N 2 1 318.421 0.716 20 30 DCEDMP C=CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001284516794 955150441 /nfs/dbraw/zinc/15/04/41/955150441.db2.gz OPNYTPPLHIOFDD-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[N@H+](C)CCN(C(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001284553719 955173055 /nfs/dbraw/zinc/17/30/55/955173055.db2.gz SPQGDNXWHLHLKP-UHFFFAOYSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001316691379 960044273 /nfs/dbraw/zinc/04/42/73/960044273.db2.gz DFLBNCUWMBEJJM-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379524632 963125449 /nfs/dbraw/zinc/12/54/49/963125449.db2.gz HWIOLPOMRUBQCK-MRXNPFEDSA-N 2 1 318.421 0.465 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379524632 963125458 /nfs/dbraw/zinc/12/54/58/963125458.db2.gz HWIOLPOMRUBQCK-MRXNPFEDSA-N 2 1 318.421 0.465 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001369468995 965032187 /nfs/dbraw/zinc/03/21/87/965032187.db2.gz PXCIQOKYGUMEMU-LBPRGKRZSA-N 2 1 300.790 0.353 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001507072615 1015954805 /nfs/dbraw/zinc/95/48/05/1015954805.db2.gz VZKJOAZUMYBAGL-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001507163232 1016046125 /nfs/dbraw/zinc/04/61/25/1016046125.db2.gz TWLMONQCFVPHJB-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001467727839 1016193898 /nfs/dbraw/zinc/19/38/98/1016193898.db2.gz SHDQVKHGISGMGV-OAHLLOKOSA-N 2 1 324.469 0.363 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001403897561 1002701936 /nfs/dbraw/zinc/70/19/36/1002701936.db2.gz DXSSVOKJISGOEU-KGLIPLIRSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001403897561 1002701947 /nfs/dbraw/zinc/70/19/47/1002701947.db2.gz DXSSVOKJISGOEU-KGLIPLIRSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403897561 1002701961 /nfs/dbraw/zinc/70/19/61/1002701961.db2.gz DXSSVOKJISGOEU-KGLIPLIRSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403897561 1002701972 /nfs/dbraw/zinc/70/19/72/1002701972.db2.gz DXSSVOKJISGOEU-KGLIPLIRSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001425798783 1003122849 /nfs/dbraw/zinc/12/28/49/1003122849.db2.gz GZUNHHMPFPPWMF-GFCCVEGCSA-N 2 1 305.850 0.784 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001425798783 1003122856 /nfs/dbraw/zinc/12/28/56/1003122856.db2.gz GZUNHHMPFPPWMF-GFCCVEGCSA-N 2 1 305.850 0.784 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001441968379 1008728183 /nfs/dbraw/zinc/72/81/83/1008728183.db2.gz DNVUWNADNPMKHC-MELADBBJSA-N 2 1 317.861 0.878 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001422342638 1009914604 /nfs/dbraw/zinc/91/46/04/1009914604.db2.gz OJZIINDBQUVQID-KGLIPLIRSA-N 2 1 317.861 0.928 20 30 DCEDMP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001424422909 1012486793 /nfs/dbraw/zinc/48/67/93/1012486793.db2.gz UFPFRPIZKJNOOJ-ZFWWWQNUSA-N 2 1 315.845 0.634 20 30 DCEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001479963376 1018061088 /nfs/dbraw/zinc/06/10/88/1018061088.db2.gz BQMWXCZAADMVBO-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001479963376 1018061101 /nfs/dbraw/zinc/06/11/01/1018061101.db2.gz BQMWXCZAADMVBO-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001494919994 1018154526 /nfs/dbraw/zinc/15/45/26/1018154526.db2.gz TVPQEVVAUHPYCA-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001494919994 1018154533 /nfs/dbraw/zinc/15/45/33/1018154533.db2.gz TVPQEVVAUHPYCA-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001494919994 1018154536 /nfs/dbraw/zinc/15/45/36/1018154536.db2.gz TVPQEVVAUHPYCA-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001500169315 1018268489 /nfs/dbraw/zinc/26/84/89/1018268489.db2.gz ITXKZNAFFUMLHL-MRXNPFEDSA-N 2 1 308.470 0.731 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001500169315 1018268502 /nfs/dbraw/zinc/26/85/02/1018268502.db2.gz ITXKZNAFFUMLHL-MRXNPFEDSA-N 2 1 308.470 0.731 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001500169315 1018268515 /nfs/dbraw/zinc/26/85/15/1018268515.db2.gz ITXKZNAFFUMLHL-MRXNPFEDSA-N 2 1 308.470 0.731 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500257328 1018353642 /nfs/dbraw/zinc/35/36/42/1018353642.db2.gz JOTCKVVFKUHBSI-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500257328 1018353654 /nfs/dbraw/zinc/35/36/54/1018353654.db2.gz JOTCKVVFKUHBSI-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500257328 1018353660 /nfs/dbraw/zinc/35/36/60/1018353660.db2.gz JOTCKVVFKUHBSI-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500257328 1018353669 /nfs/dbraw/zinc/35/36/69/1018353669.db2.gz JOTCKVVFKUHBSI-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001500282918 1018381398 /nfs/dbraw/zinc/38/13/98/1018381398.db2.gz XURLSCLZSHWGIG-WMLDXEAASA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001500282918 1018381417 /nfs/dbraw/zinc/38/14/17/1018381417.db2.gz XURLSCLZSHWGIG-WMLDXEAASA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001500282918 1018381430 /nfs/dbraw/zinc/38/14/30/1018381430.db2.gz XURLSCLZSHWGIG-WMLDXEAASA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001500282918 1018381445 /nfs/dbraw/zinc/38/14/45/1018381445.db2.gz XURLSCLZSHWGIG-WMLDXEAASA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001495398836 1018488701 /nfs/dbraw/zinc/48/87/01/1018488701.db2.gz ZTIUZKGQELKBER-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC001500582344 1018500977 /nfs/dbraw/zinc/50/09/77/1018500977.db2.gz ZYCKXHTYPRBOBE-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001495667352 1018636819 /nfs/dbraw/zinc/63/68/19/1018636819.db2.gz QJWMVXOGURQZFT-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC001502095050 1019707515 /nfs/dbraw/zinc/70/75/15/1019707515.db2.gz SNACXXYSJUHZNA-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001502095050 1019707530 /nfs/dbraw/zinc/70/75/30/1019707530.db2.gz SNACXXYSJUHZNA-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000367494801 282224024 /nfs/dbraw/zinc/22/40/24/282224024.db2.gz HPQKQTLXIONAFA-OWCLPIDISA-N 2 1 322.453 0.932 20 30 DCEDMP CNC(NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)=[NH+]C ZINC000264072198 529836550 /nfs/dbraw/zinc/83/65/50/529836550.db2.gz GLXSLHVAEIMLHP-UHFFFAOYSA-N 2 1 303.410 0.369 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cccc(F)c1 ZINC000264056700 238187647 /nfs/dbraw/zinc/18/76/47/238187647.db2.gz BDWRPJCVNJFWNH-UHFFFAOYSA-N 2 1 308.401 0.995 20 30 DCEDMP COCCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264062281 533340100 /nfs/dbraw/zinc/34/01/00/533340100.db2.gz DBYVINIHLQMFTJ-UHFFFAOYSA-N 2 1 319.453 0.485 20 30 DCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCc2ccccc2C1 ZINC000088633788 395707950 /nfs/dbraw/zinc/70/79/50/395707950.db2.gz DKXKYVDWIFZEKF-QGZVFWFLSA-N 2 1 315.465 0.866 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441058 397551151 /nfs/dbraw/zinc/55/11/51/397551151.db2.gz LWCXIOUIEAPXJW-CABCVRRESA-N 2 1 310.442 0.871 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(c2ncccn2)CC1 ZINC000114067120 415720888 /nfs/dbraw/zinc/72/08/88/415720888.db2.gz LXUFEJSLGUURPY-AWEZNQCLSA-N 2 1 317.441 0.268 20 30 DCEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1nccn1C ZINC000329114327 416151115 /nfs/dbraw/zinc/15/11/15/416151115.db2.gz LZDNMUZMBIZQKB-UHFFFAOYSA-N 2 1 322.457 0.792 20 30 DCEDMP COCCNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190528336 416279930 /nfs/dbraw/zinc/27/99/30/416279930.db2.gz IKXNBLMMLACLOY-INIZCTEOSA-N 2 1 320.437 0.828 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419295901 416399194 /nfs/dbraw/zinc/39/91/94/416399194.db2.gz REBILKYAWKKUCO-LBPRGKRZSA-N 2 1 308.426 0.993 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000491453108 416599452 /nfs/dbraw/zinc/59/94/52/416599452.db2.gz PHEQCQHHSRUDLF-UHFFFAOYSA-N 2 1 311.430 0.580 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000491711957 416619239 /nfs/dbraw/zinc/61/92/39/416619239.db2.gz XWQBXDCYLNKCDV-UHFFFAOYSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000491711957 416619242 /nfs/dbraw/zinc/61/92/42/416619242.db2.gz XWQBXDCYLNKCDV-UHFFFAOYSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000491711957 416619244 /nfs/dbraw/zinc/61/92/44/416619244.db2.gz XWQBXDCYLNKCDV-UHFFFAOYSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000491711957 416619247 /nfs/dbraw/zinc/61/92/47/416619247.db2.gz XWQBXDCYLNKCDV-UHFFFAOYSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000491741463 416621233 /nfs/dbraw/zinc/62/12/33/416621233.db2.gz IMNINTKMVJVBJA-LSDHHAIUSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000491741463 416621236 /nfs/dbraw/zinc/62/12/36/416621236.db2.gz IMNINTKMVJVBJA-LSDHHAIUSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000491741463 416621238 /nfs/dbraw/zinc/62/12/38/416621238.db2.gz IMNINTKMVJVBJA-LSDHHAIUSA-N 2 1 310.442 0.038 20 30 DCEDMP N#CC1(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCC1 ZINC000527378145 417238737 /nfs/dbraw/zinc/23/87/37/417238737.db2.gz UJMDYPXWHZJIJD-UHFFFAOYSA-N 2 1 320.437 0.593 20 30 DCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000329819535 336085715 /nfs/dbraw/zinc/08/57/15/336085715.db2.gz XVDXJXFLYFIHKG-SNPRPXQTSA-N 2 1 309.458 0.219 20 30 DCEDMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329819535 336085717 /nfs/dbraw/zinc/08/57/17/336085717.db2.gz XVDXJXFLYFIHKG-SNPRPXQTSA-N 2 1 309.458 0.219 20 30 DCEDMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329819535 336085719 /nfs/dbraw/zinc/08/57/19/336085719.db2.gz XVDXJXFLYFIHKG-SNPRPXQTSA-N 2 1 309.458 0.219 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001566793394 1160154753 /nfs/dbraw/zinc/15/47/53/1160154753.db2.gz QLVWZQQTMRBMCG-FPCVCCKLSA-N 2 1 307.438 0.746 20 30 DCEDMP C[NH+]=C(NCCCCn1cc[nH+]c1C)NCCN1CCOCC1 ZINC000267187061 526354824 /nfs/dbraw/zinc/35/48/24/526354824.db2.gz GPVPMGLZUDMJPB-UHFFFAOYSA-N 2 1 322.457 0.469 20 30 DCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262481423 526367476 /nfs/dbraw/zinc/36/74/76/526367476.db2.gz RNPGFJFHKUAGKL-CQSZACIVSA-N 2 1 315.425 0.990 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000366851485 526482543 /nfs/dbraw/zinc/48/25/43/526482543.db2.gz NKHFALHADOBSDX-DLBZAZTESA-N 2 1 320.481 0.874 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362080183 526599051 /nfs/dbraw/zinc/59/90/51/526599051.db2.gz RDAGRVYUHGXGRW-MRXNPFEDSA-N 2 1 306.454 0.533 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1[nH]nc(N)c1C#N ZINC000267469431 529071592 /nfs/dbraw/zinc/07/15/92/529071592.db2.gz XGTDXDBETGWDII-LLVKDONJSA-N 2 1 318.429 0.185 20 30 DCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000329433954 546049260 /nfs/dbraw/zinc/04/92/60/546049260.db2.gz JCDMHQOQLCTVGV-DZGCQCFKSA-N 2 1 309.458 0.220 20 30 DCEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329433954 546049265 /nfs/dbraw/zinc/04/92/65/546049265.db2.gz JCDMHQOQLCTVGV-DZGCQCFKSA-N 2 1 309.458 0.220 20 30 DCEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329433954 546049271 /nfs/dbraw/zinc/04/92/71/546049271.db2.gz JCDMHQOQLCTVGV-DZGCQCFKSA-N 2 1 309.458 0.220 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000668835855 546857399 /nfs/dbraw/zinc/85/73/99/546857399.db2.gz KZURMNMHYDQBRR-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001671437098 1175011534 /nfs/dbraw/zinc/01/15/34/1175011534.db2.gz JENPHRPDBAURDF-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634878 660577211 /nfs/dbraw/zinc/57/72/11/660577211.db2.gz IAOMPYZZMKGUFJ-LVQVYYBASA-N 2 1 305.422 0.023 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634878 660577212 /nfs/dbraw/zinc/57/72/12/660577212.db2.gz IAOMPYZZMKGUFJ-LVQVYYBASA-N 2 1 305.422 0.023 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634878 660577213 /nfs/dbraw/zinc/57/72/13/660577213.db2.gz IAOMPYZZMKGUFJ-LVQVYYBASA-N 2 1 305.422 0.023 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC#CC)C[C@H]32)CC1 ZINC000979093258 660660257 /nfs/dbraw/zinc/66/02/57/660660257.db2.gz UVDODTHAVQXODY-NNZMDNLPSA-N 2 1 313.445 0.649 20 30 DCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036764 661092390 /nfs/dbraw/zinc/09/23/90/661092390.db2.gz GNCIOVAIUCRSSM-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036764 661092392 /nfs/dbraw/zinc/09/23/92/661092392.db2.gz GNCIOVAIUCRSSM-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028094273 661154141 /nfs/dbraw/zinc/15/41/41/661154141.db2.gz WJWKACRCKRMIDD-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028094273 661154143 /nfs/dbraw/zinc/15/41/43/661154143.db2.gz WJWKACRCKRMIDD-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028094273 661154144 /nfs/dbraw/zinc/15/41/44/661154144.db2.gz WJWKACRCKRMIDD-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000982091330 661290237 /nfs/dbraw/zinc/29/02/37/661290237.db2.gz RPBAYKOAXJNNIB-UHFFFAOYSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC1(O)CN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000890524427 657574741 /nfs/dbraw/zinc/57/47/41/657574741.db2.gz AXCPPFRYLJHKQE-UHFFFAOYSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972554900 657788784 /nfs/dbraw/zinc/78/87/84/657788784.db2.gz SLZNMEDXJGOHID-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972554900 657788787 /nfs/dbraw/zinc/78/87/87/657788787.db2.gz SLZNMEDXJGOHID-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891920836 657917943 /nfs/dbraw/zinc/91/79/43/657917943.db2.gz DTEJJFULIDTMDB-RYUDHWBXSA-N 2 1 320.359 0.720 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972639872 658139855 /nfs/dbraw/zinc/13/98/55/658139855.db2.gz CDHAAJYAENDAOS-GOSISDBHSA-N 2 1 319.449 0.962 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972639872 658139858 /nfs/dbraw/zinc/13/98/58/658139858.db2.gz CDHAAJYAENDAOS-GOSISDBHSA-N 2 1 319.449 0.962 20 30 DCEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC000972700563 658289908 /nfs/dbraw/zinc/28/99/08/658289908.db2.gz ZBBRNUXELPVOAM-MRXNPFEDSA-N 2 1 304.394 0.763 20 30 DCEDMP C=CCCN1CCO[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC000972700563 658289916 /nfs/dbraw/zinc/28/99/16/658289916.db2.gz ZBBRNUXELPVOAM-MRXNPFEDSA-N 2 1 304.394 0.763 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024809085 658792121 /nfs/dbraw/zinc/79/21/21/658792121.db2.gz NCHUMPOHGMNQLI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024809085 658792123 /nfs/dbraw/zinc/79/21/23/658792123.db2.gz NCHUMPOHGMNQLI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024809085 658792125 /nfs/dbraw/zinc/79/21/25/658792125.db2.gz NCHUMPOHGMNQLI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024809085 658792128 /nfs/dbraw/zinc/79/21/28/658792128.db2.gz NCHUMPOHGMNQLI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970270841 658797418 /nfs/dbraw/zinc/79/74/18/658797418.db2.gz UJBFJBQJIAICRA-CYBMUJFWSA-N 2 1 301.818 0.652 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498913 659629012 /nfs/dbraw/zinc/62/90/12/659629012.db2.gz QIMYGYNQSWIXFF-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001027498913 659629014 /nfs/dbraw/zinc/62/90/14/659629014.db2.gz QIMYGYNQSWIXFF-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001027498913 659629016 /nfs/dbraw/zinc/62/90/16/659629016.db2.gz QIMYGYNQSWIXFF-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000896568547 662293325 /nfs/dbraw/zinc/29/33/25/662293325.db2.gz NYDYFWQRZXDCIX-GDBMZVCRSA-N 2 1 306.454 0.082 20 30 DCEDMP C=CCN1CC[C@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1=O ZINC000903506526 663458063 /nfs/dbraw/zinc/45/80/63/663458063.db2.gz AJTKOJBBUCLMBJ-BBWFWOEESA-N 2 1 318.465 0.674 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000911744015 664105125 /nfs/dbraw/zinc/10/51/25/664105125.db2.gz GAFDNTHMNPXGRG-HNNXBMFYSA-N 2 1 315.373 0.757 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358274 664122076 /nfs/dbraw/zinc/12/20/76/664122076.db2.gz IODPUFQXLRFLQK-AIANPOQGSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358274 664122078 /nfs/dbraw/zinc/12/20/78/664122078.db2.gz IODPUFQXLRFLQK-AIANPOQGSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358274 664122079 /nfs/dbraw/zinc/12/20/79/664122079.db2.gz IODPUFQXLRFLQK-AIANPOQGSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358274 664122083 /nfs/dbraw/zinc/12/20/83/664122083.db2.gz IODPUFQXLRFLQK-AIANPOQGSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCN(C(=O)NCCn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000915731552 664939108 /nfs/dbraw/zinc/93/91/08/664939108.db2.gz VVVYPLCWIMXRJK-UHFFFAOYSA-N 2 1 303.410 0.931 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000921434261 665304088 /nfs/dbraw/zinc/30/40/88/665304088.db2.gz FKQPKMATPALBKU-CJNGLKHVSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001001492094 666060832 /nfs/dbraw/zinc/06/08/32/666060832.db2.gz OTGITMLRNUMLMQ-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001001492094 666060834 /nfs/dbraw/zinc/06/08/34/666060834.db2.gz OTGITMLRNUMLMQ-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C[NH+]=C(NCC(=O)Nc1cccnc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083131267 666628196 /nfs/dbraw/zinc/62/81/96/666628196.db2.gz MDHPMTJWBIJGQT-CYBMUJFWSA-N 2 1 316.409 0.422 20 30 DCEDMP C[NH+]=C(NCC(=O)Nc1cccnc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083131267 666628198 /nfs/dbraw/zinc/62/81/98/666628198.db2.gz MDHPMTJWBIJGQT-CYBMUJFWSA-N 2 1 316.409 0.422 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001033688977 666796852 /nfs/dbraw/zinc/79/68/52/666796852.db2.gz WBMCXEKDBWPKNR-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)CC1 ZINC001034538506 667065019 /nfs/dbraw/zinc/06/50/19/667065019.db2.gz NTXYVLKLUQIODJ-QGZVFWFLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035170377 667262107 /nfs/dbraw/zinc/26/21/07/667262107.db2.gz NWFVGUMDCXEXLU-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035170377 667262109 /nfs/dbraw/zinc/26/21/09/667262109.db2.gz NWFVGUMDCXEXLU-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035170377 667262111 /nfs/dbraw/zinc/26/21/11/667262111.db2.gz NWFVGUMDCXEXLU-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035170377 667262115 /nfs/dbraw/zinc/26/21/15/667262115.db2.gz NWFVGUMDCXEXLU-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CC2 ZINC001035255186 667282453 /nfs/dbraw/zinc/28/24/53/667282453.db2.gz ONNZXARXRABJNM-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035255186 667282455 /nfs/dbraw/zinc/28/24/55/667282455.db2.gz ONNZXARXRABJNM-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)CC2 ZINC001035255186 667282456 /nfs/dbraw/zinc/28/24/56/667282456.db2.gz ONNZXARXRABJNM-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)CC2 ZINC001035255186 667282458 /nfs/dbraw/zinc/28/24/58/667282458.db2.gz ONNZXARXRABJNM-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000884161330 667487086 /nfs/dbraw/zinc/48/70/86/667487086.db2.gz COYRCSBSGHXBIG-HZPDHXFCSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000884161330 667487089 /nfs/dbraw/zinc/48/70/89/667487089.db2.gz COYRCSBSGHXBIG-HZPDHXFCSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000884161330 667487091 /nfs/dbraw/zinc/48/70/91/667487091.db2.gz COYRCSBSGHXBIG-HZPDHXFCSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000884161330 667487093 /nfs/dbraw/zinc/48/70/93/667487093.db2.gz COYRCSBSGHXBIG-HZPDHXFCSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000890370985 668123933 /nfs/dbraw/zinc/12/39/33/668123933.db2.gz JXKPHBMAISZGIL-OAGGEKHMSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000890370985 668123937 /nfs/dbraw/zinc/12/39/37/668123937.db2.gz JXKPHBMAISZGIL-OAGGEKHMSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000890370985 668123938 /nfs/dbraw/zinc/12/39/38/668123938.db2.gz JXKPHBMAISZGIL-OAGGEKHMSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000890370985 668123942 /nfs/dbraw/zinc/12/39/42/668123942.db2.gz JXKPHBMAISZGIL-OAGGEKHMSA-N 2 1 304.438 0.962 20 30 DCEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCCC#N)[C@H](C)C1 ZINC000787307018 669366545 /nfs/dbraw/zinc/36/65/45/669366545.db2.gz ZXIKQGLVRNSFII-HUUCEWRRSA-N 2 1 310.442 0.743 20 30 DCEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCCC#N)[C@H](C)C1 ZINC000787307018 669366547 /nfs/dbraw/zinc/36/65/47/669366547.db2.gz ZXIKQGLVRNSFII-HUUCEWRRSA-N 2 1 310.442 0.743 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC000949098856 670258743 /nfs/dbraw/zinc/25/87/43/670258743.db2.gz HZWAZFAQFIYFPZ-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000854092674 670522775 /nfs/dbraw/zinc/52/27/75/670522775.db2.gz PVROLTFUOSLCQM-MRXNPFEDSA-N 2 1 324.469 0.694 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1cccnc1 ZINC000304759191 685212085 /nfs/dbraw/zinc/21/20/85/685212085.db2.gz QXDRMZXKLCTMKA-UHFFFAOYSA-N 2 1 307.398 0.087 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C(C)C)C[C@H]2O)CC1 ZINC000958722878 687875826 /nfs/dbraw/zinc/87/58/26/687875826.db2.gz ARMGPMYGEYUSMZ-HZPDHXFCSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729256 687882607 /nfs/dbraw/zinc/88/26/07/687882607.db2.gz TUKUTQDVDMGNMG-WBVHZDCISA-N 2 1 315.417 0.404 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC000958729878 687882762 /nfs/dbraw/zinc/88/27/62/687882762.db2.gz YZLJVMGIMVKFFU-NVXWUHKLSA-N 2 1 317.433 0.957 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000960977385 688495011 /nfs/dbraw/zinc/49/50/11/688495011.db2.gz CUEGIVQHXJFIFN-FOLVSLTJSA-N 2 1 307.357 0.561 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961284248 688587669 /nfs/dbraw/zinc/58/76/69/688587669.db2.gz RULDUEZWCPVUSO-GTHOZQOVSA-N 2 1 317.433 0.472 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961284248 688587672 /nfs/dbraw/zinc/58/76/72/688587672.db2.gz RULDUEZWCPVUSO-GTHOZQOVSA-N 2 1 317.433 0.472 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961284248 688587675 /nfs/dbraw/zinc/58/76/75/688587675.db2.gz RULDUEZWCPVUSO-GTHOZQOVSA-N 2 1 317.433 0.472 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961342324 688597704 /nfs/dbraw/zinc/59/77/04/688597704.db2.gz LZEFJWFGSLQTHW-LTIDMASMSA-N 2 1 301.434 0.931 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961610924 688673306 /nfs/dbraw/zinc/67/33/06/688673306.db2.gz UWLGUPULPSBPFW-OJLVUWQFSA-N 2 1 300.406 0.986 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961610924 688673311 /nfs/dbraw/zinc/67/33/11/688673311.db2.gz UWLGUPULPSBPFW-OJLVUWQFSA-N 2 1 300.406 0.986 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCO)CC[C@H]2C)CC1 ZINC000968682779 690365307 /nfs/dbraw/zinc/36/53/07/690365307.db2.gz UJUMHRQRBWSGRZ-ZBFHGGJFSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000968952573 690433562 /nfs/dbraw/zinc/43/35/62/690433562.db2.gz NNEPFNNNIMELKG-CVEARBPZSA-N 2 1 315.421 0.208 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000968952573 690433564 /nfs/dbraw/zinc/43/35/64/690433564.db2.gz NNEPFNNNIMELKG-CVEARBPZSA-N 2 1 315.421 0.208 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073614071 694752280 /nfs/dbraw/zinc/75/22/80/694752280.db2.gz RKAAHNYLPDETFA-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073614071 694752281 /nfs/dbraw/zinc/75/22/81/694752281.db2.gz RKAAHNYLPDETFA-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073614071 694752282 /nfs/dbraw/zinc/75/22/82/694752282.db2.gz RKAAHNYLPDETFA-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087088 694703796 /nfs/dbraw/zinc/70/37/96/694703796.db2.gz IDXAWQLLRCDRRQ-UHFFFAOYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](C[C@@H](C)O)C3)CC1 ZINC001073457344 694729089 /nfs/dbraw/zinc/72/90/89/694729089.db2.gz LUUIGKIVEMMULK-OAHLLOKOSA-N 2 1 319.449 0.247 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001570710031 1162589362 /nfs/dbraw/zinc/58/93/62/1162589362.db2.gz ADVJZWDVFHFRHH-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001570710031 1162589370 /nfs/dbraw/zinc/58/93/70/1162589370.db2.gz ADVJZWDVFHFRHH-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001570710031 1162589376 /nfs/dbraw/zinc/58/93/76/1162589376.db2.gz ADVJZWDVFHFRHH-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001570710031 1162589382 /nfs/dbraw/zinc/58/93/82/1162589382.db2.gz ADVJZWDVFHFRHH-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001570715417 1162593798 /nfs/dbraw/zinc/59/37/98/1162593798.db2.gz CKDLAPASXKSUMB-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001570715417 1162593806 /nfs/dbraw/zinc/59/38/06/1162593806.db2.gz CKDLAPASXKSUMB-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001670474629 1157447691 /nfs/dbraw/zinc/44/76/91/1157447691.db2.gz HWRJTEDORMTMIE-BPLDGKMQSA-N 2 1 322.453 0.113 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691170444 1157604694 /nfs/dbraw/zinc/60/46/94/1157604694.db2.gz BSQWKZOKYWJHHH-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001691385796 1157658734 /nfs/dbraw/zinc/65/87/34/1157658734.db2.gz BFDSDNVKJWYHTP-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001691507854 1158125048 /nfs/dbraw/zinc/12/50/48/1158125048.db2.gz SKRGCHSNGVYTBA-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001691507854 1158125052 /nfs/dbraw/zinc/12/50/52/1158125052.db2.gz SKRGCHSNGVYTBA-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1CC ZINC001691507854 1158125053 /nfs/dbraw/zinc/12/50/53/1158125053.db2.gz SKRGCHSNGVYTBA-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1CC ZINC001691507854 1158125056 /nfs/dbraw/zinc/12/50/56/1158125056.db2.gz SKRGCHSNGVYTBA-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100905002 1158240310 /nfs/dbraw/zinc/24/03/10/1158240310.db2.gz RCGQKCWULKTYFF-WLYUNCDWSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N(C)CCOCC[N@H+](C)C(C)C ZINC001691597845 1158350748 /nfs/dbraw/zinc/35/07/48/1158350748.db2.gz AXELIKHFNZQJEY-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCOCC[N@@H+](C)C(C)C ZINC001691597845 1158350755 /nfs/dbraw/zinc/35/07/55/1158350755.db2.gz AXELIKHFNZQJEY-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCOCC[N@H+](C)C(C)C ZINC001691597845 1158350762 /nfs/dbraw/zinc/35/07/62/1158350762.db2.gz AXELIKHFNZQJEY-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCC[NH+](C)C(C)C ZINC001691597845 1158350770 /nfs/dbraw/zinc/35/07/70/1158350770.db2.gz AXELIKHFNZQJEY-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCC[NH+](C)C(C)C ZINC001691597845 1158350777 /nfs/dbraw/zinc/35/07/77/1158350777.db2.gz AXELIKHFNZQJEY-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001566649719 1160111049 /nfs/dbraw/zinc/11/10/49/1160111049.db2.gz FZOTWHXYZGRFTC-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001566793394 1160154752 /nfs/dbraw/zinc/15/47/52/1160154752.db2.gz QLVWZQQTMRBMCG-FPCVCCKLSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001566842372 1160166130 /nfs/dbraw/zinc/16/61/30/1160166130.db2.gz QACSKHSWYHBRRZ-UXLLHSPISA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001566842372 1160166131 /nfs/dbraw/zinc/16/61/31/1160166131.db2.gz QACSKHSWYHBRRZ-UXLLHSPISA-N 2 1 319.449 0.890 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001566860391 1160170630 /nfs/dbraw/zinc/17/06/30/1160170630.db2.gz YADJUPOYTRPPDA-TUVASFSCSA-N 2 1 322.453 0.256 20 30 DCEDMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001566877909 1160174696 /nfs/dbraw/zinc/17/46/96/1160174696.db2.gz IPKRTQZYUDNJAO-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCNC(=O)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001567646740 1160447757 /nfs/dbraw/zinc/44/77/57/1160447757.db2.gz NSQMQZXOWUMIGC-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001567646740 1160447759 /nfs/dbraw/zinc/44/77/59/1160447759.db2.gz NSQMQZXOWUMIGC-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001567646740 1160447760 /nfs/dbraw/zinc/44/77/60/1160447760.db2.gz NSQMQZXOWUMIGC-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001568800654 1160778090 /nfs/dbraw/zinc/77/80/90/1160778090.db2.gz NPQMNBBSIJKOMG-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)nc1 ZINC001569061650 1160931528 /nfs/dbraw/zinc/93/15/28/1160931528.db2.gz HPUZXSUANPZECM-BBRMVZONSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)nc1 ZINC001569061650 1160931532 /nfs/dbraw/zinc/93/15/32/1160931532.db2.gz HPUZXSUANPZECM-BBRMVZONSA-N 2 1 315.421 0.477 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001569560947 1161149157 /nfs/dbraw/zinc/14/91/57/1161149157.db2.gz LLJNOYLQBACCQW-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2C1 ZINC001569877508 1161290245 /nfs/dbraw/zinc/29/02/45/1161290245.db2.gz PFJKJCAZJLMZDZ-GASCZTMLSA-N 2 1 318.421 0.935 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001570166883 1161466405 /nfs/dbraw/zinc/46/64/05/1161466405.db2.gz FSDLYCNUCYFOAV-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001570166883 1161466413 /nfs/dbraw/zinc/46/64/13/1161466413.db2.gz FSDLYCNUCYFOAV-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001570285175 1161542876 /nfs/dbraw/zinc/54/28/76/1161542876.db2.gz AKJQFEQLOZZDGX-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001570294556 1161551185 /nfs/dbraw/zinc/55/11/85/1161551185.db2.gz WOXSOPBRMGXWLS-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC#CCOC)[C@@H]2C)CC[N@@H+]1C ZINC001656953961 1173897728 /nfs/dbraw/zinc/89/77/28/1173897728.db2.gz RLXAETBLKHHFHL-LTIDMASMSA-N 2 1 321.465 0.946 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC#CCOC)[C@@H]2C)CC[N@H+]1C ZINC001656953961 1173897736 /nfs/dbraw/zinc/89/77/36/1173897736.db2.gz RLXAETBLKHHFHL-LTIDMASMSA-N 2 1 321.465 0.946 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC#CCOC)[C@@H]2C)CC[NH+]1C ZINC001656953961 1173897740 /nfs/dbraw/zinc/89/77/40/1173897740.db2.gz RLXAETBLKHHFHL-LTIDMASMSA-N 2 1 321.465 0.946 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#CCOC)[C@@H]2C)CC[NH+]1C ZINC001656953961 1173897745 /nfs/dbraw/zinc/89/77/45/1173897745.db2.gz RLXAETBLKHHFHL-LTIDMASMSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001660784092 1174049878 /nfs/dbraw/zinc/04/98/78/1174049878.db2.gz LCXXXWCZUYEIKM-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001663750106 1174347825 /nfs/dbraw/zinc/34/78/25/1174347825.db2.gz YWSVNKNUXDKRIR-AWEZNQCLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001663750106 1174347831 /nfs/dbraw/zinc/34/78/31/1174347831.db2.gz YWSVNKNUXDKRIR-AWEZNQCLSA-N 2 1 300.406 0.968 20 30 DCEDMP CC#CC[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001663944139 1174373810 /nfs/dbraw/zinc/37/38/10/1174373810.db2.gz PIKAXDWNLCLDCH-HNNXBMFYSA-N 2 1 303.410 0.861 20 30 DCEDMP CC#CC[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001663944139 1174373815 /nfs/dbraw/zinc/37/38/15/1174373815.db2.gz PIKAXDWNLCLDCH-HNNXBMFYSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001667426450 1174681561 /nfs/dbraw/zinc/68/15/61/1174681561.db2.gz NLWJXOOBFGJMEV-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001667426450 1174681565 /nfs/dbraw/zinc/68/15/65/1174681565.db2.gz NLWJXOOBFGJMEV-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001667426450 1174681567 /nfs/dbraw/zinc/68/15/67/1174681567.db2.gz NLWJXOOBFGJMEV-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001667426450 1174681570 /nfs/dbraw/zinc/68/15/70/1174681570.db2.gz NLWJXOOBFGJMEV-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH2+]CCCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001670100055 1174981240 /nfs/dbraw/zinc/98/12/40/1174981240.db2.gz OJOYNRQELIEKQB-HNNXBMFYSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CC[NH2+]CCCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001670100055 1174981243 /nfs/dbraw/zinc/98/12/43/1174981243.db2.gz OJOYNRQELIEKQB-HNNXBMFYSA-N 2 1 303.410 0.861 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001672538512 1175123164 /nfs/dbraw/zinc/12/31/64/1175123164.db2.gz RRVQSIBBOMAUPI-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001673294289 1175187476 /nfs/dbraw/zinc/18/74/76/1175187476.db2.gz YVAPDMJNHWFDAW-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001674486033 1175278514 /nfs/dbraw/zinc/27/85/14/1175278514.db2.gz BXEKNYVZBOYDIA-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001674486033 1175278520 /nfs/dbraw/zinc/27/85/20/1175278520.db2.gz BXEKNYVZBOYDIA-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001676584410 1175464416 /nfs/dbraw/zinc/46/44/16/1175464416.db2.gz WOWWXGMTOJNNFS-CJNGLKHVSA-N 2 1 315.433 0.842 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001677115913 1175530083 /nfs/dbraw/zinc/53/00/83/1175530083.db2.gz ATXVMVMXWAYLED-XJKSGUPXSA-N 2 1 315.433 0.794 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001691757272 1175654905 /nfs/dbraw/zinc/65/49/05/1175654905.db2.gz DMCVRXRBSHWUSY-IXDOHACOSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001690079293 1177164079 /nfs/dbraw/zinc/16/40/79/1177164079.db2.gz AVQDXWGPWHWCBA-UHFFFAOYSA-N 2 1 306.454 0.085 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001691910599 1177381823 /nfs/dbraw/zinc/38/18/23/1177381823.db2.gz KCHXRNFDAIBELQ-LBPRGKRZSA-N 2 1 319.409 0.416 20 30 DCEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001691951319 1177390315 /nfs/dbraw/zinc/39/03/15/1177390315.db2.gz FGGKQWNYFVNQTD-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001691951319 1177390318 /nfs/dbraw/zinc/39/03/18/1177390318.db2.gz FGGKQWNYFVNQTD-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001692351745 1177492182 /nfs/dbraw/zinc/49/21/82/1177492182.db2.gz AHGJIISYQCZOIM-OAHLLOKOSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001692351745 1177492186 /nfs/dbraw/zinc/49/21/86/1177492186.db2.gz AHGJIISYQCZOIM-OAHLLOKOSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699260884 1178000874 /nfs/dbraw/zinc/00/08/74/1178000874.db2.gz MCHSMYBMRIWFBT-XIKIYNFVSA-N 2 1 322.453 0.279 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)cn1 ZINC001699407629 1178123776 /nfs/dbraw/zinc/12/37/76/1178123776.db2.gz TUQSRQXWKVGCAQ-HOCLYGCPSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)cn1 ZINC001699407629 1178123779 /nfs/dbraw/zinc/12/37/79/1178123779.db2.gz TUQSRQXWKVGCAQ-HOCLYGCPSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC#C)C1CCCC1 ZINC001699795082 1178287720 /nfs/dbraw/zinc/28/77/20/1178287720.db2.gz KZZJJJDNGBOXAG-IRXDYDNUSA-N 2 1 301.434 0.982 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC#C)C1CCCC1 ZINC001699795082 1178287725 /nfs/dbraw/zinc/28/77/25/1178287725.db2.gz KZZJJJDNGBOXAG-IRXDYDNUSA-N 2 1 301.434 0.982 20 30 DCEDMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NCC#N)CC2)CC[N@H+]1C ZINC001699993292 1178412168 /nfs/dbraw/zinc/41/21/68/1178412168.db2.gz NOUUBINRHLXIJH-UKRRQHHQSA-N 2 1 307.442 0.020 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001700233098 1178542721 /nfs/dbraw/zinc/54/27/21/1178542721.db2.gz MXUBDHITBUQUQF-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700706403 1178718184 /nfs/dbraw/zinc/71/81/84/1178718184.db2.gz SGKVDJGMCMWJHL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001700788781 1178745041 /nfs/dbraw/zinc/74/50/41/1178745041.db2.gz APGYBXFVFSPDFI-GJZGRUSLSA-N 2 1 307.438 0.341 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001713160065 1180703109 /nfs/dbraw/zinc/70/31/09/1180703109.db2.gz USAPJHKVLZEYNH-KKUMJFAQSA-N 2 1 322.453 0.400 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001713302142 1180756750 /nfs/dbraw/zinc/75/67/50/1180756750.db2.gz UOPMGKVLRDBOKJ-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001713519622 1180891415 /nfs/dbraw/zinc/89/14/15/1180891415.db2.gz FGOYRBQIBXLUOZ-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001713519622 1180891423 /nfs/dbraw/zinc/89/14/23/1180891423.db2.gz FGOYRBQIBXLUOZ-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713519622 1180891431 /nfs/dbraw/zinc/89/14/31/1180891431.db2.gz FGOYRBQIBXLUOZ-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713519622 1180891440 /nfs/dbraw/zinc/89/14/40/1180891440.db2.gz FGOYRBQIBXLUOZ-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001713541625 1180910438 /nfs/dbraw/zinc/91/04/38/1180910438.db2.gz LYVJOIUKTZMPLJ-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC#CC)C1 ZINC001713731416 1181033097 /nfs/dbraw/zinc/03/30/97/1181033097.db2.gz KSYIHPOLFBEZCU-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC#CC)C1 ZINC001713731416 1181033106 /nfs/dbraw/zinc/03/31/06/1181033106.db2.gz KSYIHPOLFBEZCU-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC#CC)C1 ZINC001713731416 1181033113 /nfs/dbraw/zinc/03/31/13/1181033113.db2.gz KSYIHPOLFBEZCU-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC#CC)C1 ZINC001713731416 1181033122 /nfs/dbraw/zinc/03/31/22/1181033122.db2.gz KSYIHPOLFBEZCU-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001713755929 1181048541 /nfs/dbraw/zinc/04/85/41/1181048541.db2.gz KOSQOHIOORGYGX-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001714093748 1181240501 /nfs/dbraw/zinc/24/05/01/1181240501.db2.gz QHPWEQASENQTFS-OAHLLOKOSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714117761 1181251934 /nfs/dbraw/zinc/25/19/34/1181251934.db2.gz CRQQFJNUKSWAGP-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714117761 1181251939 /nfs/dbraw/zinc/25/19/39/1181251939.db2.gz CRQQFJNUKSWAGP-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714117761 1181251951 /nfs/dbraw/zinc/25/19/51/1181251951.db2.gz CRQQFJNUKSWAGP-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714117761 1181251957 /nfs/dbraw/zinc/25/19/57/1181251957.db2.gz CRQQFJNUKSWAGP-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC[C@@H]2CCOC2)CC1 ZINC001714572060 1181421782 /nfs/dbraw/zinc/42/17/82/1181421782.db2.gz IKUBXFGQKVHDRN-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001714637391 1181456027 /nfs/dbraw/zinc/45/60/27/1181456027.db2.gz WVQFQHBBMFUWBY-YESZJQIVSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001714637391 1181456030 /nfs/dbraw/zinc/45/60/30/1181456030.db2.gz WVQFQHBBMFUWBY-YESZJQIVSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001714637391 1181456031 /nfs/dbraw/zinc/45/60/31/1181456031.db2.gz WVQFQHBBMFUWBY-YESZJQIVSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001714648804 1181460401 /nfs/dbraw/zinc/46/04/01/1181460401.db2.gz URYFBGYGHCUVAO-OAHLLOKOSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nocc1C ZINC001714713968 1181498573 /nfs/dbraw/zinc/49/85/73/1181498573.db2.gz AUPKXTVVHGLOAS-HNNXBMFYSA-N 2 1 304.394 0.629 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nocc1C ZINC001714713968 1181498576 /nfs/dbraw/zinc/49/85/76/1181498576.db2.gz AUPKXTVVHGLOAS-HNNXBMFYSA-N 2 1 304.394 0.629 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001714806338 1181557121 /nfs/dbraw/zinc/55/71/21/1181557121.db2.gz XEHWXVMKCAQVTL-UHFFFAOYSA-N 2 1 317.433 0.816 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001714806338 1181557124 /nfs/dbraw/zinc/55/71/24/1181557124.db2.gz XEHWXVMKCAQVTL-UHFFFAOYSA-N 2 1 317.433 0.816 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001714892390 1181590631 /nfs/dbraw/zinc/59/06/31/1181590631.db2.gz XVPWAZONBGAJQK-INIZCTEOSA-N 2 1 308.470 0.590 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001715008964 1181645403 /nfs/dbraw/zinc/64/54/03/1181645403.db2.gz GDYGXXOWRKZAMV-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001715124712 1181696298 /nfs/dbraw/zinc/69/62/98/1181696298.db2.gz NFBXCTXXHHMRDE-GUYCJALGSA-N 2 1 322.453 0.115 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C[C@H](C)O)CC1 ZINC001715201575 1181714497 /nfs/dbraw/zinc/71/44/97/1181714497.db2.gz HIJUOZQPOHIDCZ-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C[C@H](C)O)CC1 ZINC001715201575 1181714505 /nfs/dbraw/zinc/71/45/05/1181714505.db2.gz HIJUOZQPOHIDCZ-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001715832798 1182038059 /nfs/dbraw/zinc/03/80/59/1182038059.db2.gz JYJIWJBSYLLIFC-RYTMFUSVSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(OCC)C1 ZINC001716398561 1182374580 /nfs/dbraw/zinc/37/45/80/1182374580.db2.gz ABUMXALQDZQKGW-VXLLPVPCSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(OCC)C1 ZINC001716398561 1182374586 /nfs/dbraw/zinc/37/45/86/1182374586.db2.gz ABUMXALQDZQKGW-VXLLPVPCSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC[NH+](CC=C)CC1 ZINC001716811607 1182533934 /nfs/dbraw/zinc/53/39/34/1182533934.db2.gz GBMWTQIWICRWSN-KRWDZBQOSA-N 2 1 319.449 0.819 20 30 DCEDMP C#CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC[NH+](CC=C)CC1 ZINC001716811607 1182533938 /nfs/dbraw/zinc/53/39/38/1182533938.db2.gz GBMWTQIWICRWSN-KRWDZBQOSA-N 2 1 319.449 0.819 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001716920097 1182574606 /nfs/dbraw/zinc/57/46/06/1182574606.db2.gz NYCUSIUNIHILHY-GDBMZVCRSA-N 2 1 313.417 0.243 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001717337490 1182790523 /nfs/dbraw/zinc/79/05/23/1182790523.db2.gz LCQBPAKUKPRBKN-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)C[C@H](C)OC)CC1 ZINC001717500062 1182866730 /nfs/dbraw/zinc/86/67/30/1182866730.db2.gz OPXXEQVJZVWJSF-GJZGRUSLSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001717564584 1182902238 /nfs/dbraw/zinc/90/22/38/1182902238.db2.gz JGKNSHXACJVJRW-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001717564584 1182902242 /nfs/dbraw/zinc/90/22/42/1182902242.db2.gz JGKNSHXACJVJRW-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCNC(=O)C[N@@H+](C)C(C)C ZINC001720295618 1183552686 /nfs/dbraw/zinc/55/26/86/1183552686.db2.gz CWRUXSPLFZYRMH-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCNC(=O)C[N@H+](C)C(C)C ZINC001720295618 1183552687 /nfs/dbraw/zinc/55/26/87/1183552687.db2.gz CWRUXSPLFZYRMH-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C[NH+](C)C(C)C ZINC001720295618 1183552688 /nfs/dbraw/zinc/55/26/88/1183552688.db2.gz CWRUXSPLFZYRMH-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C[NH+](C)C(C)C ZINC001720295618 1183552689 /nfs/dbraw/zinc/55/26/89/1183552689.db2.gz CWRUXSPLFZYRMH-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001753000938 1184242014 /nfs/dbraw/zinc/24/20/14/1184242014.db2.gz WNNKKYAJWPGMPM-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001724178822 1184396739 /nfs/dbraw/zinc/39/67/39/1184396739.db2.gz JJNPPZZZHQNPTR-MRXNPFEDSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001724178822 1184396747 /nfs/dbraw/zinc/39/67/47/1184396747.db2.gz JJNPPZZZHQNPTR-MRXNPFEDSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001724178822 1184396754 /nfs/dbraw/zinc/39/67/54/1184396754.db2.gz JJNPPZZZHQNPTR-MRXNPFEDSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001724178822 1184396760 /nfs/dbraw/zinc/39/67/60/1184396760.db2.gz JJNPPZZZHQNPTR-MRXNPFEDSA-N 2 1 310.442 0.211 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001724223184 1184403213 /nfs/dbraw/zinc/40/32/13/1184403213.db2.gz ORUDNEVFNPIIQZ-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC#CCOC)C1 ZINC001724258885 1184405727 /nfs/dbraw/zinc/40/57/27/1184405727.db2.gz JZIFBUUIZHLAOE-QGZVFWFLSA-N 2 1 309.454 0.806 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001724423365 1184440147 /nfs/dbraw/zinc/44/01/47/1184440147.db2.gz ZBIMOQLHWPUPRG-GOSISDBHSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001724534900 1184459992 /nfs/dbraw/zinc/45/99/92/1184459992.db2.gz VRNFGAIWLOGOOZ-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C1(CC)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001724889795 1184609067 /nfs/dbraw/zinc/60/90/67/1184609067.db2.gz PGFFTIUQNGPQMF-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001725650617 1184927634 /nfs/dbraw/zinc/92/76/34/1184927634.db2.gz KJLYQBXADACIEF-JKSUJKDBSA-N 2 1 318.421 0.716 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001725716630 1184966971 /nfs/dbraw/zinc/96/69/71/1184966971.db2.gz NMIKDPINFVCPPP-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC ZINC001725758458 1184984893 /nfs/dbraw/zinc/98/48/93/1184984893.db2.gz VZPCWLZGWGCQSW-INIZCTEOSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001731352636 1185286068 /nfs/dbraw/zinc/28/60/68/1185286068.db2.gz PSLCAUUNBVWPFG-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001731352636 1185286071 /nfs/dbraw/zinc/28/60/71/1185286071.db2.gz PSLCAUUNBVWPFG-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001731702081 1185449942 /nfs/dbraw/zinc/44/99/42/1185449942.db2.gz KFAZQUMGPQXIBB-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001733172581 1186169380 /nfs/dbraw/zinc/16/93/80/1186169380.db2.gz HCVUWKZMUMIJTI-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCOCC=C)CC1 ZINC001733237887 1186197472 /nfs/dbraw/zinc/19/74/72/1186197472.db2.gz QBJLLYGYHYCGJK-KRWDZBQOSA-N 2 1 319.449 0.725 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001733492000 1186300054 /nfs/dbraw/zinc/30/00/54/1186300054.db2.gz JMOUICDPTZGZEE-QGZVFWFLSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001734076438 1186541713 /nfs/dbraw/zinc/54/17/13/1186541713.db2.gz CJUXHFFGTROEAI-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001734076438 1186541716 /nfs/dbraw/zinc/54/17/16/1186541716.db2.gz CJUXHFFGTROEAI-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001734117249 1186551038 /nfs/dbraw/zinc/55/10/38/1186551038.db2.gz NBJQLHXQWZNOTR-CQSZACIVSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734117249 1186551043 /nfs/dbraw/zinc/55/10/43/1186551043.db2.gz NBJQLHXQWZNOTR-CQSZACIVSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#CCOC)CC1(C)C ZINC001734155953 1186563512 /nfs/dbraw/zinc/56/35/12/1186563512.db2.gz ZUFAYNBVCWWGSX-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#CCOC)CC1(C)C ZINC001734155953 1186563517 /nfs/dbraw/zinc/56/35/17/1186563517.db2.gz ZUFAYNBVCWWGSX-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)CC1(C)C ZINC001734155953 1186563522 /nfs/dbraw/zinc/56/35/22/1186563522.db2.gz ZUFAYNBVCWWGSX-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)CC1(C)C ZINC001734155953 1186563525 /nfs/dbraw/zinc/56/35/25/1186563525.db2.gz ZUFAYNBVCWWGSX-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734417147 1186647511 /nfs/dbraw/zinc/64/75/11/1186647511.db2.gz POGWEXDMLCYDSE-ZIAGYGMSSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001752850578 1188450706 /nfs/dbraw/zinc/45/07/06/1188450706.db2.gz VOKOAPRWEJBTPC-RDHHWEPZSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001753095150 1188496580 /nfs/dbraw/zinc/49/65/80/1188496580.db2.gz YOLCGFWOFKTOAF-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001753515373 1188613298 /nfs/dbraw/zinc/61/32/98/1188613298.db2.gz YYDIWEDSJDKSGQ-RHSMWYFYSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001753767896 1188653019 /nfs/dbraw/zinc/65/30/19/1188653019.db2.gz PVLBENFRPSTBLL-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001753818558 1188658648 /nfs/dbraw/zinc/65/86/48/1188658648.db2.gz VCJHUONSHPIAMR-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001753818558 1188658649 /nfs/dbraw/zinc/65/86/49/1188658649.db2.gz VCJHUONSHPIAMR-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001753818558 1188658650 /nfs/dbraw/zinc/65/86/50/1188658650.db2.gz VCJHUONSHPIAMR-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001753818558 1188658651 /nfs/dbraw/zinc/65/86/51/1188658651.db2.gz VCJHUONSHPIAMR-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001754777826 1188934894 /nfs/dbraw/zinc/93/48/94/1188934894.db2.gz DIFASZFFLWXCAS-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001754857160 1188951233 /nfs/dbraw/zinc/95/12/33/1188951233.db2.gz AOBPFLCCGNRPBB-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001754857160 1188951234 /nfs/dbraw/zinc/95/12/34/1188951234.db2.gz AOBPFLCCGNRPBB-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001754857160 1188951237 /nfs/dbraw/zinc/95/12/37/1188951237.db2.gz AOBPFLCCGNRPBB-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027752 1189001233 /nfs/dbraw/zinc/00/12/33/1189001233.db2.gz GOLWACNHOKUYHE-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001755045283 1189004783 /nfs/dbraw/zinc/00/47/83/1189004783.db2.gz PJAAWTSPRWKWPD-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755045283 1189004785 /nfs/dbraw/zinc/00/47/85/1189004785.db2.gz PJAAWTSPRWKWPD-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755045283 1189004787 /nfs/dbraw/zinc/00/47/87/1189004787.db2.gz PJAAWTSPRWKWPD-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001755305324 1189073824 /nfs/dbraw/zinc/07/38/24/1189073824.db2.gz NIACWCLRRIFHIW-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001755312625 1189077011 /nfs/dbraw/zinc/07/70/11/1189077011.db2.gz DMEZFFCIRKYZKV-KBPBESRZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001755312625 1189077016 /nfs/dbraw/zinc/07/70/16/1189077016.db2.gz DMEZFFCIRKYZKV-KBPBESRZSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001755655991 1189176837 /nfs/dbraw/zinc/17/68/37/1189176837.db2.gz GXVCJXHJVRQEJX-TZMCWYRMSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001755787416 1189213505 /nfs/dbraw/zinc/21/35/05/1189213505.db2.gz VORNQJMHYUXZRZ-GOEBONIOSA-N 2 1 318.421 0.186 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001124836241 751720544 /nfs/dbraw/zinc/72/05/44/751720544.db2.gz DRKXPXLYHROGTC-MRXNPFEDSA-N 2 1 303.381 0.977 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001098524931 746962005 /nfs/dbraw/zinc/96/20/05/746962005.db2.gz VMZPNHDKHWVBDS-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524931 746962010 /nfs/dbraw/zinc/96/20/10/746962010.db2.gz VMZPNHDKHWVBDS-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524931 746962015 /nfs/dbraw/zinc/96/20/15/746962015.db2.gz VMZPNHDKHWVBDS-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235290 747339582 /nfs/dbraw/zinc/33/95/82/747339582.db2.gz WIHJFEOYVNOUQC-JKSUJKDBSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235290 747339585 /nfs/dbraw/zinc/33/95/85/747339585.db2.gz WIHJFEOYVNOUQC-JKSUJKDBSA-N 2 1 323.437 0.195 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098723475 749290775 /nfs/dbraw/zinc/29/07/75/749290775.db2.gz XYRMKNNYHKZNAK-HNNXBMFYSA-N 2 1 320.441 0.669 20 30 DCEDMP C#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088619740 749804186 /nfs/dbraw/zinc/80/41/86/749804186.db2.gz ZELRPNKIASJHKH-HYVNUMGLSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088619740 749804193 /nfs/dbraw/zinc/80/41/93/749804193.db2.gz ZELRPNKIASJHKH-HYVNUMGLSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088619740 749804202 /nfs/dbraw/zinc/80/42/02/749804202.db2.gz ZELRPNKIASJHKH-HYVNUMGLSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088619740 749804203 /nfs/dbraw/zinc/80/42/03/749804203.db2.gz ZELRPNKIASJHKH-HYVNUMGLSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088619740 749804213 /nfs/dbraw/zinc/80/42/13/749804213.db2.gz ZELRPNKIASJHKH-HYVNUMGLSA-N 2 1 319.449 0.842 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465779 749925140 /nfs/dbraw/zinc/92/51/40/749925140.db2.gz RQQDLOKCLYNMST-XHSDSOJGSA-N 2 1 307.438 0.456 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106246346 751063057 /nfs/dbraw/zinc/06/30/57/751063057.db2.gz LDXZRFYQHJSWDF-OAGGEKHMSA-N 2 1 317.437 0.131 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350654 751273900 /nfs/dbraw/zinc/27/39/00/751273900.db2.gz IHOJOZVOLFHYGJ-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350654 751273906 /nfs/dbraw/zinc/27/39/06/751273906.db2.gz IHOJOZVOLFHYGJ-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089350654 751273911 /nfs/dbraw/zinc/27/39/11/751273911.db2.gz IHOJOZVOLFHYGJ-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089350654 751273917 /nfs/dbraw/zinc/27/39/17/751273917.db2.gz IHOJOZVOLFHYGJ-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC2(CCOCC2)C1 ZINC001099594449 752576814 /nfs/dbraw/zinc/57/68/14/752576814.db2.gz DAXFRTULPWTOSV-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC2(CCOCC2)C1 ZINC001099594449 752576816 /nfs/dbraw/zinc/57/68/16/752576816.db2.gz DAXFRTULPWTOSV-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC2(CCOCC2)C1 ZINC001099594449 752576820 /nfs/dbraw/zinc/57/68/20/752576820.db2.gz DAXFRTULPWTOSV-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CN(C)CCO1)C2 ZINC001045925804 753372192 /nfs/dbraw/zinc/37/21/92/753372192.db2.gz UWROTZNWDQNHCF-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696878 753880994 /nfs/dbraw/zinc/88/09/94/753880994.db2.gz XBQJPOLQWCOERT-MRXNPFEDSA-N 2 1 305.426 0.825 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083832522 753959561 /nfs/dbraw/zinc/95/95/61/753959561.db2.gz KNVRMAXWKIKTOD-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832522 753959564 /nfs/dbraw/zinc/95/95/64/753959564.db2.gz KNVRMAXWKIKTOD-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832522 753959567 /nfs/dbraw/zinc/95/95/67/753959567.db2.gz KNVRMAXWKIKTOD-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832522 753959569 /nfs/dbraw/zinc/95/95/69/753959569.db2.gz KNVRMAXWKIKTOD-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001047401553 754248320 /nfs/dbraw/zinc/24/83/20/754248320.db2.gz WTQDUJXPAJGIQV-JYJNAYRXSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401553 754248324 /nfs/dbraw/zinc/24/83/24/754248324.db2.gz WTQDUJXPAJGIQV-JYJNAYRXSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401553 754248327 /nfs/dbraw/zinc/24/83/27/754248327.db2.gz WTQDUJXPAJGIQV-JYJNAYRXSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCC)C[C@@H]2O)CC1 ZINC001047638261 754452931 /nfs/dbraw/zinc/45/29/31/754452931.db2.gz JTUVGGIKMQNRKG-HOTGVXAUSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001048868742 754987116 /nfs/dbraw/zinc/98/71/16/754987116.db2.gz LWQUUDRIQXIJIL-XHSDSOJGSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001048868742 754987117 /nfs/dbraw/zinc/98/71/17/754987117.db2.gz LWQUUDRIQXIJIL-XHSDSOJGSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001048868742 754987122 /nfs/dbraw/zinc/98/71/22/754987122.db2.gz LWQUUDRIQXIJIL-XHSDSOJGSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCF)C[C@@H]2C1 ZINC001048868742 754987125 /nfs/dbraw/zinc/98/71/25/754987125.db2.gz LWQUUDRIQXIJIL-XHSDSOJGSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCF)C[C@@H]2C1 ZINC001048868742 754987130 /nfs/dbraw/zinc/98/71/30/754987130.db2.gz LWQUUDRIQXIJIL-XHSDSOJGSA-N 2 1 307.413 0.834 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116205 755125278 /nfs/dbraw/zinc/12/52/78/755125278.db2.gz CWWOSNILTNSFAK-IYBDPMFKSA-N 2 1 307.438 0.675 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116205 755125280 /nfs/dbraw/zinc/12/52/80/755125280.db2.gz CWWOSNILTNSFAK-IYBDPMFKSA-N 2 1 307.438 0.675 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@H]2C1 ZINC001049139417 755145523 /nfs/dbraw/zinc/14/55/23/755145523.db2.gz YDYNDLYPHNEQLR-IYBDPMFKSA-N 2 1 321.384 0.904 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@H]2C1 ZINC001049139417 755145526 /nfs/dbraw/zinc/14/55/26/755145526.db2.gz YDYNDLYPHNEQLR-IYBDPMFKSA-N 2 1 321.384 0.904 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391856 755247850 /nfs/dbraw/zinc/24/78/50/755247850.db2.gz RRQJGNISQOHMPP-XHSDSOJGSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791105 755400528 /nfs/dbraw/zinc/40/05/28/755400528.db2.gz PWGSBUMWNHGKLG-CVEARBPZSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791105 755400532 /nfs/dbraw/zinc/40/05/32/755400532.db2.gz PWGSBUMWNHGKLG-CVEARBPZSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097093889 755595011 /nfs/dbraw/zinc/59/50/11/755595011.db2.gz XDYGHGNFIANMCJ-BMFZPTHFSA-N 2 1 315.421 0.413 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097093889 755595014 /nfs/dbraw/zinc/59/50/14/755595014.db2.gz XDYGHGNFIANMCJ-BMFZPTHFSA-N 2 1 315.421 0.413 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090355490 755666104 /nfs/dbraw/zinc/66/61/04/755666104.db2.gz PVBGNWGFPJZELZ-CVEARBPZSA-N 2 1 321.465 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090355491 755666259 /nfs/dbraw/zinc/66/62/59/755666259.db2.gz PVBGNWGFPJZELZ-HOTGVXAUSA-N 2 1 321.465 0.990 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H](OC)C1 ZINC001082384088 757090055 /nfs/dbraw/zinc/09/00/55/757090055.db2.gz CCLTZFUZGPVSKX-IAGOWNOFSA-N 2 1 317.433 0.170 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@H]2OC)CC1 ZINC001082383148 757090662 /nfs/dbraw/zinc/09/06/62/757090662.db2.gz KKPICQRDLZWWRC-IAGOWNOFSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110584 757469801 /nfs/dbraw/zinc/46/98/01/757469801.db2.gz KTTRQDSVCNUTGC-YESZJQIVSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110584 757469804 /nfs/dbraw/zinc/46/98/04/757469804.db2.gz KTTRQDSVCNUTGC-YESZJQIVSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110584 757469808 /nfs/dbraw/zinc/46/98/08/757469808.db2.gz KTTRQDSVCNUTGC-YESZJQIVSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001050550298 757830842 /nfs/dbraw/zinc/83/08/42/757830842.db2.gz LAXNRKYLPDDVAQ-HNNXBMFYSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001050550298 757830859 /nfs/dbraw/zinc/83/08/59/757830859.db2.gz LAXNRKYLPDDVAQ-HNNXBMFYSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447164 757839173 /nfs/dbraw/zinc/83/91/73/757839173.db2.gz BCOFHCPCWYETMR-KLHDSHLOSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447164 757839178 /nfs/dbraw/zinc/83/91/78/757839178.db2.gz BCOFHCPCWYETMR-KLHDSHLOSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447164 757839192 /nfs/dbraw/zinc/83/91/92/757839192.db2.gz BCOFHCPCWYETMR-KLHDSHLOSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447164 757839199 /nfs/dbraw/zinc/83/91/99/757839199.db2.gz BCOFHCPCWYETMR-KLHDSHLOSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970180 758145647 /nfs/dbraw/zinc/14/56/47/758145647.db2.gz RXIIHDSHHHBFEO-WCXIOVBPSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970180 758145651 /nfs/dbraw/zinc/14/56/51/758145651.db2.gz RXIIHDSHHHBFEO-WCXIOVBPSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970180 758145655 /nfs/dbraw/zinc/14/56/55/758145655.db2.gz RXIIHDSHHHBFEO-WCXIOVBPSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970180 758145658 /nfs/dbraw/zinc/14/56/58/758145658.db2.gz RXIIHDSHHHBFEO-WCXIOVBPSA-N 2 1 319.449 0.652 20 30 DCEDMP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117589 759191430 /nfs/dbraw/zinc/19/14/30/759191430.db2.gz UQHLRAYNTXYEOC-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001147842357 767859606 /nfs/dbraw/zinc/85/96/06/767859606.db2.gz UGVCJBIBMJQHLP-UHFFFAOYSA-N 2 1 322.384 0.481 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052571522 759499576 /nfs/dbraw/zinc/49/95/76/759499576.db2.gz GWJAPHDUADYYRS-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052571522 759499579 /nfs/dbraw/zinc/49/95/79/759499579.db2.gz GWJAPHDUADYYRS-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052571522 759499583 /nfs/dbraw/zinc/49/95/83/759499583.db2.gz GWJAPHDUADYYRS-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001098451093 760304883 /nfs/dbraw/zinc/30/48/83/760304883.db2.gz VKMGKDNAIJTWGF-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098451093 760304894 /nfs/dbraw/zinc/30/48/94/760304894.db2.gz VKMGKDNAIJTWGF-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098451093 760304904 /nfs/dbraw/zinc/30/49/04/760304904.db2.gz VKMGKDNAIJTWGF-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124266 760441288 /nfs/dbraw/zinc/44/12/88/760441288.db2.gz FUMHUZSYVNTQMM-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125069 760445759 /nfs/dbraw/zinc/44/57/59/760445759.db2.gz RJBKBPQZYQUDJC-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)CC[N@@H+](C)CC)CC2=O)C1 ZINC001108584821 760930118 /nfs/dbraw/zinc/93/01/18/760930118.db2.gz MBMPNSQBQYJHHW-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)CC[N@H+](C)CC)CC2=O)C1 ZINC001108584821 760930123 /nfs/dbraw/zinc/93/01/23/760930123.db2.gz MBMPNSQBQYJHHW-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127515 761159294 /nfs/dbraw/zinc/15/92/94/761159294.db2.gz WDWYPQXSUMOXEP-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475167 761263317 /nfs/dbraw/zinc/26/33/17/761263317.db2.gz HDGHRHKVBRZYKJ-NUEKZKHPSA-N 2 1 317.437 0.584 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)nn1 ZINC001098685847 762711287 /nfs/dbraw/zinc/71/12/87/762711287.db2.gz RVIWMBFXQWNWHA-LSDHHAIUSA-N 2 1 320.441 0.667 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001098993702 762775308 /nfs/dbraw/zinc/77/53/08/762775308.db2.gz LKYMUNJNPMFVED-BQFCYCMXSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001098993702 762775311 /nfs/dbraw/zinc/77/53/11/762775311.db2.gz LKYMUNJNPMFVED-BQFCYCMXSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098993702 762775312 /nfs/dbraw/zinc/77/53/12/762775312.db2.gz LKYMUNJNPMFVED-BQFCYCMXSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098993702 762775315 /nfs/dbraw/zinc/77/53/15/762775315.db2.gz LKYMUNJNPMFVED-BQFCYCMXSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589362 762907568 /nfs/dbraw/zinc/90/75/68/762907568.db2.gz WZSSXZMCKIGFCS-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)C1CCCCC1 ZINC001129770124 763006786 /nfs/dbraw/zinc/00/67/86/763006786.db2.gz BHZLYYRXDDRLMP-DLBZAZTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)C1CCCCC1 ZINC001129770124 763006792 /nfs/dbraw/zinc/00/67/92/763006792.db2.gz BHZLYYRXDDRLMP-DLBZAZTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1cnn(CC)c1 ZINC001129770603 763008777 /nfs/dbraw/zinc/00/87/77/763008777.db2.gz JUFWLSQZHSFJOG-INIZCTEOSA-N 2 1 317.437 0.249 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1cnn(CC)c1 ZINC001129770603 763008785 /nfs/dbraw/zinc/00/87/85/763008785.db2.gz JUFWLSQZHSFJOG-INIZCTEOSA-N 2 1 317.437 0.249 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099985500 763188964 /nfs/dbraw/zinc/18/89/64/763188964.db2.gz CXRFUBVUKRZMFB-HOTGVXAUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075931 763285921 /nfs/dbraw/zinc/28/59/21/763285921.db2.gz CKCUCBQOEHGBLG-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130708638 763455449 /nfs/dbraw/zinc/45/54/49/763455449.db2.gz BUFJEQYTABEYAJ-GJZGRUSLSA-N 2 1 324.469 0.503 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410599 763560108 /nfs/dbraw/zinc/56/01/08/763560108.db2.gz DTUZBLSBUDJPGS-UHFFFAOYSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100509629 763623982 /nfs/dbraw/zinc/62/39/82/763623982.db2.gz QHDUJPUHDARBRD-UHFFFAOYSA-N 2 1 304.394 0.326 20 30 DCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131587936 763873413 /nfs/dbraw/zinc/87/34/13/763873413.db2.gz HLNSFFNUYHAHQE-AEFFLSMTSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132435121 764456195 /nfs/dbraw/zinc/45/61/95/764456195.db2.gz BMGDJRLFWQMECQ-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132435121 764456201 /nfs/dbraw/zinc/45/62/01/764456201.db2.gz BMGDJRLFWQMECQ-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132435121 764456210 /nfs/dbraw/zinc/45/62/10/764456210.db2.gz BMGDJRLFWQMECQ-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132435121 764456211 /nfs/dbraw/zinc/45/62/11/764456211.db2.gz BMGDJRLFWQMECQ-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCOC)C[C@H]1C ZINC001102055971 764512506 /nfs/dbraw/zinc/51/25/06/764512506.db2.gz HOBLDQFWLWDSPN-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCOC)C[C@H]1C ZINC001102055971 764512515 /nfs/dbraw/zinc/51/25/15/764512515.db2.gz HOBLDQFWLWDSPN-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCOC)C[C@H]1C ZINC001102055971 764512521 /nfs/dbraw/zinc/51/25/21/764512521.db2.gz HOBLDQFWLWDSPN-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCOC)C[C@H]1C ZINC001102055971 764512525 /nfs/dbraw/zinc/51/25/25/764512525.db2.gz HOBLDQFWLWDSPN-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#CCOC)C2)[NH+](C)C ZINC001111875260 765412113 /nfs/dbraw/zinc/41/21/13/765412113.db2.gz VOTCMEZZOYRVOB-BQFCYCMXSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291529 765494213 /nfs/dbraw/zinc/49/42/13/765494213.db2.gz OKXICJSFRZTXDX-ZOBUZTSGSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291529 765494222 /nfs/dbraw/zinc/49/42/22/765494222.db2.gz OKXICJSFRZTXDX-ZOBUZTSGSA-N 2 1 307.438 0.721 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCO)CCCCC1 ZINC001115577723 765761563 /nfs/dbraw/zinc/76/15/63/765761563.db2.gz GBZMPRLXKMLTPU-INIZCTEOSA-N 2 1 321.465 0.875 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCO)CCCCC1 ZINC001115577723 765761568 /nfs/dbraw/zinc/76/15/68/765761568.db2.gz GBZMPRLXKMLTPU-INIZCTEOSA-N 2 1 321.465 0.875 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090671037 766452849 /nfs/dbraw/zinc/45/28/49/766452849.db2.gz FUXXYSYGUFDVMM-JKSUJKDBSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]c1ccc2c(=O)[nH]cc-2[nH]1 ZINC001171067397 766606470 /nfs/dbraw/zinc/60/64/70/766606470.db2.gz BUQFYYFXDRTMMP-LBPRGKRZSA-N 2 1 318.377 0.964 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001119392000 766659030 /nfs/dbraw/zinc/65/90/30/766659030.db2.gz SKKLSZQFDNUPHX-HOTGVXAUSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001119392000 766659034 /nfs/dbraw/zinc/65/90/34/766659034.db2.gz SKKLSZQFDNUPHX-HOTGVXAUSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001119392000 766659036 /nfs/dbraw/zinc/65/90/36/766659036.db2.gz SKKLSZQFDNUPHX-HOTGVXAUSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001119392000 766659039 /nfs/dbraw/zinc/65/90/39/766659039.db2.gz SKKLSZQFDNUPHX-HOTGVXAUSA-N 2 1 304.438 0.964 20 30 DCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001091150812 766960007 /nfs/dbraw/zinc/96/00/07/766960007.db2.gz AAYGSDSLKVUAEJ-UZZMVUAXSA-N 2 1 305.422 0.520 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099918576 768374313 /nfs/dbraw/zinc/37/43/13/768374313.db2.gz NMNJYZHTLPXFAV-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099918576 768374320 /nfs/dbraw/zinc/37/43/20/768374320.db2.gz NMNJYZHTLPXFAV-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001151749283 769414331 /nfs/dbraw/zinc/41/43/31/769414331.db2.gz UJLBWLIOOMTVJZ-CQSZACIVSA-N 2 1 322.434 0.546 20 30 DCEDMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001151749283 769414333 /nfs/dbraw/zinc/41/43/33/769414333.db2.gz UJLBWLIOOMTVJZ-CQSZACIVSA-N 2 1 322.434 0.546 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1=O ZINC001152457406 769564615 /nfs/dbraw/zinc/56/46/15/769564615.db2.gz DEYGLUAZOXOZSA-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242047 769703900 /nfs/dbraw/zinc/70/39/00/769703900.db2.gz TZTAVAQTOZBGBM-OAHLLOKOSA-N 2 1 313.442 0.348 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCOC ZINC001178722647 770833997 /nfs/dbraw/zinc/83/39/97/770833997.db2.gz LNQXOSXIACWJHH-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCOC ZINC001178722647 770834008 /nfs/dbraw/zinc/83/40/08/770834008.db2.gz LNQXOSXIACWJHH-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179178943 770952493 /nfs/dbraw/zinc/95/24/93/770952493.db2.gz DZNHZNLBBPMSIY-GZOJWHRLSA-N 2 1 317.433 0.452 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183465032 771652862 /nfs/dbraw/zinc/65/28/62/771652862.db2.gz KLWCOPRMXPKVOH-JFIYKMOQSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183465032 771652865 /nfs/dbraw/zinc/65/28/65/771652865.db2.gz KLWCOPRMXPKVOH-JFIYKMOQSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159629102 771936434 /nfs/dbraw/zinc/93/64/34/771936434.db2.gz UGUSFONUPGOICO-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001159629102 771936437 /nfs/dbraw/zinc/93/64/37/771936437.db2.gz UGUSFONUPGOICO-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159629102 771936440 /nfs/dbraw/zinc/93/64/40/771936440.db2.gz UGUSFONUPGOICO-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001160191519 772005951 /nfs/dbraw/zinc/00/59/51/772005951.db2.gz GEOCCOCBSLHSRT-AWEZNQCLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001160191519 772005956 /nfs/dbraw/zinc/00/59/56/772005956.db2.gz GEOCCOCBSLHSRT-AWEZNQCLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)no1 ZINC001160192140 772007112 /nfs/dbraw/zinc/00/71/12/772007112.db2.gz YKMCYADBUKQPQJ-HNNXBMFYSA-N 2 1 304.394 0.677 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)no1 ZINC001160192140 772007117 /nfs/dbraw/zinc/00/71/17/772007117.db2.gz YKMCYADBUKQPQJ-HNNXBMFYSA-N 2 1 304.394 0.677 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)ncn1 ZINC001160209226 772009588 /nfs/dbraw/zinc/00/95/88/772009588.db2.gz DYSAXBXVQCJOGF-INIZCTEOSA-N 2 1 315.421 0.479 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)ncn1 ZINC001160209226 772009596 /nfs/dbraw/zinc/00/95/96/772009596.db2.gz DYSAXBXVQCJOGF-INIZCTEOSA-N 2 1 315.421 0.479 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC(C)C ZINC001160209539 772009798 /nfs/dbraw/zinc/00/97/98/772009798.db2.gz PMWRZWPDMAHAOM-INIZCTEOSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC(C)C ZINC001160209539 772009802 /nfs/dbraw/zinc/00/98/02/772009802.db2.gz PMWRZWPDMAHAOM-INIZCTEOSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675351 772662779 /nfs/dbraw/zinc/66/27/79/772662779.db2.gz KYBIFMBABABERC-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675351 772662781 /nfs/dbraw/zinc/66/27/81/772662781.db2.gz KYBIFMBABABERC-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675351 772662783 /nfs/dbraw/zinc/66/27/83/772662783.db2.gz KYBIFMBABABERC-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675351 772662785 /nfs/dbraw/zinc/66/27/85/772662785.db2.gz KYBIFMBABABERC-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378702 772911734 /nfs/dbraw/zinc/91/17/34/772911734.db2.gz XESZDAGYFBZXFW-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192378702 772911738 /nfs/dbraw/zinc/91/17/38/772911738.db2.gz XESZDAGYFBZXFW-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192378702 772911740 /nfs/dbraw/zinc/91/17/40/772911740.db2.gz XESZDAGYFBZXFW-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001192788896 772959009 /nfs/dbraw/zinc/95/90/09/772959009.db2.gz QGEXPUJVYQXXHG-MRXNPFEDSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001205345567 772988425 /nfs/dbraw/zinc/98/84/25/772988425.db2.gz RCGMWXHFHVQMAF-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193893024 773125833 /nfs/dbraw/zinc/12/58/33/773125833.db2.gz XGXJJBYKGVJLOW-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706164 773277674 /nfs/dbraw/zinc/27/76/74/773277674.db2.gz QQCVUJYJZJOUSD-HUUCEWRRSA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070276 773394453 /nfs/dbraw/zinc/39/44/53/773394453.db2.gz ICYFLERAMPUBNM-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOCC=C)C1 ZINC001208355730 773441545 /nfs/dbraw/zinc/44/15/45/773441545.db2.gz GZDSUBUFXWUTAY-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOCC=C)C1 ZINC001208355730 773441548 /nfs/dbraw/zinc/44/15/48/773441548.db2.gz GZDSUBUFXWUTAY-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210782897 773736100 /nfs/dbraw/zinc/73/61/00/773736100.db2.gz PQCSQUJWABHBTL-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001210789060 773739159 /nfs/dbraw/zinc/73/91/59/773739159.db2.gz MHZBWVWHYGFMJC-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001198672318 773962914 /nfs/dbraw/zinc/96/29/14/773962914.db2.gz MPUGVVDMLZTJQR-NWANDNLSSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672318 773962922 /nfs/dbraw/zinc/96/29/22/773962922.db2.gz MPUGVVDMLZTJQR-NWANDNLSSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672318 773962928 /nfs/dbraw/zinc/96/29/28/773962928.db2.gz MPUGVVDMLZTJQR-NWANDNLSSA-N 2 1 306.410 0.708 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001214780290 774013898 /nfs/dbraw/zinc/01/38/98/774013898.db2.gz TYLKGYOZEYAVJB-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199095830 774029044 /nfs/dbraw/zinc/02/90/44/774029044.db2.gz LQIJIHCWMIKBQQ-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199095830 774029052 /nfs/dbraw/zinc/02/90/52/774029052.db2.gz LQIJIHCWMIKBQQ-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001201038385 774443501 /nfs/dbraw/zinc/44/35/01/774443501.db2.gz YNCVGBIYFAOSAS-MRXNPFEDSA-N 2 1 319.453 0.970 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864020 774560413 /nfs/dbraw/zinc/56/04/13/774560413.db2.gz RXDDUWBOHAOPFN-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060219 774596560 /nfs/dbraw/zinc/59/65/60/774596560.db2.gz VLZMOBXXMKPFEW-ZIAGYGMSSA-N 2 1 315.845 0.898 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922882 774646546 /nfs/dbraw/zinc/64/65/46/774646546.db2.gz MMKHICKHRCKYEU-CVEARBPZSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922882 774646550 /nfs/dbraw/zinc/64/65/50/774646550.db2.gz MMKHICKHRCKYEU-CVEARBPZSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922882 774646554 /nfs/dbraw/zinc/64/65/54/774646554.db2.gz MMKHICKHRCKYEU-CVEARBPZSA-N 2 1 321.465 0.824 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073692 774688164 /nfs/dbraw/zinc/68/81/64/774688164.db2.gz IERKJQIWFFJPFK-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073692 774688167 /nfs/dbraw/zinc/68/81/67/774688167.db2.gz IERKJQIWFFJPFK-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073692 774688172 /nfs/dbraw/zinc/68/81/72/774688172.db2.gz IERKJQIWFFJPFK-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073692 774688178 /nfs/dbraw/zinc/68/81/78/774688178.db2.gz IERKJQIWFFJPFK-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409468 774846610 /nfs/dbraw/zinc/84/66/10/774846610.db2.gz LPENZRHVCHKNMZ-JJXSEGSLSA-N 2 1 307.438 0.576 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCCOC)C[C@H]21 ZINC001114421594 774854348 /nfs/dbraw/zinc/85/43/48/774854348.db2.gz QQHITOAGSJUMJY-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCOC)C[C@H]21 ZINC001114421594 774854354 /nfs/dbraw/zinc/85/43/54/774854354.db2.gz QQHITOAGSJUMJY-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCCOC)C[C@H]21 ZINC001114421594 774854361 /nfs/dbraw/zinc/85/43/61/774854361.db2.gz QQHITOAGSJUMJY-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCCOC)C[C@H]21 ZINC001114421594 774854368 /nfs/dbraw/zinc/85/43/68/774854368.db2.gz QQHITOAGSJUMJY-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771428 774911436 /nfs/dbraw/zinc/91/14/36/774911436.db2.gz SLVNZOUIEWCHNA-CVEARBPZSA-N 2 1 321.465 0.990 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154305 775010159 /nfs/dbraw/zinc/01/01/59/775010159.db2.gz KWVZIBCBCKIBEJ-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001223611548 775505392 /nfs/dbraw/zinc/50/53/92/775505392.db2.gz SJVQNPOFDZOUEX-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001224536215 775579357 /nfs/dbraw/zinc/57/93/57/775579357.db2.gz JVRRFSZKDZYUMU-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406803 775845772 /nfs/dbraw/zinc/84/57/72/775845772.db2.gz AOFNAPOFXZWSAI-FPCVCCKLSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406803 775845781 /nfs/dbraw/zinc/84/57/81/775845781.db2.gz AOFNAPOFXZWSAI-FPCVCCKLSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111406803 775845788 /nfs/dbraw/zinc/84/57/88/775845788.db2.gz AOFNAPOFXZWSAI-FPCVCCKLSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111406803 775845795 /nfs/dbraw/zinc/84/57/95/775845795.db2.gz AOFNAPOFXZWSAI-FPCVCCKLSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114521421 775896519 /nfs/dbraw/zinc/89/65/19/775896519.db2.gz PPDOFYJCKOEUAO-FVQHAEBGSA-N 2 1 324.384 0.644 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001041764316 777479561 /nfs/dbraw/zinc/47/95/61/777479561.db2.gz YEFORYIADALYIH-GOSISDBHSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317861137 945208637 /nfs/dbraw/zinc/20/86/37/945208637.db2.gz MRCYTUACPHFVEC-HUUCEWRRSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317861137 945208642 /nfs/dbraw/zinc/20/86/42/945208642.db2.gz MRCYTUACPHFVEC-HUUCEWRRSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317861137 945208648 /nfs/dbraw/zinc/20/86/48/945208648.db2.gz MRCYTUACPHFVEC-HUUCEWRRSA-N 2 1 322.453 0.021 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266532883 939154220 /nfs/dbraw/zinc/15/42/20/939154220.db2.gz AZXCZBVLMGRGIM-HZPDHXFCSA-N 2 1 309.454 0.661 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001267384598 939444031 /nfs/dbraw/zinc/44/40/31/939444031.db2.gz YIVBASOJIZNWCO-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCOCC)C1 ZINC001267535927 939494482 /nfs/dbraw/zinc/49/44/82/939494482.db2.gz IGYQCVCMIMMLLA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCOCC)C1 ZINC001267535927 939494484 /nfs/dbraw/zinc/49/44/84/939494484.db2.gz IGYQCVCMIMMLLA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCOCC)C1 ZINC001267535927 939494485 /nfs/dbraw/zinc/49/44/85/939494485.db2.gz IGYQCVCMIMMLLA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCOCC)C1 ZINC001267535927 939494487 /nfs/dbraw/zinc/49/44/87/939494487.db2.gz IGYQCVCMIMMLLA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC#CCOC)CC[N@H+]1C ZINC001481039259 939536417 /nfs/dbraw/zinc/53/64/17/939536417.db2.gz KWZLAIYPFCDOST-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC#CCOC)CC[NH+]1C ZINC001481039259 939536419 /nfs/dbraw/zinc/53/64/19/939536419.db2.gz KWZLAIYPFCDOST-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC#CCOC)CC[NH+]1C ZINC001481039259 939536420 /nfs/dbraw/zinc/53/64/20/939536420.db2.gz KWZLAIYPFCDOST-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481492425 939900968 /nfs/dbraw/zinc/90/09/68/939900968.db2.gz VDSCAMBVCJXHRT-ZDUSSCGKSA-N 2 1 304.394 0.763 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481492425 939900969 /nfs/dbraw/zinc/90/09/69/939900969.db2.gz VDSCAMBVCJXHRT-ZDUSSCGKSA-N 2 1 304.394 0.763 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001481508057 939906850 /nfs/dbraw/zinc/90/68/50/939906850.db2.gz HRQOXZNDYNRYRF-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001481508057 939906855 /nfs/dbraw/zinc/90/68/55/939906855.db2.gz HRQOXZNDYNRYRF-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001481508057 939906857 /nfs/dbraw/zinc/90/68/57/939906857.db2.gz HRQOXZNDYNRYRF-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001481508057 939906861 /nfs/dbraw/zinc/90/68/61/939906861.db2.gz HRQOXZNDYNRYRF-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1cnccn1 ZINC001268648496 940318050 /nfs/dbraw/zinc/31/80/50/940318050.db2.gz KSIMYQYRSLMQDL-FMKPAKJESA-N 2 1 315.421 0.730 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1cnccn1 ZINC001268648496 940318056 /nfs/dbraw/zinc/31/80/56/940318056.db2.gz KSIMYQYRSLMQDL-FMKPAKJESA-N 2 1 315.421 0.730 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2cnon2)CC1 ZINC001269516769 940723263 /nfs/dbraw/zinc/72/32/63/940723263.db2.gz QSWAGJJLPGOPAG-AWEZNQCLSA-N 2 1 319.409 0.399 20 30 DCEDMP C#CCNC(=O)C[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001269592633 940738246 /nfs/dbraw/zinc/73/82/46/940738246.db2.gz WWWYVMKGZGVYTK-UHFFFAOYSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001270331545 940881918 /nfs/dbraw/zinc/88/19/18/940881918.db2.gz HYMXBYCTEUEMOJ-RDJZCZTQSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270345632 940884935 /nfs/dbraw/zinc/88/49/35/940884935.db2.gz ISWNXAOFHZBHNZ-JKSUJKDBSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001270520484 940915994 /nfs/dbraw/zinc/91/59/94/940915994.db2.gz MTKIIHZYGMVUJD-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001482404519 941211403 /nfs/dbraw/zinc/21/14/03/941211403.db2.gz OSDUCXZFMXHIGS-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001482404519 941211404 /nfs/dbraw/zinc/21/14/04/941211404.db2.gz OSDUCXZFMXHIGS-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601782 942088410 /nfs/dbraw/zinc/08/84/10/942088410.db2.gz MZXWBKJATFFNBW-CABCVRRESA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607471 942137089 /nfs/dbraw/zinc/13/70/89/942137089.db2.gz ZSUCRHLNGTVCTP-CABCVRRESA-N 2 1 300.362 0.685 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001483349847 942289382 /nfs/dbraw/zinc/28/93/82/942289382.db2.gz KAIBMAHBUUULTL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001483349847 942289384 /nfs/dbraw/zinc/28/93/84/942289384.db2.gz KAIBMAHBUUULTL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483349847 942289386 /nfs/dbraw/zinc/28/93/86/942289386.db2.gz KAIBMAHBUUULTL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001483349847 942289390 /nfs/dbraw/zinc/28/93/90/942289390.db2.gz KAIBMAHBUUULTL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCOC)C1 ZINC001272466438 942768754 /nfs/dbraw/zinc/76/87/54/942768754.db2.gz RGZQUPLHMRQRRF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCOC)C1 ZINC001272466438 942768757 /nfs/dbraw/zinc/76/87/57/942768757.db2.gz RGZQUPLHMRQRRF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCOC)C1 ZINC001272466439 942769786 /nfs/dbraw/zinc/76/97/86/942769786.db2.gz RGZQUPLHMRQRRF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCOC)C1 ZINC001272466439 942769790 /nfs/dbraw/zinc/76/97/90/942769790.db2.gz RGZQUPLHMRQRRF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001484854732 943602263 /nfs/dbraw/zinc/60/22/63/943602263.db2.gz WSEYAKXKHVIPHK-INIZCTEOSA-N 2 1 304.394 0.158 20 30 DCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001484961018 943633223 /nfs/dbraw/zinc/63/32/23/943633223.db2.gz OSHPENLMDONAGG-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001484955314 943637141 /nfs/dbraw/zinc/63/71/41/943637141.db2.gz YVDCKEOVXPGQPS-LSDHHAIUSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484958193 943637671 /nfs/dbraw/zinc/63/76/71/943637671.db2.gz KEIFKYDIWUDAKN-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001485346811 943860443 /nfs/dbraw/zinc/86/04/43/943860443.db2.gz XWNXTWFSZYAWEZ-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCC[C@H](C)N1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001485400378 943920143 /nfs/dbraw/zinc/92/01/43/943920143.db2.gz DVCCJODLJJVROO-GJZGRUSLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001485400378 943920150 /nfs/dbraw/zinc/92/01/50/943920150.db2.gz DVCCJODLJJVROO-GJZGRUSLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)C1=O ZINC001485524466 943984893 /nfs/dbraw/zinc/98/48/93/943984893.db2.gz YYNLLUYZBVWWLY-HIFRSBDPSA-N 2 1 322.453 0.162 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001276777568 944294998 /nfs/dbraw/zinc/29/49/98/944294998.db2.gz DREYXWSFFLPYDE-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001486021735 944482503 /nfs/dbraw/zinc/48/25/03/944482503.db2.gz ZFXUJWDTBYWVKP-HNNXBMFYSA-N 2 1 309.454 0.731 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001486302534 944747474 /nfs/dbraw/zinc/74/74/74/944747474.db2.gz DUHIRXXXZMOQEJ-AWEZNQCLSA-N 2 1 306.410 0.439 20 30 DCEDMP C#CC[N@@H+](CCOC)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001277405505 944809901 /nfs/dbraw/zinc/80/99/01/944809901.db2.gz WDOVPXRZIMAALG-UHFFFAOYSA-N 2 1 318.421 0.764 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001277405505 944809910 /nfs/dbraw/zinc/80/99/10/944809910.db2.gz WDOVPXRZIMAALG-UHFFFAOYSA-N 2 1 318.421 0.764 20 30 DCEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001486358461 944817688 /nfs/dbraw/zinc/81/76/88/944817688.db2.gz CHCOOLWSVYQFRV-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001486358461 944817694 /nfs/dbraw/zinc/81/76/94/944817694.db2.gz CHCOOLWSVYQFRV-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001486358461 944817700 /nfs/dbraw/zinc/81/77/00/944817700.db2.gz CHCOOLWSVYQFRV-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001486358461 944817704 /nfs/dbraw/zinc/81/77/04/944817704.db2.gz CHCOOLWSVYQFRV-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001317382730 944948019 /nfs/dbraw/zinc/94/80/19/944948019.db2.gz GWTZMCSGWDCVJQ-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001318492188 945386076 /nfs/dbraw/zinc/38/60/76/945386076.db2.gz OJOSPIJANOYTDG-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001318492188 945386079 /nfs/dbraw/zinc/38/60/79/945386079.db2.gz OJOSPIJANOYTDG-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC#CCOC ZINC001318529387 945394506 /nfs/dbraw/zinc/39/45/06/945394506.db2.gz KZAWOHZRUOAUFU-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246691332 945462903 /nfs/dbraw/zinc/46/29/03/945462903.db2.gz FIPWNAZLCOPLEK-SFHVURJKSA-N 2 1 320.481 0.922 20 30 DCEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246768494 945487067 /nfs/dbraw/zinc/48/70/67/945487067.db2.gz OSUACTBFHNRBGY-XYJFISCASA-N 2 1 321.465 0.907 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001319707998 945650944 /nfs/dbraw/zinc/65/09/44/945650944.db2.gz JTGVUMITGAQCMH-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C[C@@](C)(O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252546774 945957566 /nfs/dbraw/zinc/95/75/66/945957566.db2.gz AUGGAJSLVYMETO-GOSISDBHSA-N 2 1 319.449 0.748 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001273261987 946343144 /nfs/dbraw/zinc/34/31/44/946343144.db2.gz ZXLKWPIXRSIUKP-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001278798610 946415056 /nfs/dbraw/zinc/41/50/56/946415056.db2.gz QORHNXYHPQDBQY-GDBMZVCRSA-N 2 1 320.437 0.739 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001273277667 946415284 /nfs/dbraw/zinc/41/52/84/946415284.db2.gz WWFNXVZRNMEZKL-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001322260417 946630174 /nfs/dbraw/zinc/63/01/74/946630174.db2.gz ABTUYLBZGITBHV-AWEZNQCLSA-N 2 1 305.426 0.518 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001323092520 946931206 /nfs/dbraw/zinc/93/12/06/946931206.db2.gz ZTMQFKMKMZTFLJ-MRXNPFEDSA-N 2 1 309.373 0.999 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001323092518 946931752 /nfs/dbraw/zinc/93/17/52/946931752.db2.gz ZTMQFKMKMZTFLJ-INIZCTEOSA-N 2 1 309.373 0.999 20 30 DCEDMP C=CCNC(=O)[C@@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001262025466 947535371 /nfs/dbraw/zinc/53/53/71/947535371.db2.gz KSFZLVPNMMUAIR-GFCCVEGCSA-N 2 1 306.414 0.107 20 30 DCEDMP C=C(CC)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001325660285 947870586 /nfs/dbraw/zinc/87/05/86/947870586.db2.gz WLEQOHMKPKKVFE-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=C(CC)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001325660285 947870589 /nfs/dbraw/zinc/87/05/89/947870589.db2.gz WLEQOHMKPKKVFE-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001325861745 947955635 /nfs/dbraw/zinc/95/56/35/947955635.db2.gz VBEYCQMWHJIZGE-GOEBONIOSA-N 2 1 306.410 0.963 20 30 DCEDMP C=CCN1CCC[C@@](CO)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001325861745 947955637 /nfs/dbraw/zinc/95/56/37/947955637.db2.gz VBEYCQMWHJIZGE-GOEBONIOSA-N 2 1 306.410 0.963 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325864787 947958112 /nfs/dbraw/zinc/95/81/12/947958112.db2.gz IGKSESXTXJKCCO-SFHVURJKSA-N 2 1 321.465 0.992 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCO1 ZINC001327078134 948388657 /nfs/dbraw/zinc/38/86/57/948388657.db2.gz CEJMQXMWQOXBAW-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001327576406 948558167 /nfs/dbraw/zinc/55/81/67/948558167.db2.gz GBVNAHPKPDKRLM-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001327607555 948569772 /nfs/dbraw/zinc/56/97/72/948569772.db2.gz ORWYTSSJLSPAQD-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001493129322 948610941 /nfs/dbraw/zinc/61/09/41/948610941.db2.gz AJBRRQKBNRQWII-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001273864527 948640212 /nfs/dbraw/zinc/64/02/12/948640212.db2.gz XVYCSFLVPOUOCK-RHSMWYFYSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264080700 948875629 /nfs/dbraw/zinc/87/56/29/948875629.db2.gz UKMBIAVURWLWMJ-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001264106305 948885144 /nfs/dbraw/zinc/88/51/44/948885144.db2.gz WPRRCLCODCWZOC-QGZVFWFLSA-N 2 1 321.465 0.758 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC#CCOC)CC[C@@H]2C1 ZINC001264655683 949050672 /nfs/dbraw/zinc/05/06/72/949050672.db2.gz JWHOZPOYYYPYJI-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)CC[C@@H]2C1 ZINC001264655683 949050688 /nfs/dbraw/zinc/05/06/88/949050688.db2.gz JWHOZPOYYYPYJI-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC#CCOC)CC[C@@H]2C1 ZINC001264655683 949050708 /nfs/dbraw/zinc/05/07/08/949050708.db2.gz JWHOZPOYYYPYJI-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001264658387 949053210 /nfs/dbraw/zinc/05/32/10/949053210.db2.gz KBCAYLPHSPMTEH-SJORKVTESA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001264658387 949053229 /nfs/dbraw/zinc/05/32/29/949053229.db2.gz KBCAYLPHSPMTEH-SJORKVTESA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001264658387 949053242 /nfs/dbraw/zinc/05/32/42/949053242.db2.gz KBCAYLPHSPMTEH-SJORKVTESA-N 2 1 321.465 0.757 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001264666114 949059403 /nfs/dbraw/zinc/05/94/03/949059403.db2.gz DXVXVLCAVJLLFV-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001264666114 949059422 /nfs/dbraw/zinc/05/94/22/949059422.db2.gz DXVXVLCAVJLLFV-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001264666114 949059442 /nfs/dbraw/zinc/05/94/42/949059442.db2.gz DXVXVLCAVJLLFV-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001489097687 949482311 /nfs/dbraw/zinc/48/23/11/949482311.db2.gz GRPGYOFUCZZDAU-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001489097687 949482330 /nfs/dbraw/zinc/48/23/30/949482330.db2.gz GRPGYOFUCZZDAU-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)C1=O ZINC001489288545 949665587 /nfs/dbraw/zinc/66/55/87/949665587.db2.gz HEOKSTVSRHESDR-QLFBSQMISA-N 2 1 322.453 0.304 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001265543777 949755432 /nfs/dbraw/zinc/75/54/32/949755432.db2.gz QLXQCFKTYXIPLC-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265874503 950073163 /nfs/dbraw/zinc/07/31/63/950073163.db2.gz FVBMKIOHHXVBOI-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001265874503 950073181 /nfs/dbraw/zinc/07/31/81/950073181.db2.gz FVBMKIOHHXVBOI-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001265874503 950073200 /nfs/dbraw/zinc/07/32/00/950073200.db2.gz FVBMKIOHHXVBOI-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@H+](C[C@@H](O)C1CC1)C1CCN(C[C@@H](O)C2CC2)CC1 ZINC001330708614 950602119 /nfs/dbraw/zinc/60/21/19/950602119.db2.gz RKVIWUFPESHROE-QZTJIDSGSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@@H+](C[C@@H](O)C1CC1)C1CCN(C[C@@H](O)C2CC2)CC1 ZINC001330708614 950602126 /nfs/dbraw/zinc/60/21/26/950602126.db2.gz RKVIWUFPESHROE-QZTJIDSGSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@@H+](C[C@@H](O)C1CC1)C1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC001330708614 950602136 /nfs/dbraw/zinc/60/21/36/950602136.db2.gz RKVIWUFPESHROE-QZTJIDSGSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@H+](C[C@@H](O)C1CC1)C1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC001330708614 950602147 /nfs/dbraw/zinc/60/21/47/950602147.db2.gz RKVIWUFPESHROE-QZTJIDSGSA-N 2 1 306.450 0.928 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001331629466 951206603 /nfs/dbraw/zinc/20/66/03/951206603.db2.gz CGOGZPNHYPWSFQ-OLZOCXBDSA-N 2 1 321.425 0.319 20 30 DCEDMP C#CCN1C[C@]2(CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001274269775 951526503 /nfs/dbraw/zinc/52/65/03/951526503.db2.gz NKJXZLBDSYGAEL-GOSISDBHSA-N 2 1 324.384 0.999 20 30 DCEDMP C#CCN1C[C@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001274269775 951526511 /nfs/dbraw/zinc/52/65/11/951526511.db2.gz NKJXZLBDSYGAEL-GOSISDBHSA-N 2 1 324.384 0.999 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001274589638 951720882 /nfs/dbraw/zinc/72/08/82/951720882.db2.gz RSQWZKHPDSKZAO-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@]12CCN(CCn1ccnc1)C2=O ZINC001274617341 951745412 /nfs/dbraw/zinc/74/54/12/951745412.db2.gz XKINGXLYOFBQJR-DLBZAZTESA-N 2 1 318.421 0.887 20 30 DCEDMP COCC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001332986004 951874111 /nfs/dbraw/zinc/87/41/11/951874111.db2.gz XAGIYCLEVPPBBD-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC#CCOC ZINC001275160811 951977374 /nfs/dbraw/zinc/97/73/74/951977374.db2.gz ROQSCCANHLVNHU-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC#CCOC ZINC001275160811 951977377 /nfs/dbraw/zinc/97/73/77/951977377.db2.gz ROQSCCANHLVNHU-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC#CCOC ZINC001275160811 951977385 /nfs/dbraw/zinc/97/73/85/951977385.db2.gz ROQSCCANHLVNHU-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001275273347 952040810 /nfs/dbraw/zinc/04/08/10/952040810.db2.gz BXRXKIPUXIAKKR-ZNMIVQPWSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001490840338 953095500 /nfs/dbraw/zinc/09/55/00/953095500.db2.gz SDJXJXCVUTVOKY-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001341587002 953238441 /nfs/dbraw/zinc/23/84/41/953238441.db2.gz SELJAAMMNNGMSF-UHFFFAOYSA-N 2 1 316.361 0.317 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CCO)CC1 ZINC001281969318 953435197 /nfs/dbraw/zinc/43/51/97/953435197.db2.gz UICGAKHSSROWCA-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2C#N)C1 ZINC001367626858 958216356 /nfs/dbraw/zinc/21/63/56/958216356.db2.gz QNWGYGNIYBFCND-HOTGVXAUSA-N 2 1 316.405 0.077 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001491675573 959118199 /nfs/dbraw/zinc/11/81/99/959118199.db2.gz VDHYKYPPSMURKW-OCCSQVGLSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001491815873 959257259 /nfs/dbraw/zinc/25/72/59/959257259.db2.gz IIEVOOXKVALHTA-CYBMUJFWSA-N 2 1 304.394 0.811 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001311395749 960251680 /nfs/dbraw/zinc/25/16/80/960251680.db2.gz VWHGYXDJNSPRCJ-UHFFFAOYSA-N 2 1 314.433 0.909 20 30 DCEDMP C=C(Cl)CN(C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001449246297 1014346898 /nfs/dbraw/zinc/34/68/98/1014346898.db2.gz PVSHLRAMTPEFAN-ZDUSSCGKSA-N 2 1 314.817 0.695 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445271423 1011600360 /nfs/dbraw/zinc/60/03/60/1011600360.db2.gz RBUCIGVGPCFLAV-INIZCTEOSA-N 2 1 318.421 0.465 20 30 DCEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548703921 1013003060 /nfs/dbraw/zinc/00/30/60/1013003060.db2.gz WIWUVLAQPVPNJN-GOEBONIOSA-N 2 1 306.454 0.531 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001506665642 1017451035 /nfs/dbraw/zinc/45/10/35/1017451035.db2.gz NNDJLCXCGIPQTC-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001499997954 1018165969 /nfs/dbraw/zinc/16/59/69/1018165969.db2.gz YHTUXDUAWASHBP-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001500057219 1018193702 /nfs/dbraw/zinc/19/37/02/1018193702.db2.gz DNTKYGFFKCXQKT-HNNXBMFYSA-N 2 1 309.454 0.634 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001480290194 1018404473 /nfs/dbraw/zinc/40/44/73/1018404473.db2.gz OKHWTRBBAAHGDR-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001495233846 1018413363 /nfs/dbraw/zinc/41/33/63/1018413363.db2.gz MZYJPLDMFMCFDF-DOTOQJQBSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001495728672 1018672423 /nfs/dbraw/zinc/67/24/23/1018672423.db2.gz CODXBTJMCOEAMX-PMPSAXMXSA-N 2 1 309.454 0.708 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480674279 1018766166 /nfs/dbraw/zinc/76/61/66/1018766166.db2.gz MYGABGKDPPDAHT-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480721294 1018811098 /nfs/dbraw/zinc/81/10/98/1018811098.db2.gz IQXNMTHLMWYKNX-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480721294 1018811117 /nfs/dbraw/zinc/81/11/17/1018811117.db2.gz IQXNMTHLMWYKNX-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480721294 1018811133 /nfs/dbraw/zinc/81/11/33/1018811133.db2.gz IQXNMTHLMWYKNX-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480721294 1018811153 /nfs/dbraw/zinc/81/11/53/1018811153.db2.gz IQXNMTHLMWYKNX-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001501307531 1019032366 /nfs/dbraw/zinc/03/23/66/1019032366.db2.gz JSRVDNVGALNPAJ-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001501307531 1019032382 /nfs/dbraw/zinc/03/23/82/1019032382.db2.gz JSRVDNVGALNPAJ-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001501307531 1019032397 /nfs/dbraw/zinc/03/23/97/1019032397.db2.gz JSRVDNVGALNPAJ-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001501307531 1019032413 /nfs/dbraw/zinc/03/24/13/1019032413.db2.gz JSRVDNVGALNPAJ-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001493212021 1019206947 /nfs/dbraw/zinc/20/69/47/1019206947.db2.gz USMCZDHITSUFJL-IRXDYDNUSA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001493212021 1019206953 /nfs/dbraw/zinc/20/69/53/1019206953.db2.gz USMCZDHITSUFJL-IRXDYDNUSA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001493212021 1019206960 /nfs/dbraw/zinc/20/69/60/1019206960.db2.gz USMCZDHITSUFJL-IRXDYDNUSA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001493212021 1019206969 /nfs/dbraw/zinc/20/69/69/1019206969.db2.gz USMCZDHITSUFJL-IRXDYDNUSA-N 2 1 317.433 0.172 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001494060445 1019952377 /nfs/dbraw/zinc/95/23/77/1019952377.db2.gz HANNTEIPSDRQEE-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001494060445 1019952398 /nfs/dbraw/zinc/95/23/98/1019952398.db2.gz HANNTEIPSDRQEE-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001663547295 1174319024 /nfs/dbraw/zinc/31/90/24/1174319024.db2.gz CWGICIMZYDJWST-AWEZNQCLSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001663547295 1174319027 /nfs/dbraw/zinc/31/90/27/1174319027.db2.gz CWGICIMZYDJWST-AWEZNQCLSA-N 2 1 310.442 0.209 20 30 DCEDMP CNC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264136271 530039365 /nfs/dbraw/zinc/03/93/65/530039365.db2.gz ZSQRPYPQEYLGAY-UHFFFAOYSA-N 2 1 319.409 0.382 20 30 DCEDMP CN(C)C(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000178567277 237229944 /nfs/dbraw/zinc/22/99/44/237229944.db2.gz WSZRPOKEVZSDEN-HNNXBMFYSA-N 2 1 317.437 0.760 20 30 DCEDMP CCc1nn(C)c(OC)c1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000092854345 395733564 /nfs/dbraw/zinc/73/35/64/395733564.db2.gz YKTSXPZRRCGJGZ-GFCCVEGCSA-N 2 1 322.457 0.880 20 30 DCEDMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1C#N ZINC000261604365 396048896 /nfs/dbraw/zinc/04/88/96/396048896.db2.gz ADFFKYJNMZESCK-OAHLLOKOSA-N 2 1 316.405 0.854 20 30 DCEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000598721454 397284741 /nfs/dbraw/zinc/28/47/41/397284741.db2.gz VMTONIIXBWFBQL-ZIAGYGMSSA-N 2 1 310.442 0.464 20 30 DCEDMP C=C(CNC(=O)C[NH+](C)C(C)C)CNC(=O)C[N@H+](C)C(C)C ZINC000620747858 397300320 /nfs/dbraw/zinc/30/03/20/397300320.db2.gz HPBFDQXCJCYTLA-UHFFFAOYSA-N 2 1 312.458 0.455 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000491041312 397500276 /nfs/dbraw/zinc/50/02/76/397500276.db2.gz YMMXDDHDDUDMOC-GJZGRUSLSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000491041312 397500277 /nfs/dbraw/zinc/50/02/77/397500277.db2.gz YMMXDDHDDUDMOC-GJZGRUSLSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000491041304 397500421 /nfs/dbraw/zinc/50/04/21/397500421.db2.gz YMMXDDHDDUDMOC-CABCVRRESA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000491041304 397500424 /nfs/dbraw/zinc/50/04/24/397500424.db2.gz YMMXDDHDDUDMOC-CABCVRRESA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000491407582 416598131 /nfs/dbraw/zinc/59/81/31/416598131.db2.gz RTKMPOIRTPVQIH-CYBMUJFWSA-N 2 1 316.405 0.716 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000490650116 416570780 /nfs/dbraw/zinc/57/07/80/416570780.db2.gz KMDGLAJZAYXNRU-UHFFFAOYSA-N 2 1 320.481 0.428 20 30 DCEDMP CCOCC[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1CC ZINC000424142118 416615665 /nfs/dbraw/zinc/61/56/65/416615665.db2.gz HXDXLGXPIUUDDS-HUUCEWRRSA-N 2 1 310.442 0.967 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652349560 417887904 /nfs/dbraw/zinc/88/79/04/417887904.db2.gz SNMPVNRBVGYLMF-VGWMRTNUSA-N 2 1 307.438 0.992 20 30 DCEDMP C[C@@]12COC[C@@H]1C[NH+](CC#CC[N@@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702903 418357271 /nfs/dbraw/zinc/35/72/71/418357271.db2.gz IJBPAPKIXQSATJ-XLAORIBOSA-N 2 1 304.434 0.926 20 30 DCEDMP C[C@@]12COC[C@@H]1C[N@@H+](CC#CC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702903 418357273 /nfs/dbraw/zinc/35/72/73/418357273.db2.gz IJBPAPKIXQSATJ-XLAORIBOSA-N 2 1 304.434 0.926 20 30 DCEDMP C[C@@]12COC[C@@H]1C[N@H+](CC#CC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702903 418357275 /nfs/dbraw/zinc/35/72/75/418357275.db2.gz IJBPAPKIXQSATJ-XLAORIBOSA-N 2 1 304.434 0.926 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650852840 418329476 /nfs/dbraw/zinc/32/94/76/418329476.db2.gz STZBCXSFLQQPQX-MRXNPFEDSA-N 2 1 322.453 0.487 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650852840 418329478 /nfs/dbraw/zinc/32/94/78/418329478.db2.gz STZBCXSFLQQPQX-MRXNPFEDSA-N 2 1 322.453 0.487 20 30 DCEDMP C[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)N1CCOCC1 ZINC000329821407 336086165 /nfs/dbraw/zinc/08/61/65/336086165.db2.gz YNLSWVSUCDCWGT-NFAWXSAZSA-N 2 1 310.442 0.693 20 30 DCEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001566133147 1159969571 /nfs/dbraw/zinc/96/95/71/1159969571.db2.gz ZDUOHAYMQFAHJG-INIZCTEOSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001566133147 1159969574 /nfs/dbraw/zinc/96/95/74/1159969574.db2.gz ZDUOHAYMQFAHJG-INIZCTEOSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001566133147 1159969577 /nfs/dbraw/zinc/96/95/77/1159969577.db2.gz ZDUOHAYMQFAHJG-INIZCTEOSA-N 2 1 309.454 0.942 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCO)CC1 ZINC001567748923 1160470216 /nfs/dbraw/zinc/47/02/16/1160470216.db2.gz UEPSLDZAPMVEJY-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCO)CC1 ZINC001567748923 1160470219 /nfs/dbraw/zinc/47/02/19/1160470219.db2.gz UEPSLDZAPMVEJY-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCO)CC1 ZINC001567748923 1160470221 /nfs/dbraw/zinc/47/02/21/1160470221.db2.gz UEPSLDZAPMVEJY-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCO)CC1 ZINC001567748923 1160470223 /nfs/dbraw/zinc/47/02/23/1160470223.db2.gz UEPSLDZAPMVEJY-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[NH2+]C[C@](C)(NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001568029203 1160565880 /nfs/dbraw/zinc/56/58/80/1160565880.db2.gz NMFDWGVLELTWPA-KRWDZBQOSA-N 2 1 307.438 0.607 20 30 DCEDMP COc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264120086 534075632 /nfs/dbraw/zinc/07/56/32/534075632.db2.gz QWHPMHXSWCUNSX-UHFFFAOYSA-N 2 1 306.410 0.822 20 30 DCEDMP NC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264066351 534528986 /nfs/dbraw/zinc/52/89/86/534528986.db2.gz BJAWFESULPDJCL-UHFFFAOYSA-N 2 1 305.382 0.121 20 30 DCEDMP C[NH+]=C(NCC1(O)CCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261713967 526351879 /nfs/dbraw/zinc/35/18/79/526351879.db2.gz KFLIKKLLMBAPQL-AWEZNQCLSA-N 2 1 310.442 0.131 20 30 DCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H](COC)C1 ZINC000262808066 526378274 /nfs/dbraw/zinc/37/82/74/526378274.db2.gz SVNWTTKPKVYZDT-UKRRQHHQSA-N 2 1 314.499 0.967 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCOC)CC1 ZINC001676052077 1175416688 /nfs/dbraw/zinc/41/66/88/1175416688.db2.gz GFWYKHSGJYNEOW-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCN1CCCC2(CN(C(=O)CCc3cncn3C)C2)C1 ZINC000982135577 661297822 /nfs/dbraw/zinc/29/78/22/661297822.db2.gz LFNPLTRBYPQRPC-UHFFFAOYSA-N 2 1 300.406 0.910 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(C(C)=O)CC1 ZINC000178568287 661320387 /nfs/dbraw/zinc/32/03/87/661320387.db2.gz ASJYTXWLRCLTIR-OAHLLOKOSA-N 2 1 309.458 0.634 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036821 661093628 /nfs/dbraw/zinc/09/36/28/661093628.db2.gz IAACDTXKKKRTHO-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036821 661093631 /nfs/dbraw/zinc/09/36/31/661093631.db2.gz IAACDTXKKKRTHO-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036821 661093633 /nfs/dbraw/zinc/09/36/33/661093633.db2.gz IAACDTXKKKRTHO-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981209243 661103526 /nfs/dbraw/zinc/10/35/26/661103526.db2.gz FQLSJMFIVBWQBB-JKSUJKDBSA-N 2 1 305.422 0.407 20 30 DCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327605 661132995 /nfs/dbraw/zinc/13/29/95/661132995.db2.gz UGOSTDOTWJKVEX-MRXNPFEDSA-N 2 1 319.453 0.924 20 30 DCEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327605 661132997 /nfs/dbraw/zinc/13/29/97/661132997.db2.gz UGOSTDOTWJKVEX-MRXNPFEDSA-N 2 1 319.453 0.924 20 30 DCEDMP C#CCN1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552623 657764873 /nfs/dbraw/zinc/76/48/73/657764873.db2.gz QJXSGINPXVXPOY-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969403398 657812229 /nfs/dbraw/zinc/81/22/29/657812229.db2.gz HVBHDJMEGLDLJL-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673193 658223307 /nfs/dbraw/zinc/22/33/07/658223307.db2.gz DYQOLSUVWILBGZ-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673193 658223315 /nfs/dbraw/zinc/22/33/15/658223315.db2.gz DYQOLSUVWILBGZ-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673193 658223326 /nfs/dbraw/zinc/22/33/26/658223326.db2.gz DYQOLSUVWILBGZ-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972673193 658223329 /nfs/dbraw/zinc/22/33/29/658223329.db2.gz DYQOLSUVWILBGZ-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972673193 658223338 /nfs/dbraw/zinc/22/33/38/658223338.db2.gz DYQOLSUVWILBGZ-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972294839 658533468 /nfs/dbraw/zinc/53/34/68/658533468.db2.gz OBNDNVHPGWQQAD-NVXWUHKLSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972294839 658533474 /nfs/dbraw/zinc/53/34/74/658533474.db2.gz OBNDNVHPGWQQAD-NVXWUHKLSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972294839 658533480 /nfs/dbraw/zinc/53/34/80/658533480.db2.gz OBNDNVHPGWQQAD-NVXWUHKLSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972294839 658533483 /nfs/dbraw/zinc/53/34/83/658533483.db2.gz OBNDNVHPGWQQAD-NVXWUHKLSA-N 2 1 305.422 0.407 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555382 658799458 /nfs/dbraw/zinc/79/94/58/658799458.db2.gz DHUYVQINEUGMAX-AWEZNQCLSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705626 665619230 /nfs/dbraw/zinc/61/92/30/665619230.db2.gz CGJMBIDBPWWRLX-GJZGRUSLSA-N 2 1 305.422 0.406 20 30 DCEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486504 659461435 /nfs/dbraw/zinc/46/14/35/659461435.db2.gz DDGBPNDGOIAOAE-ZBFHGGJFSA-N 2 1 324.469 0.818 20 30 DCEDMP C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000974750057 659657625 /nfs/dbraw/zinc/65/76/25/659657625.db2.gz HXDGDBGIUCNYDB-UKRRQHHQSA-N 2 1 300.406 0.905 20 30 DCEDMP C=CCN1CC(CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001031876012 665723114 /nfs/dbraw/zinc/72/31/14/665723114.db2.gz IEZFKYBODUEGNF-INIZCTEOSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046864 665730083 /nfs/dbraw/zinc/73/00/83/665730083.db2.gz WREPQAYWMVUXGF-DZGCQCFKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046864 665730085 /nfs/dbraw/zinc/73/00/85/665730085.db2.gz WREPQAYWMVUXGF-DZGCQCFKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046864 665730086 /nfs/dbraw/zinc/73/00/86/665730086.db2.gz WREPQAYWMVUXGF-DZGCQCFKSA-N 2 1 318.425 0.279 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(C(C)=O)CC1 ZINC000178568299 661320318 /nfs/dbraw/zinc/32/03/18/661320318.db2.gz ASJYTXWLRCLTIR-HNNXBMFYSA-N 2 1 309.458 0.634 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001028641340 661714066 /nfs/dbraw/zinc/71/40/66/661714066.db2.gz DWUDHPLNYQLXTD-CABCVRRESA-N 2 1 300.406 0.907 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536640 665789147 /nfs/dbraw/zinc/78/91/47/665789147.db2.gz SBBMVSDRIXKJAE-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536640 665789149 /nfs/dbraw/zinc/78/91/49/665789149.db2.gz SBBMVSDRIXKJAE-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536640 665789151 /nfs/dbraw/zinc/78/91/51/665789151.db2.gz SBBMVSDRIXKJAE-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536640 665789153 /nfs/dbraw/zinc/78/91/53/665789153.db2.gz SBBMVSDRIXKJAE-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536640 665789155 /nfs/dbraw/zinc/78/91/55/665789155.db2.gz SBBMVSDRIXKJAE-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698173 661764689 /nfs/dbraw/zinc/76/46/89/661764689.db2.gz BRRSNNHESLTZJW-JBCIKUTRSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799559 661830691 /nfs/dbraw/zinc/83/06/91/661830691.db2.gz CSXOYGLWYGDXOA-CABCVRRESA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799559 661830692 /nfs/dbraw/zinc/83/06/92/661830692.db2.gz CSXOYGLWYGDXOA-CABCVRRESA-N 2 1 300.406 0.825 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859864 661854201 /nfs/dbraw/zinc/85/42/01/661854201.db2.gz JJHNSFXNUHDBJA-OAHLLOKOSA-N 2 1 317.437 0.520 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000896487797 662274465 /nfs/dbraw/zinc/27/44/65/662274465.db2.gz CZFQRNFYPDSVKL-XHSDSOJGSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000896487797 662274468 /nfs/dbraw/zinc/27/44/68/662274468.db2.gz CZFQRNFYPDSVKL-XHSDSOJGSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000896487797 662274472 /nfs/dbraw/zinc/27/44/72/662274472.db2.gz CZFQRNFYPDSVKL-XHSDSOJGSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000896487797 662274477 /nfs/dbraw/zinc/27/44/77/662274477.db2.gz CZFQRNFYPDSVKL-XHSDSOJGSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000985443814 662450773 /nfs/dbraw/zinc/45/07/73/662450773.db2.gz ZEBLTFRFEOCGCX-CVEARBPZSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000985443814 662450774 /nfs/dbraw/zinc/45/07/74/662450774.db2.gz ZEBLTFRFEOCGCX-CVEARBPZSA-N 2 1 305.422 0.406 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000897675082 662920208 /nfs/dbraw/zinc/92/02/08/662920208.db2.gz QLCXLISHHMWIKF-UHFFFAOYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000897675082 662920209 /nfs/dbraw/zinc/92/02/09/662920209.db2.gz QLCXLISHHMWIKF-UHFFFAOYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345269 665978324 /nfs/dbraw/zinc/97/83/24/665978324.db2.gz QJXPONVKEQYTDW-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001076309 665990528 /nfs/dbraw/zinc/99/05/28/665990528.db2.gz NBAPSPCMFROMDB-INIZCTEOSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076309 665990530 /nfs/dbraw/zinc/99/05/30/665990530.db2.gz NBAPSPCMFROMDB-INIZCTEOSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076309 665990532 /nfs/dbraw/zinc/99/05/32/665990532.db2.gz NBAPSPCMFROMDB-INIZCTEOSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993987172 665023200 /nfs/dbraw/zinc/02/32/00/665023200.db2.gz MALVSSURRLZVLG-GDBMZVCRSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993987172 665023201 /nfs/dbraw/zinc/02/32/01/665023201.db2.gz MALVSSURRLZVLG-GDBMZVCRSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCOCC2)C1 ZINC001031742317 665398557 /nfs/dbraw/zinc/39/85/57/665398557.db2.gz AHYXNOGTTRIJMA-KRWDZBQOSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCOCC2)C1 ZINC001031742317 665398558 /nfs/dbraw/zinc/39/85/58/665398558.db2.gz AHYXNOGTTRIJMA-KRWDZBQOSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000941437690 665998634 /nfs/dbraw/zinc/99/86/34/665998634.db2.gz BOIVKYLUUPXCAE-UHFFFAOYSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567022 666023698 /nfs/dbraw/zinc/02/36/98/666023698.db2.gz OSRCJRDMQPHGLY-INIZCTEOSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567022 666023700 /nfs/dbraw/zinc/02/37/00/666023700.db2.gz OSRCJRDMQPHGLY-INIZCTEOSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033142090 666559462 /nfs/dbraw/zinc/55/94/62/666559462.db2.gz PYKGXVNQXQSILU-IRXDYDNUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033142090 666559465 /nfs/dbraw/zinc/55/94/65/666559465.db2.gz PYKGXVNQXQSILU-IRXDYDNUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033142090 666559466 /nfs/dbraw/zinc/55/94/66/666559466.db2.gz PYKGXVNQXQSILU-IRXDYDNUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033142090 666559468 /nfs/dbraw/zinc/55/94/68/666559468.db2.gz PYKGXVNQXQSILU-IRXDYDNUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033142090 666559470 /nfs/dbraw/zinc/55/94/70/666559470.db2.gz PYKGXVNQXQSILU-IRXDYDNUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946628106 666562969 /nfs/dbraw/zinc/56/29/69/666562969.db2.gz IHUJUNOHEMKREA-BBWFWOEESA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946628106 666562970 /nfs/dbraw/zinc/56/29/70/666562970.db2.gz IHUJUNOHEMKREA-BBWFWOEESA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946628106 666562972 /nfs/dbraw/zinc/56/29/72/666562972.db2.gz IHUJUNOHEMKREA-BBWFWOEESA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946628106 666562973 /nfs/dbraw/zinc/56/29/73/666562973.db2.gz IHUJUNOHEMKREA-BBWFWOEESA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677486 666594904 /nfs/dbraw/zinc/59/49/04/666594904.db2.gz CJEXOMLJZAISJV-IYBDPMFKSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677486 666594905 /nfs/dbraw/zinc/59/49/05/666594905.db2.gz CJEXOMLJZAISJV-IYBDPMFKSA-N 2 1 300.406 0.995 20 30 DCEDMP CC[NH+]=C(NCC1(O)CCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000086535899 666599191 /nfs/dbraw/zinc/59/91/91/666599191.db2.gz QUYGPIFMVUUWRU-OAHLLOKOSA-N 2 1 324.469 0.521 20 30 DCEDMP C[NH+]=C(NCC(=O)NC1CCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083096620 666610963 /nfs/dbraw/zinc/61/09/63/666610963.db2.gz BVQNFLKHMLICRO-CQSZACIVSA-N 2 1 321.469 0.837 20 30 DCEDMP C[NH+]=C(NCC(=O)NC1CCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083096620 666610964 /nfs/dbraw/zinc/61/09/64/666610964.db2.gz BVQNFLKHMLICRO-CQSZACIVSA-N 2 1 321.469 0.837 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001033687499 666795923 /nfs/dbraw/zinc/79/59/23/666795923.db2.gz HTEWAYAKQOOAHN-HOCLYGCPSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997623832 667350341 /nfs/dbraw/zinc/35/03/41/667350341.db2.gz IGZTYXBLPFQCRF-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997623832 667350344 /nfs/dbraw/zinc/35/03/44/667350344.db2.gz IGZTYXBLPFQCRF-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035680254 667398379 /nfs/dbraw/zinc/39/83/79/667398379.db2.gz NTSUXBMXQHOHFE-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035680254 667398381 /nfs/dbraw/zinc/39/83/81/667398381.db2.gz NTSUXBMXQHOHFE-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+](C)CCCOC)C1 ZINC000884172915 667489405 /nfs/dbraw/zinc/48/94/05/667489405.db2.gz HASIOEXFEMSISV-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+](C)CCCOC)C1 ZINC000884172915 667489409 /nfs/dbraw/zinc/48/94/09/667489409.db2.gz HASIOEXFEMSISV-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)CCCOC)C1 ZINC000884172915 667489412 /nfs/dbraw/zinc/48/94/12/667489412.db2.gz HASIOEXFEMSISV-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)CCCOC)C1 ZINC000884172915 667489416 /nfs/dbraw/zinc/48/94/16/667489416.db2.gz HASIOEXFEMSISV-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP COCCC[N@@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884226076 667504150 /nfs/dbraw/zinc/50/41/50/667504150.db2.gz JUFPHJBTEBQLBH-BBBYJDLNSA-N 2 1 308.426 0.210 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000121995246 667530185 /nfs/dbraw/zinc/53/01/85/667530185.db2.gz DOYIJJWEXJQQOT-IYBDPMFKSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000121995246 667530189 /nfs/dbraw/zinc/53/01/89/667530189.db2.gz DOYIJJWEXJQQOT-IYBDPMFKSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000923556757 667563030 /nfs/dbraw/zinc/56/30/30/667563030.db2.gz ZBMHPMVKWUWIMF-OAHLLOKOSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000923556757 667563031 /nfs/dbraw/zinc/56/30/31/667563031.db2.gz ZBMHPMVKWUWIMF-OAHLLOKOSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCN(C(=O)CC[NH+]1CCN(CC)CC1)C1CC[NH+](C)CC1 ZINC000886581076 667778562 /nfs/dbraw/zinc/77/85/62/667778562.db2.gz IXFDKAMYARQVED-UHFFFAOYSA-N 2 1 320.481 0.570 20 30 DCEDMP C#C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000775800852 668867929 /nfs/dbraw/zinc/86/79/29/668867929.db2.gz VAYOMGNBKICOPX-JKSUJKDBSA-N 2 1 305.422 0.500 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000947795415 670012970 /nfs/dbraw/zinc/01/29/70/670012970.db2.gz CJDSAACFEOMMTM-HOCLYGCPSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)[C@H](C)C2)CC1 ZINC000948070768 670053924 /nfs/dbraw/zinc/05/39/24/670053924.db2.gz SFFMKLLTUPOQPZ-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036856470 670223524 /nfs/dbraw/zinc/22/35/24/670223524.db2.gz RVDWZHYGIYHCFY-WBVHZDCISA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC000949189332 670283637 /nfs/dbraw/zinc/28/36/37/670283637.db2.gz QFZZLSCFWWPHPF-HZPDHXFCSA-N 2 1 319.449 0.511 20 30 DCEDMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852857202 671175794 /nfs/dbraw/zinc/17/57/94/671175794.db2.gz LWCISANPMCIXBZ-GASCZTMLSA-N 2 1 321.465 0.993 20 30 DCEDMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852857202 671175798 /nfs/dbraw/zinc/17/57/98/671175798.db2.gz LWCISANPMCIXBZ-GASCZTMLSA-N 2 1 321.465 0.993 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000834494543 671765127 /nfs/dbraw/zinc/76/51/27/671765127.db2.gz NYDJBXFCHFZYPN-OAGGEKHMSA-N 2 1 313.405 0.521 20 30 DCEDMP CC(C)CCOCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303904179 685207964 /nfs/dbraw/zinc/20/79/64/685207964.db2.gz YSZBLYMIEBKUBD-UHFFFAOYSA-N 2 1 300.447 0.676 20 30 DCEDMP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000303897696 685208619 /nfs/dbraw/zinc/20/86/19/685208619.db2.gz QUNCXYBRRQGRQD-AWEZNQCLSA-N 2 1 309.458 0.097 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303897696 685208625 /nfs/dbraw/zinc/20/86/25/685208625.db2.gz QUNCXYBRRQGRQD-AWEZNQCLSA-N 3 1 309.458 0.097 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000303897696 685208628 /nfs/dbraw/zinc/20/86/28/685208628.db2.gz QUNCXYBRRQGRQD-AWEZNQCLSA-N 3 1 309.458 0.097 20 30 DCEDMP C[C@@H]1CCCN(C(=[NH2+])NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000303979175 685210052 /nfs/dbraw/zinc/21/00/52/685210052.db2.gz MUEYEPMZAXIRLA-HUUCEWRRSA-N 2 1 323.485 0.976 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)C1CCC1 ZINC000304690414 685211093 /nfs/dbraw/zinc/21/10/93/685211093.db2.gz HCCZSUGQFYRXGI-CQSZACIVSA-N 2 1 309.458 0.681 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219010 687450145 /nfs/dbraw/zinc/45/01/45/687450145.db2.gz GXRQVTXVCYGFGH-HIFRSBDPSA-N 2 1 300.362 0.543 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344427 687562642 /nfs/dbraw/zinc/56/26/42/687562642.db2.gz HLGDLNMCULLROT-LSDHHAIUSA-N 2 1 319.405 0.387 20 30 DCEDMP C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590676 687778690 /nfs/dbraw/zinc/77/86/90/687778690.db2.gz BVKIEXMSDLKQCY-QWHCGFSZSA-N 2 1 313.829 0.244 20 30 DCEDMP C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590676 687778694 /nfs/dbraw/zinc/77/86/94/687778694.db2.gz BVKIEXMSDLKQCY-QWHCGFSZSA-N 2 1 313.829 0.244 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC)C[C@H]2O)CC1 ZINC000958724133 687876460 /nfs/dbraw/zinc/87/64/60/687876460.db2.gz LWUNNILNZWTRIG-HZPDHXFCSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729253 687882665 /nfs/dbraw/zinc/88/26/65/687882665.db2.gz TUKUTQDVDMGNMG-DOTOQJQBSA-N 2 1 315.417 0.404 20 30 DCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000964422365 689240881 /nfs/dbraw/zinc/24/08/81/689240881.db2.gz KZYRYKYKAKGOSS-UYSNPLJNSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000964422365 689240885 /nfs/dbraw/zinc/24/08/85/689240885.db2.gz KZYRYKYKAKGOSS-UYSNPLJNSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001039115378 694306024 /nfs/dbraw/zinc/30/60/24/694306024.db2.gz JZEQRSBCLYWHNW-DLBZAZTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001039115378 694306028 /nfs/dbraw/zinc/30/60/28/694306028.db2.gz JZEQRSBCLYWHNW-DLBZAZTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039115378 694306033 /nfs/dbraw/zinc/30/60/33/694306033.db2.gz JZEQRSBCLYWHNW-DLBZAZTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039115378 694306037 /nfs/dbraw/zinc/30/60/37/694306037.db2.gz JZEQRSBCLYWHNW-DLBZAZTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#C)CC[C@H]2C)CC1 ZINC000968681167 690365440 /nfs/dbraw/zinc/36/54/40/690365440.db2.gz HDDXVHILROIIBC-NVXWUHKLSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#C)CC[C@H]2C)CC1 ZINC000968681167 690365445 /nfs/dbraw/zinc/36/54/45/690365445.db2.gz HDDXVHILROIIBC-NVXWUHKLSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000968956173 690434811 /nfs/dbraw/zinc/43/48/11/690434811.db2.gz CINRUCBQZWTEHE-ZACQAIPSSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000968956173 690434813 /nfs/dbraw/zinc/43/48/13/690434813.db2.gz CINRUCBQZWTEHE-ZACQAIPSSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711635 692078750 /nfs/dbraw/zinc/07/87/50/692078750.db2.gz OZMZTBSMNUYVNM-HOCLYGCPSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711635 692078751 /nfs/dbraw/zinc/07/87/51/692078751.db2.gz OZMZTBSMNUYVNM-HOCLYGCPSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711635 692078755 /nfs/dbraw/zinc/07/87/55/692078755.db2.gz OZMZTBSMNUYVNM-HOCLYGCPSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711635 692078758 /nfs/dbraw/zinc/07/87/58/692078758.db2.gz OZMZTBSMNUYVNM-HOCLYGCPSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001016335599 692655653 /nfs/dbraw/zinc/65/56/53/692655653.db2.gz FEDPZPYGXBJKPW-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016553086 692719084 /nfs/dbraw/zinc/71/90/84/692719084.db2.gz PNZXZUGVFGCMFP-GJZGRUSLSA-N 2 1 305.422 0.311 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553086 692719087 /nfs/dbraw/zinc/71/90/87/692719087.db2.gz PNZXZUGVFGCMFP-GJZGRUSLSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016554204 692719153 /nfs/dbraw/zinc/71/91/53/692719153.db2.gz XMBLUZQMLYKFQO-HUUCEWRRSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016554204 692719155 /nfs/dbraw/zinc/71/91/55/692719155.db2.gz XMBLUZQMLYKFQO-HUUCEWRRSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016987797 692822122 /nfs/dbraw/zinc/82/21/22/692822122.db2.gz VFRUTKVJWFNTGS-HUUCEWRRSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016987797 692822128 /nfs/dbraw/zinc/82/21/28/692822128.db2.gz VFRUTKVJWFNTGS-HUUCEWRRSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040652463 694587474 /nfs/dbraw/zinc/58/74/74/694587474.db2.gz LKQHYNSHGXOUTL-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040652463 694587477 /nfs/dbraw/zinc/58/74/77/694587477.db2.gz LKQHYNSHGXOUTL-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433817 694726414 /nfs/dbraw/zinc/72/64/14/694726414.db2.gz OXBOICWHONZRIE-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072741084 694659302 /nfs/dbraw/zinc/65/93/02/694659302.db2.gz WYIKTAFALROYGX-INIZCTEOSA-N 2 1 301.434 0.886 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605151 694750135 /nfs/dbraw/zinc/75/01/35/694750135.db2.gz BTMHCLUEBSHHLT-DLBZAZTESA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605258 694750530 /nfs/dbraw/zinc/75/05/30/694750530.db2.gz GFJGERKKTGIQRE-SJORKVTESA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605452 694750569 /nfs/dbraw/zinc/75/05/69/694750569.db2.gz KZNMNVAMQWAFOU-JKSUJKDBSA-N 2 1 307.438 0.721 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073655024 694760514 /nfs/dbraw/zinc/76/05/14/694760514.db2.gz VHQCVECRALBSDP-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073655024 694760515 /nfs/dbraw/zinc/76/05/15/694760515.db2.gz VHQCVECRALBSDP-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798997 694977512 /nfs/dbraw/zinc/97/75/12/694977512.db2.gz XTGBCIFEEQPPTO-GVDBMIGSSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CCC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571340776 1162709115 /nfs/dbraw/zinc/70/91/15/1162709115.db2.gz CUUKGGUYENIEJA-MRXNPFEDSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001571492133 1162782244 /nfs/dbraw/zinc/78/22/44/1162782244.db2.gz ZZSRCHRHAJZIRM-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001755152693 1157961721 /nfs/dbraw/zinc/96/17/21/1157961721.db2.gz LFAWXEFHESRZEO-OAHLLOKOSA-N 2 1 307.438 0.295 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC#CCOC)C1 ZINC001753875153 1158079517 /nfs/dbraw/zinc/07/95/17/1158079517.db2.gz FZFQLWSASZGEFH-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC#CCOC)C1 ZINC001753875153 1158079524 /nfs/dbraw/zinc/07/95/24/1158079524.db2.gz FZFQLWSASZGEFH-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC#CCOC)C1 ZINC001753875153 1158079529 /nfs/dbraw/zinc/07/95/29/1158079529.db2.gz FZFQLWSASZGEFH-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1OCC ZINC001691774551 1158222805 /nfs/dbraw/zinc/22/28/05/1158222805.db2.gz YTYGSCUDAVJOLX-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001691655084 1158668853 /nfs/dbraw/zinc/66/88/53/1158668853.db2.gz KEZBWCGPMWXYBP-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001691655084 1158668854 /nfs/dbraw/zinc/66/88/54/1158668854.db2.gz KEZBWCGPMWXYBP-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001566640922 1159843603 /nfs/dbraw/zinc/84/36/03/1159843603.db2.gz XFGKSVNTFWKFDM-INIZCTEOSA-N 2 1 321.469 0.508 20 30 DCEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001566640922 1159843615 /nfs/dbraw/zinc/84/36/15/1159843615.db2.gz XFGKSVNTFWKFDM-INIZCTEOSA-N 2 1 321.469 0.508 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001566768288 1159849264 /nfs/dbraw/zinc/84/92/64/1159849264.db2.gz HIYYWOHXETWBDL-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566678677 1160126938 /nfs/dbraw/zinc/12/69/38/1160126938.db2.gz COKLQCHIZCDWJN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566678677 1160126939 /nfs/dbraw/zinc/12/69/39/1160126939.db2.gz COKLQCHIZCDWJN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566896125 1160178799 /nfs/dbraw/zinc/17/87/99/1160178799.db2.gz WQCNGJQYIYRPMQ-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001566913521 1160182504 /nfs/dbraw/zinc/18/25/04/1160182504.db2.gz RJDDDSMJOPBMNH-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)C1=O ZINC001567106109 1160242645 /nfs/dbraw/zinc/24/26/45/1160242645.db2.gz RBCRABUZMOJNDR-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567494718 1160395225 /nfs/dbraw/zinc/39/52/25/1160395225.db2.gz MEGFQCNXUZZUFV-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001568110517 1160577768 /nfs/dbraw/zinc/57/77/68/1160577768.db2.gz MKIIGULBVWLCAO-RBSFLKMASA-N 2 1 322.453 0.400 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001568646153 1160721146 /nfs/dbraw/zinc/72/11/46/1160721146.db2.gz NNZIAWNTEINGEO-KGLIPLIRSA-N 2 1 310.442 0.257 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001568969973 1160904763 /nfs/dbraw/zinc/90/47/63/1160904763.db2.gz RTGBYAFJLROGNT-RLPXRCBWSA-N 2 1 307.438 0.771 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCO1 ZINC001568997763 1160913338 /nfs/dbraw/zinc/91/33/38/1160913338.db2.gz IZFRMHDZNYVAFX-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCO1 ZINC001568997763 1160913347 /nfs/dbraw/zinc/91/33/47/1160913347.db2.gz IZFRMHDZNYVAFX-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001569662546 1161188006 /nfs/dbraw/zinc/18/80/06/1161188006.db2.gz VUAQHVWFNNDVAD-WMLDXEAASA-N 2 1 322.453 0.211 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001570135774 1161429802 /nfs/dbraw/zinc/42/98/02/1161429802.db2.gz ONOBFDSWOMVGCO-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001570135774 1161429806 /nfs/dbraw/zinc/42/98/06/1161429806.db2.gz ONOBFDSWOMVGCO-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001570187393 1161484100 /nfs/dbraw/zinc/48/41/00/1161484100.db2.gz LJGZSABJAGANQN-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001570294554 1161550776 /nfs/dbraw/zinc/55/07/76/1161550776.db2.gz WOXSOPBRMGXWLS-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001574674235 1163740495 /nfs/dbraw/zinc/74/04/95/1163740495.db2.gz WYMQYEIHSSYTKL-GJZGRUSLSA-N 2 1 305.422 0.440 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001574674235 1163740499 /nfs/dbraw/zinc/74/04/99/1163740499.db2.gz WYMQYEIHSSYTKL-GJZGRUSLSA-N 2 1 305.422 0.440 20 30 DCEDMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001650157133 1173487552 /nfs/dbraw/zinc/48/75/52/1173487552.db2.gz DHUYDLSTOWESFV-WBVHZDCISA-N 2 1 319.405 0.149 20 30 DCEDMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001650157133 1173487554 /nfs/dbraw/zinc/48/75/54/1173487554.db2.gz DHUYDLSTOWESFV-WBVHZDCISA-N 2 1 319.405 0.149 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001660207757 1173959145 /nfs/dbraw/zinc/95/91/45/1173959145.db2.gz MXWGNRBLBFOIQY-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001662919409 1174251930 /nfs/dbraw/zinc/25/19/30/1174251930.db2.gz UOAVZKKDUCBQBG-HUUCEWRRSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001663547295 1174319012 /nfs/dbraw/zinc/31/90/12/1174319012.db2.gz CWGICIMZYDJWST-AWEZNQCLSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001663547295 1174319017 /nfs/dbraw/zinc/31/90/17/1174319017.db2.gz CWGICIMZYDJWST-AWEZNQCLSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001664760262 1174455574 /nfs/dbraw/zinc/45/55/74/1174455574.db2.gz OYLFULPXLPVELT-HNNXBMFYSA-N 2 1 322.453 0.213 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001664850054 1174465944 /nfs/dbraw/zinc/46/59/44/1174465944.db2.gz WJCNBQILTIBYII-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001664850054 1174465949 /nfs/dbraw/zinc/46/59/49/1174465949.db2.gz WJCNBQILTIBYII-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001664850054 1174465953 /nfs/dbraw/zinc/46/59/53/1174465953.db2.gz WJCNBQILTIBYII-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665059191 1174478419 /nfs/dbraw/zinc/47/84/19/1174478419.db2.gz INBZEFQPKMCOSK-SOUVJXGZSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665059191 1174478423 /nfs/dbraw/zinc/47/84/23/1174478423.db2.gz INBZEFQPKMCOSK-SOUVJXGZSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCOCC1 ZINC001666563063 1174610541 /nfs/dbraw/zinc/61/05/41/1174610541.db2.gz GUXGSSINWXWOAW-RDJZCZTQSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCOCC1 ZINC001666563063 1174610542 /nfs/dbraw/zinc/61/05/42/1174610542.db2.gz GUXGSSINWXWOAW-RDJZCZTQSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001667346217 1174676499 /nfs/dbraw/zinc/67/64/99/1174676499.db2.gz OMWKNCGEKRURFN-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001672034034 1175065638 /nfs/dbraw/zinc/06/56/38/1175065638.db2.gz AIKSUVLMCMXFMI-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001672034034 1175065646 /nfs/dbraw/zinc/06/56/46/1175065646.db2.gz AIKSUVLMCMXFMI-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001673397242 1175200674 /nfs/dbraw/zinc/20/06/74/1175200674.db2.gz PRVCRVHCOKSTKD-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCOC)CC1 ZINC001676052077 1175416683 /nfs/dbraw/zinc/41/66/83/1175416683.db2.gz GFWYKHSGJYNEOW-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCOC)CC1 ZINC001676052077 1175416685 /nfs/dbraw/zinc/41/66/85/1175416685.db2.gz GFWYKHSGJYNEOW-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCOC)CC1 ZINC001676052077 1175416686 /nfs/dbraw/zinc/41/66/86/1175416686.db2.gz GFWYKHSGJYNEOW-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001676079407 1175417995 /nfs/dbraw/zinc/41/79/95/1175417995.db2.gz PFDRQRWZZYZMSF-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001676079407 1175417998 /nfs/dbraw/zinc/41/79/98/1175417998.db2.gz PFDRQRWZZYZMSF-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001676079407 1175418001 /nfs/dbraw/zinc/41/80/01/1175418001.db2.gz PFDRQRWZZYZMSF-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001676571405 1175462433 /nfs/dbraw/zinc/46/24/33/1175462433.db2.gz CFTAWNLHNRZQRF-GJZGRUSLSA-N 2 1 320.437 0.787 20 30 DCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001676584215 1175463654 /nfs/dbraw/zinc/46/36/54/1175463654.db2.gz QZWPLKLBEIOKHM-CZUORRHYSA-N 2 1 315.433 0.842 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001677116942 1175531151 /nfs/dbraw/zinc/53/11/51/1175531151.db2.gz YLJOIJGASHLSOG-HOCLYGCPSA-N 2 1 320.437 0.739 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001677138131 1175533751 /nfs/dbraw/zinc/53/37/51/1175533751.db2.gz KVEANKDAPKWMRN-IRXDYDNUSA-N 2 1 317.433 0.722 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001677168571 1175543347 /nfs/dbraw/zinc/54/33/47/1175543347.db2.gz HVHMLQCVKJOZLA-HOCLYGCPSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001677168571 1175543350 /nfs/dbraw/zinc/54/33/50/1175543350.db2.gz HVHMLQCVKJOZLA-HOCLYGCPSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001677507013 1175572672 /nfs/dbraw/zinc/57/26/72/1175572672.db2.gz ZSWCPQLATKKYHM-OAHLLOKOSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001689203803 1176739335 /nfs/dbraw/zinc/73/93/35/1176739335.db2.gz BRECOZDIVPNGGU-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001689203803 1176739341 /nfs/dbraw/zinc/73/93/41/1176739341.db2.gz BRECOZDIVPNGGU-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001689203803 1176739345 /nfs/dbraw/zinc/73/93/45/1176739345.db2.gz BRECOZDIVPNGGU-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001689206827 1176742218 /nfs/dbraw/zinc/74/22/18/1176742218.db2.gz XPSAQERRIQOMRQ-HNNXBMFYSA-N 2 1 306.410 0.663 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001689206827 1176742223 /nfs/dbraw/zinc/74/22/23/1176742223.db2.gz XPSAQERRIQOMRQ-HNNXBMFYSA-N 2 1 306.410 0.663 20 30 DCEDMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001690068504 1177159437 /nfs/dbraw/zinc/15/94/37/1177159437.db2.gz OUKWQRMPAFKJRM-HOTGVXAUSA-N 2 1 321.469 0.507 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cn2cc[nH+]c2C)n1 ZINC001692136402 1177423425 /nfs/dbraw/zinc/42/34/25/1177423425.db2.gz SSESDXKAHCOMNY-UHFFFAOYSA-N 2 1 316.365 0.279 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692238254 1177454845 /nfs/dbraw/zinc/45/48/45/1177454845.db2.gz SZVIDPTYGJQLCZ-MRXNPFEDSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692238254 1177454848 /nfs/dbraw/zinc/45/48/48/1177454848.db2.gz SZVIDPTYGJQLCZ-MRXNPFEDSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001699823955 1178307712 /nfs/dbraw/zinc/30/77/12/1178307712.db2.gz BPJGTQUOZAYVAJ-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001699823955 1178307721 /nfs/dbraw/zinc/30/77/21/1178307721.db2.gz BPJGTQUOZAYVAJ-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001699823955 1178307729 /nfs/dbraw/zinc/30/77/29/1178307729.db2.gz BPJGTQUOZAYVAJ-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001699823955 1178307739 /nfs/dbraw/zinc/30/77/39/1178307739.db2.gz BPJGTQUOZAYVAJ-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001700004015 1178425387 /nfs/dbraw/zinc/42/53/87/1178425387.db2.gz NOPJBQINNFTLPG-RDJZCZTQSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001700004015 1178425390 /nfs/dbraw/zinc/42/53/90/1178425390.db2.gz NOPJBQINNFTLPG-RDJZCZTQSA-N 2 1 309.454 0.683 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001700043838 1178457723 /nfs/dbraw/zinc/45/77/23/1178457723.db2.gz FYUPGLHWUFDZIO-KRWDZBQOSA-N 2 1 317.433 0.723 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001700462752 1178622620 /nfs/dbraw/zinc/62/26/20/1178622620.db2.gz XXVQZBNIYHUZMM-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001700462752 1178622623 /nfs/dbraw/zinc/62/26/23/1178622623.db2.gz XXVQZBNIYHUZMM-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001700462752 1178622625 /nfs/dbraw/zinc/62/26/25/1178622625.db2.gz XXVQZBNIYHUZMM-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001700462752 1178622630 /nfs/dbraw/zinc/62/26/30/1178622630.db2.gz XXVQZBNIYHUZMM-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCOCC[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001700546234 1178654295 /nfs/dbraw/zinc/65/42/95/1178654295.db2.gz OSWVQCFONVQJQG-GJZGRUSLSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001700753039 1178731474 /nfs/dbraw/zinc/73/14/74/1178731474.db2.gz SIGSJDNTJOCSSU-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001700788780 1178744191 /nfs/dbraw/zinc/74/41/91/1178744191.db2.gz APGYBXFVFSPDFI-CABCVRRESA-N 2 1 307.438 0.341 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001707083967 1180413090 /nfs/dbraw/zinc/41/30/90/1180413090.db2.gz QHDUJPUHDARBRD-SHTZXODSSA-N 2 1 304.394 0.326 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001707266344 1180453546 /nfs/dbraw/zinc/45/35/46/1180453546.db2.gz ZDGZUBCZRKCEFX-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001713083919 1180674272 /nfs/dbraw/zinc/67/42/72/1180674272.db2.gz ASGZUTYMCPTFCQ-ZIAGYGMSSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001713083919 1180674275 /nfs/dbraw/zinc/67/42/75/1180674275.db2.gz ASGZUTYMCPTFCQ-ZIAGYGMSSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713083919 1180674278 /nfs/dbraw/zinc/67/42/78/1180674278.db2.gz ASGZUTYMCPTFCQ-ZIAGYGMSSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001713083919 1180674281 /nfs/dbraw/zinc/67/42/81/1180674281.db2.gz ASGZUTYMCPTFCQ-ZIAGYGMSSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001713220437 1180726728 /nfs/dbraw/zinc/72/67/28/1180726728.db2.gz LCCGUMLMISMWMS-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001713220437 1180726734 /nfs/dbraw/zinc/72/67/34/1180726734.db2.gz LCCGUMLMISMWMS-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713220437 1180726740 /nfs/dbraw/zinc/72/67/40/1180726740.db2.gz LCCGUMLMISMWMS-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001713508579 1180883901 /nfs/dbraw/zinc/88/39/01/1180883901.db2.gz MUZSCEMFDAJLNC-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001713508579 1180883908 /nfs/dbraw/zinc/88/39/08/1180883908.db2.gz MUZSCEMFDAJLNC-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713536313 1180908224 /nfs/dbraw/zinc/90/82/24/1180908224.db2.gz VJXSYGYCSKOKQF-OAHLLOKOSA-N 2 1 307.438 0.416 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001713737865 1181035849 /nfs/dbraw/zinc/03/58/49/1181035849.db2.gz NYDGMMAQPQFPPO-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001713737865 1181035853 /nfs/dbraw/zinc/03/58/53/1181035853.db2.gz NYDGMMAQPQFPPO-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001713737865 1181035860 /nfs/dbraw/zinc/03/58/60/1181035860.db2.gz NYDGMMAQPQFPPO-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001713744558 1181039724 /nfs/dbraw/zinc/03/97/24/1181039724.db2.gz BDUMDKYBPFKESQ-CALCHBBNSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001713744558 1181039728 /nfs/dbraw/zinc/03/97/28/1181039728.db2.gz BDUMDKYBPFKESQ-CALCHBBNSA-N 2 1 320.481 0.568 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714542152 1181407778 /nfs/dbraw/zinc/40/77/78/1181407778.db2.gz QTDCGBVGLIVCGS-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714542152 1181407781 /nfs/dbraw/zinc/40/77/81/1181407781.db2.gz QTDCGBVGLIVCGS-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714542152 1181407786 /nfs/dbraw/zinc/40/77/86/1181407786.db2.gz QTDCGBVGLIVCGS-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001714758203 1181527720 /nfs/dbraw/zinc/52/77/20/1181527720.db2.gz ZTGUFCIDQDSKET-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001714910442 1181598285 /nfs/dbraw/zinc/59/82/85/1181598285.db2.gz WLZOPTRCXYXTTB-INIZCTEOSA-N 2 1 318.421 0.622 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001714910442 1181598288 /nfs/dbraw/zinc/59/82/88/1181598288.db2.gz WLZOPTRCXYXTTB-INIZCTEOSA-N 2 1 318.421 0.622 20 30 DCEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001714915231 1181598946 /nfs/dbraw/zinc/59/89/46/1181598946.db2.gz UFFMJKWTKKRHBA-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001714915231 1181598950 /nfs/dbraw/zinc/59/89/50/1181598950.db2.gz UFFMJKWTKKRHBA-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccnn1C ZINC001715341856 1181779968 /nfs/dbraw/zinc/77/99/68/1181779968.db2.gz YAVUFYLFAIYQMW-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccnn1C ZINC001715341856 1181779976 /nfs/dbraw/zinc/77/99/76/1181779976.db2.gz YAVUFYLFAIYQMW-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001716155079 1182223647 /nfs/dbraw/zinc/22/36/47/1182223647.db2.gz QIPXWKSUWICUMK-ZDUSSCGKSA-N 2 1 322.409 0.484 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001716482929 1182408102 /nfs/dbraw/zinc/40/81/02/1182408102.db2.gz UUWPCKFAOARORX-CYBMUJFWSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001716482929 1182408107 /nfs/dbraw/zinc/40/81/07/1182408107.db2.gz UUWPCKFAOARORX-CYBMUJFWSA-N 2 1 310.442 0.209 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001716850882 1182549093 /nfs/dbraw/zinc/54/90/93/1182549093.db2.gz IFZOEPHRPPUKQN-QGZVFWFLSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001716861035 1182552472 /nfs/dbraw/zinc/55/24/72/1182552472.db2.gz VYROPEUUHOBCKC-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001716931338 1182586767 /nfs/dbraw/zinc/58/67/67/1182586767.db2.gz YBCMTUQLLPMVQJ-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001716931338 1182586769 /nfs/dbraw/zinc/58/67/69/1182586769.db2.gz YBCMTUQLLPMVQJ-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCCC)CC1 ZINC001717319819 1182780331 /nfs/dbraw/zinc/78/03/31/1182780331.db2.gz VMEUINQZJCYMRQ-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCCC)CC1 ZINC001717319819 1182780338 /nfs/dbraw/zinc/78/03/38/1182780338.db2.gz VMEUINQZJCYMRQ-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001717587985 1182912394 /nfs/dbraw/zinc/91/23/94/1182912394.db2.gz QJASOHCMSATBCG-KGLIPLIRSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001717587985 1182912396 /nfs/dbraw/zinc/91/23/96/1182912396.db2.gz QJASOHCMSATBCG-KGLIPLIRSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717587985 1182912397 /nfs/dbraw/zinc/91/23/97/1182912397.db2.gz QJASOHCMSATBCG-KGLIPLIRSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717587985 1182912399 /nfs/dbraw/zinc/91/23/99/1182912399.db2.gz QJASOHCMSATBCG-KGLIPLIRSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001717902634 1183049810 /nfs/dbraw/zinc/04/98/10/1183049810.db2.gz BRUDBEHWPWRFSI-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001723940011 1184364435 /nfs/dbraw/zinc/36/44/35/1184364435.db2.gz NPMJAJMKXKOZEA-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001724632251 1184482856 /nfs/dbraw/zinc/48/28/56/1184482856.db2.gz ZAJGTBPMTQCHBR-KRWDZBQOSA-N 2 1 320.481 0.663 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001724641301 1184489620 /nfs/dbraw/zinc/48/96/20/1184489620.db2.gz ITITUIOCOVHRLY-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001724641301 1184489624 /nfs/dbraw/zinc/48/96/24/1184489624.db2.gz ITITUIOCOVHRLY-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001724736662 1184539500 /nfs/dbraw/zinc/53/95/00/1184539500.db2.gz CFBGIOTUNYODFB-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001725206967 1184724755 /nfs/dbraw/zinc/72/47/55/1184724755.db2.gz GAMQMWHOBABPJW-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001725257592 1184740517 /nfs/dbraw/zinc/74/05/17/1184740517.db2.gz HEPHJPMDSMOHTB-CQSZACIVSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001725427304 1184819083 /nfs/dbraw/zinc/81/90/83/1184819083.db2.gz MWRCAKLHXHCUGL-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001725716636 1184967844 /nfs/dbraw/zinc/96/78/44/1184967844.db2.gz NMIKDPINFVCPPP-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C(C)(C)C ZINC001725749948 1184981629 /nfs/dbraw/zinc/98/16/29/1184981629.db2.gz HUMXGCIEFURMAC-HNNXBMFYSA-N 2 1 309.454 0.853 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001731367886 1185299188 /nfs/dbraw/zinc/29/91/88/1185299188.db2.gz NQANOPWXDLHBCU-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001731702082 1185450185 /nfs/dbraw/zinc/45/01/85/1185450185.db2.gz KFAZQUMGPQXIBB-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001731848689 1185526972 /nfs/dbraw/zinc/52/69/72/1185526972.db2.gz LNYINDJOYBIINS-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001731848689 1185526976 /nfs/dbraw/zinc/52/69/76/1185526976.db2.gz LNYINDJOYBIINS-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001731848689 1185526981 /nfs/dbraw/zinc/52/69/81/1185526981.db2.gz LNYINDJOYBIINS-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001732064299 1185653624 /nfs/dbraw/zinc/65/36/24/1185653624.db2.gz KJVMSNAFIMWLET-UHFFFAOYSA-N 2 1 319.453 0.844 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001732078276 1185661397 /nfs/dbraw/zinc/66/13/97/1185661397.db2.gz PNABHDLVYFNXPH-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ocnc1C ZINC001732346885 1185775155 /nfs/dbraw/zinc/77/51/55/1185775155.db2.gz FUWZWCSMZHMNRX-HIFRSBDPSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ocnc1C ZINC001732346885 1185775161 /nfs/dbraw/zinc/77/51/61/1185775161.db2.gz FUWZWCSMZHMNRX-HIFRSBDPSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnoc1C ZINC001732346881 1185775201 /nfs/dbraw/zinc/77/52/01/1185775201.db2.gz FUQDDNSOPBFGMF-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnoc1C ZINC001732346881 1185775206 /nfs/dbraw/zinc/77/52/06/1185775206.db2.gz FUQDDNSOPBFGMF-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001732653413 1185897704 /nfs/dbraw/zinc/89/77/04/1185897704.db2.gz CODVDOZMKDUMOQ-GDBMZVCRSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001733415700 1186263712 /nfs/dbraw/zinc/26/37/12/1186263712.db2.gz ATTBBVFXLFCYOQ-KRWDZBQOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001733415700 1186263717 /nfs/dbraw/zinc/26/37/17/1186263717.db2.gz ATTBBVFXLFCYOQ-KRWDZBQOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001733491924 1186299321 /nfs/dbraw/zinc/29/93/21/1186299321.db2.gz IGMRBOAQVWBXRD-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC#CCOC)C1 ZINC001733536621 1186325747 /nfs/dbraw/zinc/32/57/47/1186325747.db2.gz URHWLPXMKIHGMV-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001734459709 1186657937 /nfs/dbraw/zinc/65/79/37/1186657937.db2.gz NKXTZVCAYBKBRI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001734459709 1186657939 /nfs/dbraw/zinc/65/79/39/1186657939.db2.gz NKXTZVCAYBKBRI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCC)[C@@H]2C)CC1 ZINC001750926646 1188359249 /nfs/dbraw/zinc/35/92/49/1188359249.db2.gz DWKMMNHXDKAJCT-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001752855136 1188450778 /nfs/dbraw/zinc/45/07/78/1188450778.db2.gz KTAZRSMBZDAXFZ-UHFFFAOYSA-N 2 1 309.454 0.993 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001752973148 1188470051 /nfs/dbraw/zinc/47/00/51/1188470051.db2.gz FWFCLCYMUFPDNI-CVEARBPZSA-N 2 1 318.421 0.858 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001753025035 1188479119 /nfs/dbraw/zinc/47/91/19/1188479119.db2.gz LYUQEJDARJEEIC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001753025035 1188479121 /nfs/dbraw/zinc/47/91/21/1188479121.db2.gz LYUQEJDARJEEIC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001753025035 1188479122 /nfs/dbraw/zinc/47/91/22/1188479122.db2.gz LYUQEJDARJEEIC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001753025035 1188479125 /nfs/dbraw/zinc/47/91/25/1188479125.db2.gz LYUQEJDARJEEIC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001753596433 1188622370 /nfs/dbraw/zinc/62/23/70/1188622370.db2.gz GDCRVHIFQZJCLD-QGZVFWFLSA-N 2 1 315.417 0.746 20 30 DCEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001753596433 1188622374 /nfs/dbraw/zinc/62/23/74/1188622374.db2.gz GDCRVHIFQZJCLD-QGZVFWFLSA-N 2 1 315.417 0.746 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754322966 1188821055 /nfs/dbraw/zinc/82/10/55/1188821055.db2.gz GQKIIBZXAOLTQQ-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754322966 1188821060 /nfs/dbraw/zinc/82/10/60/1188821060.db2.gz GQKIIBZXAOLTQQ-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754322966 1188821064 /nfs/dbraw/zinc/82/10/64/1188821064.db2.gz GQKIIBZXAOLTQQ-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754322966 1188821068 /nfs/dbraw/zinc/82/10/68/1188821068.db2.gz GQKIIBZXAOLTQQ-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001754600990 1188888147 /nfs/dbraw/zinc/88/81/47/1188888147.db2.gz JWHIPSVUHDEGEP-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001754738263 1188914260 /nfs/dbraw/zinc/91/42/60/1188914260.db2.gz QETXXVZAXGKFHK-CQSZACIVSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001754738263 1188914263 /nfs/dbraw/zinc/91/42/63/1188914263.db2.gz QETXXVZAXGKFHK-CQSZACIVSA-N 2 1 311.426 0.148 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754756983 1188923965 /nfs/dbraw/zinc/92/39/65/1188923965.db2.gz ACNKHTHHDKQCAW-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)OC)CCC1 ZINC001754982087 1188986503 /nfs/dbraw/zinc/98/65/03/1188986503.db2.gz PBZCOVCHOBZKBG-CABCVRRESA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)OC)CCC1 ZINC001754982087 1188986505 /nfs/dbraw/zinc/98/65/05/1188986505.db2.gz PBZCOVCHOBZKBG-CABCVRRESA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027753 1189000439 /nfs/dbraw/zinc/00/04/39/1189000439.db2.gz GOLWACNHOKUYHE-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CC[NH2+]CC1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCOCC1 ZINC001755099500 1189022807 /nfs/dbraw/zinc/02/28/07/1189022807.db2.gz HAOMXAPPOOKWHK-INIZCTEOSA-N 2 1 307.438 0.913 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001755154664 1189038096 /nfs/dbraw/zinc/03/80/96/1189038096.db2.gz FACAUDPJTABFBC-OAHLLOKOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001755388337 1189099853 /nfs/dbraw/zinc/09/98/53/1189099853.db2.gz ZBNUEZGFMKSIJS-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC1(C)CC[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC001772298788 1190657046 /nfs/dbraw/zinc/65/70/46/1190657046.db2.gz VJGXDVLSSSBJEG-XOYHFGRZSA-N 2 1 304.438 0.974 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001125221163 751844210 /nfs/dbraw/zinc/84/42/10/751844210.db2.gz NRQRKCBNXLUESL-HNNXBMFYSA-N 2 1 302.378 0.095 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001125221163 751844219 /nfs/dbraw/zinc/84/42/19/751844219.db2.gz NRQRKCBNXLUESL-HNNXBMFYSA-N 2 1 302.378 0.095 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089895110 751934160 /nfs/dbraw/zinc/93/41/60/751934160.db2.gz YYXCWMUWFXSEJC-YVSFHVDLSA-N 2 1 313.445 0.884 20 30 DCEDMP COCC[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)C(C)(C)C1 ZINC001579039597 1165194060 /nfs/dbraw/zinc/19/40/60/1165194060.db2.gz WBNUFZDVBOQKQF-UHFFFAOYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)C(C)(C)C1 ZINC001579039597 1165194063 /nfs/dbraw/zinc/19/40/63/1165194063.db2.gz WBNUFZDVBOQKQF-UHFFFAOYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219104 750275052 /nfs/dbraw/zinc/27/50/52/750275052.db2.gz KKUCLUSINJKLJR-HZPDHXFCSA-N 2 1 321.465 0.990 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001122247429 751023181 /nfs/dbraw/zinc/02/31/81/751023181.db2.gz FWHSDDGHDYINBL-LSDHHAIUSA-N 2 1 307.463 0.685 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203506738 751143385 /nfs/dbraw/zinc/14/33/85/751143385.db2.gz LERBCEGWSYNCSG-LSDHHAIUSA-N 2 1 305.422 0.359 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](C(C)C)CCO1 ZINC001108003154 752898088 /nfs/dbraw/zinc/89/80/88/752898088.db2.gz BNLWGRYEYPCDJM-RDJZCZTQSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001108003154 752898094 /nfs/dbraw/zinc/89/80/94/752898094.db2.gz BNLWGRYEYPCDJM-RDJZCZTQSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001045645280 753277894 /nfs/dbraw/zinc/27/78/94/753277894.db2.gz SQXZABBFPIKGIT-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045645280 753277898 /nfs/dbraw/zinc/27/78/98/753277898.db2.gz SQXZABBFPIKGIT-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1C ZINC001071890434 762204553 /nfs/dbraw/zinc/20/45/53/762204553.db2.gz MGUKSSVOIWANKU-ZBFHGGJFSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1C ZINC001071890434 762204556 /nfs/dbraw/zinc/20/45/56/762204556.db2.gz MGUKSSVOIWANKU-ZBFHGGJFSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001046036954 753440530 /nfs/dbraw/zinc/44/05/30/753440530.db2.gz QQHVFKXLUBLMBP-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC)C2)CC1 ZINC001046036954 753440532 /nfs/dbraw/zinc/44/05/32/753440532.db2.gz QQHVFKXLUBLMBP-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC)C2)CC1 ZINC001046036954 753440535 /nfs/dbraw/zinc/44/05/35/753440535.db2.gz QQHVFKXLUBLMBP-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC)C2)CC1 ZINC001046036954 753440540 /nfs/dbraw/zinc/44/05/40/753440540.db2.gz QQHVFKXLUBLMBP-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062108 753456059 /nfs/dbraw/zinc/45/60/59/753456059.db2.gz BDINGJIJVOGLMT-IRXDYDNUSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064483 753458535 /nfs/dbraw/zinc/45/85/35/753458535.db2.gz OHQUCMKJEBXJAM-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046064483 753458539 /nfs/dbraw/zinc/45/85/39/753458539.db2.gz OHQUCMKJEBXJAM-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046064483 753458541 /nfs/dbraw/zinc/45/85/41/753458541.db2.gz OHQUCMKJEBXJAM-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075858 753468190 /nfs/dbraw/zinc/46/81/90/753468190.db2.gz GVOFSQATQCCXSO-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075858 753468192 /nfs/dbraw/zinc/46/81/92/753468192.db2.gz GVOFSQATQCCXSO-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075858 753468193 /nfs/dbraw/zinc/46/81/93/753468193.db2.gz GVOFSQATQCCXSO-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108049666 753483959 /nfs/dbraw/zinc/48/39/59/753483959.db2.gz OKAHFOJZUFMKGR-QGZVFWFLSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108049666 753483962 /nfs/dbraw/zinc/48/39/62/753483962.db2.gz OKAHFOJZUFMKGR-QGZVFWFLSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)CC1 ZINC001047209978 754129551 /nfs/dbraw/zinc/12/95/51/754129551.db2.gz ZUJTUDIEPHEZCK-UAGQMJEPSA-N 2 1 319.449 0.293 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424716 754269823 /nfs/dbraw/zinc/26/98/23/754269823.db2.gz UUAIMCGCJLTWQV-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424716 754269824 /nfs/dbraw/zinc/26/98/24/754269824.db2.gz UUAIMCGCJLTWQV-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001047638127 754452903 /nfs/dbraw/zinc/45/29/03/754452903.db2.gz CNYOOQHKTOPUFQ-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638127 754452906 /nfs/dbraw/zinc/45/29/06/754452906.db2.gz CNYOOQHKTOPUFQ-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638127 754452907 /nfs/dbraw/zinc/45/29/07/754452907.db2.gz CNYOOQHKTOPUFQ-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090260643 754821546 /nfs/dbraw/zinc/82/15/46/754821546.db2.gz IVHWHFOYJLBUJY-JKSUJKDBSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048831704 754966697 /nfs/dbraw/zinc/96/66/97/754966697.db2.gz AEIYRXXNVKQNIX-TWMKSMIVSA-N 2 1 317.433 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048831704 754966705 /nfs/dbraw/zinc/96/67/05/754966705.db2.gz AEIYRXXNVKQNIX-TWMKSMIVSA-N 2 1 317.433 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048831704 754966712 /nfs/dbraw/zinc/96/67/12/754966712.db2.gz AEIYRXXNVKQNIX-TWMKSMIVSA-N 2 1 317.433 0.263 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048831708 754966873 /nfs/dbraw/zinc/96/68/73/754966873.db2.gz AEIYRXXNVKQNIX-YVSFHVDLSA-N 2 1 317.433 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048831708 754966878 /nfs/dbraw/zinc/96/68/78/754966878.db2.gz AEIYRXXNVKQNIX-YVSFHVDLSA-N 2 1 317.433 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048831708 754966880 /nfs/dbraw/zinc/96/68/80/754966880.db2.gz AEIYRXXNVKQNIX-YVSFHVDLSA-N 2 1 317.433 0.263 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048834129 754968127 /nfs/dbraw/zinc/96/81/27/754968127.db2.gz ZVCOMEPLZCFEFL-FZKCQIBNSA-N 2 1 305.422 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048834129 754968132 /nfs/dbraw/zinc/96/81/32/754968132.db2.gz ZVCOMEPLZCFEFL-FZKCQIBNSA-N 2 1 305.422 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048834129 754968136 /nfs/dbraw/zinc/96/81/36/754968136.db2.gz ZVCOMEPLZCFEFL-FZKCQIBNSA-N 2 1 305.422 0.426 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833486 754968175 /nfs/dbraw/zinc/96/81/75/754968175.db2.gz PLGBNDIALVFHFD-YVSFHVDLSA-N 2 1 319.449 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833486 754968181 /nfs/dbraw/zinc/96/81/81/754968181.db2.gz PLGBNDIALVFHFD-YVSFHVDLSA-N 2 1 319.449 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833486 754968186 /nfs/dbraw/zinc/96/81/86/754968186.db2.gz PLGBNDIALVFHFD-YVSFHVDLSA-N 2 1 319.449 0.816 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049135124 755141755 /nfs/dbraw/zinc/14/17/55/755141755.db2.gz HIMIBYGKCCDFNK-IYBDPMFKSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001098509347 755204713 /nfs/dbraw/zinc/20/47/13/755204713.db2.gz CWQITIQLEOUMNT-UHFFFAOYSA-N 2 1 321.465 0.637 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049392305 755247315 /nfs/dbraw/zinc/24/73/15/755247315.db2.gz XNWLBVBMMKJFCK-XHSDSOJGSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391024 755247503 /nfs/dbraw/zinc/24/75/03/755247503.db2.gz FYTAXRHRAZNFDJ-ARFHVFGLSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)CC1 ZINC001096605594 755457265 /nfs/dbraw/zinc/45/72/65/755457265.db2.gz WEADULWZPLCNHW-IKGGRYGDSA-N 2 1 319.449 0.436 20 30 DCEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001054107696 756368937 /nfs/dbraw/zinc/36/89/37/756368937.db2.gz GEQLEOSIDCYISQ-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001054107696 756368943 /nfs/dbraw/zinc/36/89/43/756368943.db2.gz GEQLEOSIDCYISQ-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054107696 756368947 /nfs/dbraw/zinc/36/89/47/756368947.db2.gz GEQLEOSIDCYISQ-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054107696 756368950 /nfs/dbraw/zinc/36/89/50/756368950.db2.gz GEQLEOSIDCYISQ-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699224 756779525 /nfs/dbraw/zinc/77/95/25/756779525.db2.gz KLVMHIYDBXYWFB-ZJIFWQFVSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699224 756779528 /nfs/dbraw/zinc/77/95/28/756779528.db2.gz KLVMHIYDBXYWFB-ZJIFWQFVSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699224 756779533 /nfs/dbraw/zinc/77/95/33/756779533.db2.gz KLVMHIYDBXYWFB-ZJIFWQFVSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699224 756779535 /nfs/dbraw/zinc/77/95/35/756779535.db2.gz KLVMHIYDBXYWFB-ZJIFWQFVSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001082053050 756908373 /nfs/dbraw/zinc/90/83/73/756908373.db2.gz VRCZZOXMUGTCBZ-GVDBMIGSSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082053050 756908376 /nfs/dbraw/zinc/90/83/76/756908376.db2.gz VRCZZOXMUGTCBZ-GVDBMIGSSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053050 756908378 /nfs/dbraw/zinc/90/83/78/756908378.db2.gz VRCZZOXMUGTCBZ-GVDBMIGSSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053050 756908380 /nfs/dbraw/zinc/90/83/80/756908380.db2.gz VRCZZOXMUGTCBZ-GVDBMIGSSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653272 757214816 /nfs/dbraw/zinc/21/48/16/757214816.db2.gz CRXXRRVCPZXJJB-HCBPCCMXSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075065 757335501 /nfs/dbraw/zinc/33/55/01/757335501.db2.gz SWAJXCPDCZEXDX-QKPAOTATSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075065 757335513 /nfs/dbraw/zinc/33/55/13/757335513.db2.gz SWAJXCPDCZEXDX-QKPAOTATSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075065 757335524 /nfs/dbraw/zinc/33/55/24/757335524.db2.gz SWAJXCPDCZEXDX-QKPAOTATSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075065 757335536 /nfs/dbraw/zinc/33/55/36/757335536.db2.gz SWAJXCPDCZEXDX-QKPAOTATSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393954 757392242 /nfs/dbraw/zinc/39/22/42/757392242.db2.gz RXUOVUFXLIQTNU-GJZGRUSLSA-N 2 1 305.422 0.190 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110583 757470588 /nfs/dbraw/zinc/47/05/88/757470588.db2.gz KTTRQDSVCNUTGC-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110583 757470594 /nfs/dbraw/zinc/47/05/94/757470594.db2.gz KTTRQDSVCNUTGC-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110583 757470597 /nfs/dbraw/zinc/47/05/97/757470597.db2.gz KTTRQDSVCNUTGC-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176476 757551585 /nfs/dbraw/zinc/55/15/85/757551585.db2.gz VNLZADDSXUCLKC-YHUYYLMFSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176476 757551589 /nfs/dbraw/zinc/55/15/89/757551589.db2.gz VNLZADDSXUCLKC-YHUYYLMFSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176476 757551595 /nfs/dbraw/zinc/55/15/95/757551595.db2.gz VNLZADDSXUCLKC-YHUYYLMFSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176476 757551600 /nfs/dbraw/zinc/55/16/00/757551600.db2.gz VNLZADDSXUCLKC-YHUYYLMFSA-N 2 1 307.438 0.814 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349739 757797088 /nfs/dbraw/zinc/79/70/88/757797088.db2.gz YRXOGAZJNQIFCW-BRWVUGGUSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050761278 758036466 /nfs/dbraw/zinc/03/64/66/758036466.db2.gz KMKBONAACQQLHW-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050761278 758036474 /nfs/dbraw/zinc/03/64/74/758036474.db2.gz KMKBONAACQQLHW-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050761355 758036528 /nfs/dbraw/zinc/03/65/28/758036528.db2.gz LYRUPQDSMYXJLK-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050761355 758036541 /nfs/dbraw/zinc/03/65/41/758036541.db2.gz LYRUPQDSMYXJLK-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085309028 758810777 /nfs/dbraw/zinc/81/07/77/758810777.db2.gz USYPFCHDWFSKAS-OAGGEKHMSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085309028 758810784 /nfs/dbraw/zinc/81/07/84/758810784.db2.gz USYPFCHDWFSKAS-OAGGEKHMSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CCC2)C1 ZINC001051660424 758842162 /nfs/dbraw/zinc/84/21/62/758842162.db2.gz SMSJLNCBNBGJQR-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CCC2)C1 ZINC001051660424 758842168 /nfs/dbraw/zinc/84/21/68/758842168.db2.gz SMSJLNCBNBGJQR-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731616 759245367 /nfs/dbraw/zinc/24/53/67/759245367.db2.gz GKDUZQIKPKQICB-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731616 759245376 /nfs/dbraw/zinc/24/53/76/759245376.db2.gz GKDUZQIKPKQICB-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731616 759245382 /nfs/dbraw/zinc/24/53/82/759245382.db2.gz GKDUZQIKPKQICB-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC001052456515 759429252 /nfs/dbraw/zinc/42/92/52/759429252.db2.gz GFQGOQVDHHKLHX-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCOC)CC1 ZINC001052456515 759429255 /nfs/dbraw/zinc/42/92/55/759429255.db2.gz GFQGOQVDHHKLHX-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCOC)CC1 ZINC001052456515 759429261 /nfs/dbraw/zinc/42/92/61/759429261.db2.gz GFQGOQVDHHKLHX-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCOC)CC1 ZINC001052456515 759429264 /nfs/dbraw/zinc/42/92/64/759429264.db2.gz GFQGOQVDHHKLHX-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147898216 767876200 /nfs/dbraw/zinc/87/62/00/767876200.db2.gz GOVDQYJCQSKDSA-UHFFFAOYSA-N 2 1 316.405 0.376 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147898216 767876207 /nfs/dbraw/zinc/87/62/07/767876207.db2.gz GOVDQYJCQSKDSA-UHFFFAOYSA-N 2 1 316.405 0.376 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098405993 759697456 /nfs/dbraw/zinc/69/74/56/759697456.db2.gz ALJWZDXBKCYDCH-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001098405993 759697464 /nfs/dbraw/zinc/69/74/64/759697464.db2.gz ALJWZDXBKCYDCH-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001098405993 759697473 /nfs/dbraw/zinc/69/74/73/759697473.db2.gz ALJWZDXBKCYDCH-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292887 767960267 /nfs/dbraw/zinc/96/02/67/767960267.db2.gz YXTWZAVXJPIAAT-CVEARBPZSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292887 767960271 /nfs/dbraw/zinc/96/02/71/767960271.db2.gz YXTWZAVXJPIAAT-CVEARBPZSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292887 767960273 /nfs/dbraw/zinc/96/02/73/767960273.db2.gz YXTWZAVXJPIAAT-CVEARBPZSA-N 2 1 321.465 0.921 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)N(C)C)C2 ZINC001109400704 761397556 /nfs/dbraw/zinc/39/75/56/761397556.db2.gz RFSLXVRVDWQHAC-UGUYLWEFSA-N 2 1 315.421 0.168 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)N(C)C)C2 ZINC001109400704 761397564 /nfs/dbraw/zinc/39/75/64/761397564.db2.gz RFSLXVRVDWQHAC-UGUYLWEFSA-N 2 1 315.421 0.168 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131770 761517747 /nfs/dbraw/zinc/51/77/47/761517747.db2.gz ILDRZEKDAKSOGL-LSDHHAIUSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131770 761517753 /nfs/dbraw/zinc/51/77/53/761517753.db2.gz ILDRZEKDAKSOGL-LSDHHAIUSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131770 761517760 /nfs/dbraw/zinc/51/77/60/761517760.db2.gz ILDRZEKDAKSOGL-LSDHHAIUSA-N 2 1 313.442 0.081 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](C)O2 ZINC001098662957 762705884 /nfs/dbraw/zinc/70/58/84/762705884.db2.gz RETOSUDHKGICQY-CVEARBPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001098774721 762729653 /nfs/dbraw/zinc/72/96/53/762729653.db2.gz SPGQGWWDHCIFQL-HNNXBMFYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001098774721 762729654 /nfs/dbraw/zinc/72/96/54/762729654.db2.gz SPGQGWWDHCIFQL-HNNXBMFYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)COCC[NH+](C)C)C1 ZINC001099547923 762896366 /nfs/dbraw/zinc/89/63/66/762896366.db2.gz NLIWHHBUGFYVOK-QAETUUGQSA-N 2 1 321.465 0.919 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938442 763142785 /nfs/dbraw/zinc/14/27/85/763142785.db2.gz WASNFCGTOLVUEP-JKSUJKDBSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100035023 763238610 /nfs/dbraw/zinc/23/86/10/763238610.db2.gz XAJZPCRGIFVMRY-GJZGRUSLSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100035023 763238620 /nfs/dbraw/zinc/23/86/20/763238620.db2.gz XAJZPCRGIFVMRY-GJZGRUSLSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC)C1=O ZINC001130424746 763295762 /nfs/dbraw/zinc/29/57/62/763295762.db2.gz ALCXHSOKAKYFJC-ZDUSSCGKSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100114192 763324341 /nfs/dbraw/zinc/32/43/41/763324341.db2.gz KAEDBBUICRMPJG-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100114192 763324348 /nfs/dbraw/zinc/32/43/48/763324348.db2.gz KAEDBBUICRMPJG-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001100605597 763678382 /nfs/dbraw/zinc/67/83/82/763678382.db2.gz KLQAFEAWEXMQHT-GPANFISMSA-N 2 1 307.438 0.603 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132441286 764461857 /nfs/dbraw/zinc/46/18/57/764461857.db2.gz MWSVPMQKTKEUTK-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132441286 764461852 /nfs/dbraw/zinc/46/18/52/764461852.db2.gz MWSVPMQKTKEUTK-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132441286 764461854 /nfs/dbraw/zinc/46/18/54/764461854.db2.gz MWSVPMQKTKEUTK-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132441286 764461861 /nfs/dbraw/zinc/46/18/61/764461861.db2.gz MWSVPMQKTKEUTK-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098479288 764523674 /nfs/dbraw/zinc/52/36/74/764523674.db2.gz ZPCBKEZHKYWBQW-ZBFHGGJFSA-N 2 1 309.454 0.655 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479288 764523682 /nfs/dbraw/zinc/52/36/82/764523682.db2.gz ZPCBKEZHKYWBQW-ZBFHGGJFSA-N 2 1 309.454 0.655 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479288 764523693 /nfs/dbraw/zinc/52/36/93/764523693.db2.gz ZPCBKEZHKYWBQW-ZBFHGGJFSA-N 2 1 309.454 0.655 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001102525356 764679700 /nfs/dbraw/zinc/67/97/00/764679700.db2.gz YEMZLSFZMTZDIH-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001102525356 764679705 /nfs/dbraw/zinc/67/97/05/764679705.db2.gz YEMZLSFZMTZDIH-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001102525356 764679712 /nfs/dbraw/zinc/67/97/12/764679712.db2.gz YEMZLSFZMTZDIH-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578129 764710143 /nfs/dbraw/zinc/71/01/43/764710143.db2.gz MMKKSUDJWQUKSO-OWCLPIDISA-N 2 1 309.454 0.825 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578129 764710151 /nfs/dbraw/zinc/71/01/51/764710151.db2.gz MMKKSUDJWQUKSO-OWCLPIDISA-N 2 1 309.454 0.825 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578129 764710158 /nfs/dbraw/zinc/71/01/58/764710158.db2.gz MMKKSUDJWQUKSO-OWCLPIDISA-N 2 1 309.454 0.825 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536978 765076317 /nfs/dbraw/zinc/07/63/17/765076317.db2.gz LTJXDLULIXHGPM-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536978 765076321 /nfs/dbraw/zinc/07/63/21/765076321.db2.gz LTJXDLULIXHGPM-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001133869729 765195800 /nfs/dbraw/zinc/19/58/00/765195800.db2.gz KERLUGCEZNAYTA-CJNGLKHVSA-N 2 1 300.406 0.962 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104000232 765229274 /nfs/dbraw/zinc/22/92/74/765229274.db2.gz ZWLLGEQYZJOCFO-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134606776 765599766 /nfs/dbraw/zinc/59/97/66/765599766.db2.gz ASJDFUIUDTWMJH-ZIAGYGMSSA-N 2 1 324.469 0.646 20 30 DCEDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)cc1C#N ZINC001124837230 768312547 /nfs/dbraw/zinc/31/25/47/768312547.db2.gz KUEXGTPXOGJYOD-HNNXBMFYSA-N 2 1 316.405 0.867 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305265 765876010 /nfs/dbraw/zinc/87/60/10/765876010.db2.gz OXVBABIEWDMPCE-CYBMUJFWSA-N 2 1 321.425 0.368 20 30 DCEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725338 766257056 /nfs/dbraw/zinc/25/70/56/766257056.db2.gz HPZCTDVOYOPAAA-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725338 766257060 /nfs/dbraw/zinc/25/70/60/766257060.db2.gz HPZCTDVOYOPAAA-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001159725338 766257062 /nfs/dbraw/zinc/25/70/62/766257062.db2.gz HPZCTDVOYOPAAA-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725338 766257065 /nfs/dbraw/zinc/25/70/65/766257065.db2.gz HPZCTDVOYOPAAA-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090625291 766391118 /nfs/dbraw/zinc/39/11/18/766391118.db2.gz STENJQITZAIPCK-HOTGVXAUSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724707 768377645 /nfs/dbraw/zinc/37/76/45/768377645.db2.gz SYYJSHSXWZEJJJ-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724707 768377651 /nfs/dbraw/zinc/37/76/51/768377651.db2.gz SYYJSHSXWZEJJJ-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724707 768377659 /nfs/dbraw/zinc/37/76/59/768377659.db2.gz SYYJSHSXWZEJJJ-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092724707 768377666 /nfs/dbraw/zinc/37/76/66/768377666.db2.gz SYYJSHSXWZEJJJ-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092909308 768414280 /nfs/dbraw/zinc/41/42/80/768414280.db2.gz HFHBFCLJKFJCAS-BZUAXINKSA-N 2 1 309.454 0.966 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001149863269 768890326 /nfs/dbraw/zinc/89/03/26/768890326.db2.gz ZRQHKARUXRZAJT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149863269 768890339 /nfs/dbraw/zinc/89/03/39/768890339.db2.gz ZRQHKARUXRZAJT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863269 768890350 /nfs/dbraw/zinc/89/03/50/768890350.db2.gz ZRQHKARUXRZAJT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863269 768890362 /nfs/dbraw/zinc/89/03/62/768890362.db2.gz ZRQHKARUXRZAJT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384622 769040333 /nfs/dbraw/zinc/04/03/33/769040333.db2.gz BLVXTWAADSCPRZ-ZMSDIMECSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384622 769040344 /nfs/dbraw/zinc/04/03/44/769040344.db2.gz BLVXTWAADSCPRZ-ZMSDIMECSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384622 769040354 /nfs/dbraw/zinc/04/03/54/769040354.db2.gz BLVXTWAADSCPRZ-ZMSDIMECSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384622 769040364 /nfs/dbraw/zinc/04/03/64/769040364.db2.gz BLVXTWAADSCPRZ-ZMSDIMECSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2cncn2C)C1 ZINC001150652842 769151850 /nfs/dbraw/zinc/15/18/50/769151850.db2.gz FHKXODJLZRESPZ-HNNXBMFYSA-N 2 1 304.394 0.193 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2cncn2C)C1 ZINC001150652842 769151853 /nfs/dbraw/zinc/15/18/53/769151853.db2.gz FHKXODJLZRESPZ-HNNXBMFYSA-N 2 1 304.394 0.193 20 30 DCEDMP CC#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151408410 769332715 /nfs/dbraw/zinc/33/27/15/769332715.db2.gz IYRAYJTXSUUDEH-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234392534 769646051 /nfs/dbraw/zinc/64/60/51/769646051.db2.gz MEUKKHZQHGPYGR-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150588675 770097649 /nfs/dbraw/zinc/09/76/49/770097649.db2.gz QUFAGRDQECZOFA-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588675 770097660 /nfs/dbraw/zinc/09/76/60/770097660.db2.gz QUFAGRDQECZOFA-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588675 770097669 /nfs/dbraw/zinc/09/76/69/770097669.db2.gz QUFAGRDQECZOFA-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150588674 770097910 /nfs/dbraw/zinc/09/79/10/770097910.db2.gz QUFAGRDQECZOFA-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588674 770097923 /nfs/dbraw/zinc/09/79/23/770097923.db2.gz QUFAGRDQECZOFA-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588674 770097935 /nfs/dbraw/zinc/09/79/35/770097935.db2.gz QUFAGRDQECZOFA-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563345 770125980 /nfs/dbraw/zinc/12/59/80/770125980.db2.gz CRRSGJIWKDDMGG-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563344 770126052 /nfs/dbraw/zinc/12/60/52/770126052.db2.gz CRRSGJIWKDDMGG-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565500 770127602 /nfs/dbraw/zinc/12/76/02/770127602.db2.gz VYEXSOHNNBCDDW-GJZGRUSLSA-N 2 1 324.469 0.505 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001156144496 770730769 /nfs/dbraw/zinc/73/07/69/770730769.db2.gz DJCSNYNRSPYFRQ-INIZCTEOSA-N 2 1 316.405 0.485 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001156144496 770730778 /nfs/dbraw/zinc/73/07/78/770730778.db2.gz DJCSNYNRSPYFRQ-INIZCTEOSA-N 2 1 316.405 0.485 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001156144480 770730850 /nfs/dbraw/zinc/73/08/50/770730850.db2.gz DDSPTDTXQLPZQK-KRWDZBQOSA-N 2 1 315.417 0.465 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001156144480 770730856 /nfs/dbraw/zinc/73/08/56/770730856.db2.gz DDSPTDTXQLPZQK-KRWDZBQOSA-N 2 1 315.417 0.465 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409107 770806337 /nfs/dbraw/zinc/80/63/37/770806337.db2.gz CYPAQDPQDXWZBE-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001180135820 771061085 /nfs/dbraw/zinc/06/10/85/771061085.db2.gz KTNFPFSGZNXIFW-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001182897348 771573193 /nfs/dbraw/zinc/57/31/93/771573193.db2.gz WGWRPELSLLIBGM-NVXWUHKLSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001183254360 771630322 /nfs/dbraw/zinc/63/03/22/771630322.db2.gz DDSIBZMSXROQNR-CABCVRRESA-N 2 1 316.405 0.601 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158029836 771715441 /nfs/dbraw/zinc/71/54/41/771715441.db2.gz LKOAKOXUWVQIRE-LSDHHAIUSA-N 2 1 322.453 0.259 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160273429 772018162 /nfs/dbraw/zinc/01/81/62/772018162.db2.gz MLRGZGUECOACAI-LSDHHAIUSA-N 2 1 324.469 0.647 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC12CCOCC2 ZINC001186553962 772053723 /nfs/dbraw/zinc/05/37/23/772053723.db2.gz YUTPAHRRRUBNIN-JKSUJKDBSA-N 2 1 319.449 0.416 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC12CCOCC2 ZINC001186560866 772055684 /nfs/dbraw/zinc/05/56/84/772055684.db2.gz JNXGQBHTAUNLGN-INIZCTEOSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001161232521 772187083 /nfs/dbraw/zinc/18/70/83/772187083.db2.gz VDWMBRVAIMSKQM-UHFFFAOYSA-N 2 1 311.426 0.102 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161649698 772259635 /nfs/dbraw/zinc/25/96/35/772259635.db2.gz SHQUFNNPYXREHW-OAHLLOKOSA-N 2 1 324.469 0.505 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001188158347 772277187 /nfs/dbraw/zinc/27/71/87/772277187.db2.gz LLXFVOAFKVHOMW-HUUCEWRRSA-N 2 1 322.453 0.304 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)(COC)CC1 ZINC001162356940 772365636 /nfs/dbraw/zinc/36/56/36/772365636.db2.gz QLIRGSVNAMFZGE-UHFFFAOYSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190776921 772677289 /nfs/dbraw/zinc/67/72/89/772677289.db2.gz RBIDHLRWSNBOJW-HOTGVXAUSA-N 2 1 309.454 0.755 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192189829 772882221 /nfs/dbraw/zinc/88/22/21/772882221.db2.gz IUMJFXBWMCJUEE-GOEBONIOSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192189829 772882225 /nfs/dbraw/zinc/88/22/25/772882225.db2.gz IUMJFXBWMCJUEE-GOEBONIOSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948012 772977137 /nfs/dbraw/zinc/97/71/37/772977137.db2.gz NKXZPSWROHKCJD-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)COC)CC1 ZINC001205479474 772994972 /nfs/dbraw/zinc/99/49/72/772994972.db2.gz NUIQPELDSROMKA-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)COC)CC1 ZINC001205479474 772994975 /nfs/dbraw/zinc/99/49/75/772994975.db2.gz NUIQPELDSROMKA-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193893023 773125728 /nfs/dbraw/zinc/12/57/28/773125728.db2.gz XGXJJBYKGVJLOW-ARFHVFGLSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321194 773174475 /nfs/dbraw/zinc/17/44/75/773174475.db2.gz MMKHICKHRCKYEU-HZPDHXFCSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321194 773174478 /nfs/dbraw/zinc/17/44/78/773174478.db2.gz MMKHICKHRCKYEU-HZPDHXFCSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321194 773174482 /nfs/dbraw/zinc/17/44/82/773174482.db2.gz MMKHICKHRCKYEU-HZPDHXFCSA-N 2 1 321.465 0.824 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207733926 773288026 /nfs/dbraw/zinc/28/80/26/773288026.db2.gz BBDYSNHQEHFEPO-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207733926 773288031 /nfs/dbraw/zinc/28/80/31/773288031.db2.gz BBDYSNHQEHFEPO-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208423744 773457753 /nfs/dbraw/zinc/45/77/53/773457753.db2.gz OJWIQFZFJNSMFP-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001208453123 773465859 /nfs/dbraw/zinc/46/58/59/773465859.db2.gz BAMHGQYWMQIVAJ-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208707960 773516906 /nfs/dbraw/zinc/51/69/06/773516906.db2.gz NYMFWDCHZAEUJI-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCN(CC[NH+]1CCN(CC[NH+](C)C)CC1)C(=O)OCC ZINC001209016476 773551867 /nfs/dbraw/zinc/55/18/67/773551867.db2.gz WMQSKNPTSDESGD-UHFFFAOYSA-N 2 1 312.458 0.810 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478187 773609165 /nfs/dbraw/zinc/60/91/65/773609165.db2.gz QLVAQFWYYDVTLY-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478187 773609167 /nfs/dbraw/zinc/60/91/67/773609167.db2.gz QLVAQFWYYDVTLY-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210492933 773714273 /nfs/dbraw/zinc/71/42/73/773714273.db2.gz GIFTYRFPHCVCRZ-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200549227 774365965 /nfs/dbraw/zinc/36/59/65/774365965.db2.gz ZVUXPGGCHHDMKA-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200636320 774382214 /nfs/dbraw/zinc/38/22/14/774382214.db2.gz YAFUYRBFJKNZGI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)COC)CC1 ZINC001201093584 774445440 /nfs/dbraw/zinc/44/54/40/774445440.db2.gz DVHQXXLOTHTWSK-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)COC)CC1 ZINC001201093584 774445443 /nfs/dbraw/zinc/44/54/43/774445443.db2.gz DVHQXXLOTHTWSK-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202116132 774603479 /nfs/dbraw/zinc/60/34/79/774603479.db2.gz SNYWZEBEGOTFII-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202116132 774603482 /nfs/dbraw/zinc/60/34/82/774603482.db2.gz SNYWZEBEGOTFII-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001202179422 774611496 /nfs/dbraw/zinc/61/14/96/774611496.db2.gz VCMVUCSVKMPDKF-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001202496522 774728215 /nfs/dbraw/zinc/72/82/15/774728215.db2.gz ULVQNSFWQPCSPU-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC#CCOC)C[C@H]21 ZINC001221969144 775237400 /nfs/dbraw/zinc/23/74/00/775237400.db2.gz SQUSPXJIYTURDW-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC#CCOC)C[C@H]21 ZINC001221969144 775237410 /nfs/dbraw/zinc/23/74/10/775237410.db2.gz SQUSPXJIYTURDW-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC#CCOC)C[C@H]21 ZINC001221969144 775237412 /nfs/dbraw/zinc/23/74/12/775237412.db2.gz SQUSPXJIYTURDW-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC#CCOC)C[C@H]21 ZINC001221969144 775237420 /nfs/dbraw/zinc/23/74/20/775237420.db2.gz SQUSPXJIYTURDW-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001227986664 776034716 /nfs/dbraw/zinc/03/47/16/776034716.db2.gz IUSHEXZLWPFXNP-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229908054 776235619 /nfs/dbraw/zinc/23/56/19/776235619.db2.gz FQFGGRLQAVYNEV-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001229908054 776235623 /nfs/dbraw/zinc/23/56/23/776235623.db2.gz FQFGGRLQAVYNEV-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835879 777530737 /nfs/dbraw/zinc/53/07/37/777530737.db2.gz XHQWKGUQWWBLHS-FUHWJXTLSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837251 777532805 /nfs/dbraw/zinc/53/28/05/777532805.db2.gz CNTWEZQDSWWDLP-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837251 777532809 /nfs/dbraw/zinc/53/28/09/777532809.db2.gz CNTWEZQDSWWDLP-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837251 777532813 /nfs/dbraw/zinc/53/28/13/777532813.db2.gz CNTWEZQDSWWDLP-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837251 777532818 /nfs/dbraw/zinc/53/28/18/777532818.db2.gz CNTWEZQDSWWDLP-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001278140131 945151910 /nfs/dbraw/zinc/15/19/10/945151910.db2.gz XZVKYXWTCQBIJS-HUUCEWRRSA-N 2 1 320.437 0.787 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317780267 945186377 /nfs/dbraw/zinc/18/63/77/945186377.db2.gz UGJUVTVXENFALX-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317780267 945186382 /nfs/dbraw/zinc/18/63/82/945186382.db2.gz UGJUVTVXENFALX-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317780267 945186386 /nfs/dbraw/zinc/18/63/86/945186386.db2.gz UGJUVTVXENFALX-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001317818742 945195888 /nfs/dbraw/zinc/19/58/88/945195888.db2.gz HJJSLSIKFRZVEU-INIZCTEOSA-N 2 1 308.470 0.282 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001266263256 939035217 /nfs/dbraw/zinc/03/52/17/939035217.db2.gz ZLLGGMNETWOJTN-KRWDZBQOSA-N 2 1 320.481 0.638 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266546332 939158844 /nfs/dbraw/zinc/15/88/44/939158844.db2.gz TXJXWOYHQOCYBN-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266546332 939158847 /nfs/dbraw/zinc/15/88/47/939158847.db2.gz TXJXWOYHQOCYBN-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266546332 939158850 /nfs/dbraw/zinc/15/88/50/939158850.db2.gz TXJXWOYHQOCYBN-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N[C@H](C)CC ZINC001266728803 939222265 /nfs/dbraw/zinc/22/22/65/939222265.db2.gz LVXROFAOXWIHSI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N[C@H](C)CC ZINC001266728803 939222268 /nfs/dbraw/zinc/22/22/68/939222268.db2.gz LVXROFAOXWIHSI-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267115252 939349404 /nfs/dbraw/zinc/34/94/04/939349404.db2.gz RMYFLFYYYXEZGU-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267115252 939349408 /nfs/dbraw/zinc/34/94/08/939349408.db2.gz RMYFLFYYYXEZGU-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267115252 939349413 /nfs/dbraw/zinc/34/94/13/939349413.db2.gz RMYFLFYYYXEZGU-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267115252 939349416 /nfs/dbraw/zinc/34/94/16/939349416.db2.gz RMYFLFYYYXEZGU-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001267154812 939361910 /nfs/dbraw/zinc/36/19/10/939361910.db2.gz LEIDXBYQMRMMRQ-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001267474272 939470627 /nfs/dbraw/zinc/47/06/27/939470627.db2.gz OJYLOWSXOKSLBF-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)N(CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480965029 939504100 /nfs/dbraw/zinc/50/41/00/939504100.db2.gz JXLAHOLZNRAYHP-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480965029 939504103 /nfs/dbraw/zinc/50/41/03/939504103.db2.gz JXLAHOLZNRAYHP-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480965029 939504105 /nfs/dbraw/zinc/50/41/05/939504105.db2.gz JXLAHOLZNRAYHP-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480965029 939504108 /nfs/dbraw/zinc/50/41/08/939504108.db2.gz JXLAHOLZNRAYHP-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267634323 939604413 /nfs/dbraw/zinc/60/44/13/939604413.db2.gz RFPHMXFOBJICNR-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267634323 939604415 /nfs/dbraw/zinc/60/44/15/939604415.db2.gz RFPHMXFOBJICNR-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267808991 939686882 /nfs/dbraw/zinc/68/68/82/939686882.db2.gz CLTQNYJSXWCTRR-KBPBESRZSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001267846416 939694072 /nfs/dbraw/zinc/69/40/72/939694072.db2.gz FOCGUVVGRSOSML-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001267846416 939694074 /nfs/dbraw/zinc/69/40/74/939694074.db2.gz FOCGUVVGRSOSML-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+]C[C@]1(NC(=O)CC[NH+]2CCOCC2)CCCC[C@@H]1C ZINC001267872391 939698198 /nfs/dbraw/zinc/69/81/98/939698198.db2.gz CHBCPNDZSSMVNA-FUHWJXTLSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001481470927 939885788 /nfs/dbraw/zinc/88/57/88/939885788.db2.gz KGPFVOGUAZAFLD-QGZVFWFLSA-N 2 1 322.497 0.816 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481506791 939906580 /nfs/dbraw/zinc/90/65/80/939906580.db2.gz KWAPCLYTSHTVDW-HOTGVXAUSA-N 2 1 307.438 0.368 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001268141674 939957377 /nfs/dbraw/zinc/95/73/77/939957377.db2.gz MPXLVNPLRHBJAT-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCCOC)C2)CC1 ZINC001481605034 939967020 /nfs/dbraw/zinc/96/70/20/939967020.db2.gz TYLCAJNULBCBSX-UHFFFAOYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCO)CC1 ZINC001270118040 940838494 /nfs/dbraw/zinc/83/84/94/940838494.db2.gz DYSNWVBAXYQCAC-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCO)CC1 ZINC001270118040 940838497 /nfs/dbraw/zinc/83/84/97/940838497.db2.gz DYSNWVBAXYQCAC-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001278437634 945366749 /nfs/dbraw/zinc/36/67/49/945366749.db2.gz GQZVDPGDVAREPT-RHSMWYFYSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001278437634 945366759 /nfs/dbraw/zinc/36/67/59/945366759.db2.gz GQZVDPGDVAREPT-RHSMWYFYSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278437634 945366775 /nfs/dbraw/zinc/36/67/75/945366775.db2.gz GQZVDPGDVAREPT-RHSMWYFYSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278437634 945366788 /nfs/dbraw/zinc/36/67/88/945366788.db2.gz GQZVDPGDVAREPT-RHSMWYFYSA-N 2 1 322.453 0.211 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001482404520 941211609 /nfs/dbraw/zinc/21/16/09/941211609.db2.gz OSDUCXZFMXHIGS-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001482404520 941211611 /nfs/dbraw/zinc/21/16/11/941211611.db2.gz OSDUCXZFMXHIGS-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001271152195 941292020 /nfs/dbraw/zinc/29/20/20/941292020.db2.gz KFEQIQCCEKAMEX-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001271152195 941292023 /nfs/dbraw/zinc/29/20/23/941292023.db2.gz KFEQIQCCEKAMEX-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001271152195 941292024 /nfs/dbraw/zinc/29/20/24/941292024.db2.gz KFEQIQCCEKAMEX-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001271175457 941313289 /nfs/dbraw/zinc/31/32/89/941313289.db2.gz PBFTXBPYJMWCNX-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001271201597 941320641 /nfs/dbraw/zinc/32/06/41/941320641.db2.gz SYKQWKZNVZGWLX-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271229814 941329952 /nfs/dbraw/zinc/32/99/52/941329952.db2.gz XHFAJURFRZLXKM-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]21 ZINC001271954213 941490477 /nfs/dbraw/zinc/49/04/77/941490477.db2.gz SDORMDLXQIHOAA-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]21 ZINC001271954213 941490480 /nfs/dbraw/zinc/49/04/80/941490480.db2.gz SDORMDLXQIHOAA-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271956064 941491617 /nfs/dbraw/zinc/49/16/17/941491617.db2.gz ATSUAJYEFAISHC-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001271956064 941491618 /nfs/dbraw/zinc/49/16/18/941491618.db2.gz ATSUAJYEFAISHC-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001271956064 941491619 /nfs/dbraw/zinc/49/16/19/941491619.db2.gz ATSUAJYEFAISHC-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001483236725 942093599 /nfs/dbraw/zinc/09/35/99/942093599.db2.gz RBPRJDNABLZNIR-HOCLYGCPSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001483236725 942093607 /nfs/dbraw/zinc/09/36/07/942093607.db2.gz RBPRJDNABLZNIR-HOCLYGCPSA-N 2 1 317.437 0.155 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484045385 943109533 /nfs/dbraw/zinc/10/95/33/943109533.db2.gz RDNARQOLNLDFIM-CKEIUWERSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484045385 943109535 /nfs/dbraw/zinc/10/95/35/943109535.db2.gz RDNARQOLNLDFIM-CKEIUWERSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484045385 943109538 /nfs/dbraw/zinc/10/95/38/943109538.db2.gz RDNARQOLNLDFIM-CKEIUWERSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484045385 943109540 /nfs/dbraw/zinc/10/95/40/943109540.db2.gz RDNARQOLNLDFIM-CKEIUWERSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CCCC)C2)CC1 ZINC001484312098 943314815 /nfs/dbraw/zinc/31/48/15/943314815.db2.gz UGILOTAXUDHNLT-UHFFFAOYSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001484450472 943395150 /nfs/dbraw/zinc/39/51/50/943395150.db2.gz NZGHKORTHQACSA-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP C=C(Cl)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001484483307 943419647 /nfs/dbraw/zinc/41/96/47/943419647.db2.gz IPGHPVVBRJYQMN-UONOGXRCSA-N 2 1 317.861 0.880 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@@H](C)O)CC1 ZINC001484810580 943584050 /nfs/dbraw/zinc/58/40/50/943584050.db2.gz CHJJVCJNQSDBII-CVEARBPZSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@@H](C)O)CC1 ZINC001484810580 943584054 /nfs/dbraw/zinc/58/40/54/943584054.db2.gz CHJJVCJNQSDBII-CVEARBPZSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001484872319 943607547 /nfs/dbraw/zinc/60/75/47/943607547.db2.gz ZAMQNUVRJPGCKE-CQSZACIVSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001484872319 943607548 /nfs/dbraw/zinc/60/75/48/943607548.db2.gz ZAMQNUVRJPGCKE-CQSZACIVSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001485066184 943675586 /nfs/dbraw/zinc/67/55/86/943675586.db2.gz UOSJZSNHBCEATP-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001485066184 943675590 /nfs/dbraw/zinc/67/55/90/943675590.db2.gz UOSJZSNHBCEATP-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001485066184 943675593 /nfs/dbraw/zinc/67/55/93/943675593.db2.gz UOSJZSNHBCEATP-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001485066184 943675600 /nfs/dbraw/zinc/67/56/00/943675600.db2.gz UOSJZSNHBCEATP-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001485078046 943684205 /nfs/dbraw/zinc/68/42/05/943684205.db2.gz RZBYJLJKZMCZOZ-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001485078046 943684210 /nfs/dbraw/zinc/68/42/10/943684210.db2.gz RZBYJLJKZMCZOZ-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491110126 943762763 /nfs/dbraw/zinc/76/27/63/943762763.db2.gz FEBVRZSFQVRVMN-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001491110126 943762766 /nfs/dbraw/zinc/76/27/66/943762766.db2.gz FEBVRZSFQVRVMN-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001491110126 943762768 /nfs/dbraw/zinc/76/27/68/943762768.db2.gz FEBVRZSFQVRVMN-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485247722 943775728 /nfs/dbraw/zinc/77/57/28/943775728.db2.gz YPYXVXXFUHLWCT-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001491235619 943854636 /nfs/dbraw/zinc/85/46/36/943854636.db2.gz FBEXJWRMJWBGHV-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001491370894 943945152 /nfs/dbraw/zinc/94/51/52/943945152.db2.gz GCUURTZIGXFCIF-KLAILNCOSA-N 2 1 321.465 0.995 20 30 DCEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485505531 943972507 /nfs/dbraw/zinc/97/25/07/943972507.db2.gz GDIXNRGBZUBBLE-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485505531 943972513 /nfs/dbraw/zinc/97/25/13/943972513.db2.gz GDIXNRGBZUBBLE-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001486027914 944508270 /nfs/dbraw/zinc/50/82/70/944508270.db2.gz QDSRZZYQSALSTC-HOCLYGCPSA-N 2 1 307.438 0.483 20 30 DCEDMP CC#CCN1CCN(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001316964716 944690618 /nfs/dbraw/zinc/69/06/18/944690618.db2.gz HOHMTNGUAGJUMW-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001316964716 944690626 /nfs/dbraw/zinc/69/06/26/944690626.db2.gz HOHMTNGUAGJUMW-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001316964716 944690631 /nfs/dbraw/zinc/69/06/31/944690631.db2.gz HOHMTNGUAGJUMW-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317117251 944805477 /nfs/dbraw/zinc/80/54/77/944805477.db2.gz GDMQGNFZTGPQPU-YIYPIFLZSA-N 2 1 308.426 0.008 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCOCC[N@H+](C)CC#CC)CC1 ZINC001277542084 944869770 /nfs/dbraw/zinc/86/97/70/944869770.db2.gz NQJZYTWQCAXFLO-UHFFFAOYSA-N 2 1 319.449 0.420 20 30 DCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001318731073 945434804 /nfs/dbraw/zinc/43/48/04/945434804.db2.gz XNNIVJUACGUFRI-NVXWUHKLSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001318731073 945434809 /nfs/dbraw/zinc/43/48/09/945434809.db2.gz XNNIVJUACGUFRI-NVXWUHKLSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCN1CC[N@@H+](C)C2(CCN([C@H]3CC[C@@H](C)[NH2+]C3)CC2)C1=O ZINC001246737007 945477147 /nfs/dbraw/zinc/47/71/47/945477147.db2.gz CPUVWEUFDSJZMN-CVEARBPZSA-N 2 1 320.481 0.922 20 30 DCEDMP C=CCN1CC[N@H+](C)C2(CCN([C@H]3CC[C@@H](C)[NH2+]C3)CC2)C1=O ZINC001246737007 945477151 /nfs/dbraw/zinc/47/71/51/945477151.db2.gz CPUVWEUFDSJZMN-CVEARBPZSA-N 2 1 320.481 0.922 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001319708590 945650334 /nfs/dbraw/zinc/65/03/34/945650334.db2.gz DSFCCBRWFVEENT-HOCLYGCPSA-N 2 1 318.421 0.668 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001278599795 945675766 /nfs/dbraw/zinc/67/57/66/945675766.db2.gz BSKYCJIOAMTPLM-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001320451264 945884237 /nfs/dbraw/zinc/88/42/37/945884237.db2.gz WFEQWHQEIPKXTG-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC)CCOCC1 ZINC001278710554 946104594 /nfs/dbraw/zinc/10/45/94/946104594.db2.gz AMPZOWAYFXEIRN-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC)CCOCC1 ZINC001278710554 946104599 /nfs/dbraw/zinc/10/45/99/946104599.db2.gz AMPZOWAYFXEIRN-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCOCC1 ZINC001278714969 946110331 /nfs/dbraw/zinc/11/03/31/946110331.db2.gz IIDVKLNPKSVFFE-UHFFFAOYSA-N 2 1 322.409 0.791 20 30 DCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001253576506 946131477 /nfs/dbraw/zinc/13/14/77/946131477.db2.gz FOJZOUINHLIKLA-BRWVUGGUSA-N 2 1 321.465 0.940 20 30 DCEDMP C=C(Cl)CN(C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001411172455 947436510 /nfs/dbraw/zinc/43/65/10/947436510.db2.gz WVCBMRIOHCWJOD-AWEZNQCLSA-N 2 1 317.861 0.974 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325109701 947659181 /nfs/dbraw/zinc/65/91/81/947659181.db2.gz GSDCLDSQPBYXHE-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109701 947659187 /nfs/dbraw/zinc/65/91/87/947659187.db2.gz GSDCLDSQPBYXHE-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109701 947659192 /nfs/dbraw/zinc/65/91/92/947659192.db2.gz GSDCLDSQPBYXHE-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1=O ZINC001262379721 947666012 /nfs/dbraw/zinc/66/60/12/947666012.db2.gz JYOCAZYRMVKKKR-AJNGGQMLSA-N 2 1 303.406 0.409 20 30 DCEDMP C#CC[NH2+]CC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001263098201 947808951 /nfs/dbraw/zinc/80/89/51/947808951.db2.gz VTCYWZMJFYWHFC-IYBDPMFKSA-N 2 1 306.454 0.226 20 30 DCEDMP C=C[C@@H](COC)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001325635656 947862481 /nfs/dbraw/zinc/86/24/81/947862481.db2.gz WWAHMPVBEUMBPO-AWEZNQCLSA-N 2 1 312.458 0.855 20 30 DCEDMP C=C[C@@H](COC)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001325635656 947862488 /nfs/dbraw/zinc/86/24/88/947862488.db2.gz WWAHMPVBEUMBPO-AWEZNQCLSA-N 2 1 312.458 0.855 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001325783784 947922489 /nfs/dbraw/zinc/92/24/89/947922489.db2.gz HMDDRJQRTRDABT-MRXNPFEDSA-N 2 1 306.454 0.274 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001273496063 947925499 /nfs/dbraw/zinc/92/54/99/947925499.db2.gz SDYLAPOJQBAHNA-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273496063 947925505 /nfs/dbraw/zinc/92/55/05/947925505.db2.gz SDYLAPOJQBAHNA-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001273496063 947925507 /nfs/dbraw/zinc/92/55/07/947925507.db2.gz SDYLAPOJQBAHNA-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325836687 947943879 /nfs/dbraw/zinc/94/38/79/947943879.db2.gz UOHFWIASVUHRKC-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325836687 947943889 /nfs/dbraw/zinc/94/38/89/947943889.db2.gz UOHFWIASVUHRKC-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325836687 947943893 /nfs/dbraw/zinc/94/38/93/947943893.db2.gz UOHFWIASVUHRKC-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001327602885 948566532 /nfs/dbraw/zinc/56/65/32/948566532.db2.gz IPAOMGUYTKQSGU-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001327645878 948582898 /nfs/dbraw/zinc/58/28/98/948582898.db2.gz PTWFOCJCFKQNQH-UHFFFAOYSA-N 2 1 304.394 0.470 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001328354455 948850967 /nfs/dbraw/zinc/85/09/67/948850967.db2.gz SYPFPGOSNGWZBH-ZNMIVQPWSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001328354455 948850982 /nfs/dbraw/zinc/85/09/82/948850982.db2.gz SYPFPGOSNGWZBH-ZNMIVQPWSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265308278 949581754 /nfs/dbraw/zinc/58/17/54/949581754.db2.gz PPOBNBFQTDDSOW-OAHLLOKOSA-N 2 1 311.426 0.102 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265308278 949581773 /nfs/dbraw/zinc/58/17/73/949581773.db2.gz PPOBNBFQTDDSOW-OAHLLOKOSA-N 2 1 311.426 0.102 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329500683 949641147 /nfs/dbraw/zinc/64/11/47/949641147.db2.gz KYYJXPXYCIFSBZ-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001265444644 949692996 /nfs/dbraw/zinc/69/29/96/949692996.db2.gz ZTUJHTTXPJICRF-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001265505108 949732971 /nfs/dbraw/zinc/73/29/71/949732971.db2.gz VZWAWEUKTFOOMF-KKUMJFAQSA-N 2 1 322.453 0.352 20 30 DCEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001330159370 950156798 /nfs/dbraw/zinc/15/67/98/950156798.db2.gz FXUXQOFKDRACOG-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](CC)OC)C1 ZINC001330609708 950545262 /nfs/dbraw/zinc/54/52/62/950545262.db2.gz FRJDAXDTKHZQEH-VQHPVUNQSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](CC)OC)C1 ZINC001330609708 950545280 /nfs/dbraw/zinc/54/52/80/950545280.db2.gz FRJDAXDTKHZQEH-VQHPVUNQSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001279530461 950621182 /nfs/dbraw/zinc/62/11/82/950621182.db2.gz UVJHENHMRQEHOY-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001279530461 950621195 /nfs/dbraw/zinc/62/11/95/950621195.db2.gz UVJHENHMRQEHOY-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP Cc1[nH+]ccn1CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001330866028 950720916 /nfs/dbraw/zinc/72/09/16/950720916.db2.gz GBLIEZRVEPNRIK-NPCAHTBFSA-N 2 1 301.394 0.837 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001280691972 951040233 /nfs/dbraw/zinc/04/02/33/951040233.db2.gz MUGPVQLCBCSBKL-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001331439014 951119989 /nfs/dbraw/zinc/11/99/89/951119989.db2.gz LNSLIKJAUBIPEV-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001331804302 951329992 /nfs/dbraw/zinc/32/99/92/951329992.db2.gz ILXBQOTUFIVHJX-CQSZACIVSA-N 2 1 315.377 0.524 20 30 DCEDMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CCCC#N)C2)C1=O ZINC001274039724 951351572 /nfs/dbraw/zinc/35/15/72/951351572.db2.gz LJZBRLDVCLXUBU-INIZCTEOSA-N 2 1 306.410 0.693 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001332199424 951517856 /nfs/dbraw/zinc/51/78/56/951517856.db2.gz OZQZLWKZWQDSBG-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001332199424 951517865 /nfs/dbraw/zinc/51/78/65/951517865.db2.gz OZQZLWKZWQDSBG-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001332199423 951518143 /nfs/dbraw/zinc/51/81/43/951518143.db2.gz OZQZLWKZWQDSBG-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001332199423 951518150 /nfs/dbraw/zinc/51/81/50/951518150.db2.gz OZQZLWKZWQDSBG-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001281612626 951562803 /nfs/dbraw/zinc/56/28/03/951562803.db2.gz DLXAGTKQVKLMIV-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CCN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320000554 951592374 /nfs/dbraw/zinc/59/23/74/951592374.db2.gz UFFHIUWHGPUQAP-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001320000554 951592384 /nfs/dbraw/zinc/59/23/84/951592384.db2.gz UFFHIUWHGPUQAP-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001320000554 951592393 /nfs/dbraw/zinc/59/23/93/951592393.db2.gz UFFHIUWHGPUQAP-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320000554 951592400 /nfs/dbraw/zinc/59/24/00/951592400.db2.gz UFFHIUWHGPUQAP-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320000554 951592408 /nfs/dbraw/zinc/59/24/08/951592408.db2.gz UFFHIUWHGPUQAP-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001332390208 951627200 /nfs/dbraw/zinc/62/72/00/951627200.db2.gz DRZGHNCEDBXSFY-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001274617240 951744019 /nfs/dbraw/zinc/74/40/19/951744019.db2.gz WGXNXPVPKUMHML-IAGOWNOFSA-N 2 1 318.421 0.782 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284066581 954825972 /nfs/dbraw/zinc/82/59/72/954825972.db2.gz HLYWRPVHYUAOON-WMZOPIPTSA-N 2 1 319.449 0.845 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284066581 954825980 /nfs/dbraw/zinc/82/59/80/954825980.db2.gz HLYWRPVHYUAOON-WMZOPIPTSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284067784 954826046 /nfs/dbraw/zinc/82/60/46/954826046.db2.gz MNWPIGCYVQRXFU-SJLPKXTDSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284067784 954826053 /nfs/dbraw/zinc/82/60/53/954826053.db2.gz MNWPIGCYVQRXFU-SJLPKXTDSA-N 2 1 319.449 0.845 20 30 DCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001284501388 955133321 /nfs/dbraw/zinc/13/33/21/955133321.db2.gz CUGDAPOPEGETPL-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001491808181 959321273 /nfs/dbraw/zinc/32/12/73/959321273.db2.gz HWXLDSYOAQUPBP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCCO)C2)CC1 ZINC001491965800 959455027 /nfs/dbraw/zinc/45/50/27/959455027.db2.gz UAPVJXHQDJHNEA-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OCC ZINC001316688912 960033606 /nfs/dbraw/zinc/03/36/06/960033606.db2.gz WXKWJXBUQNGDQA-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317521861 960267502 /nfs/dbraw/zinc/26/75/02/960267502.db2.gz FKDNSEWNLYJGTE-WBVHZDCISA-N 2 1 321.465 0.969 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001369383177 964865662 /nfs/dbraw/zinc/86/56/62/964865662.db2.gz MOJNEXHNYHNZLU-CVEARBPZSA-N 2 1 316.405 0.077 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001506574291 1017370301 /nfs/dbraw/zinc/37/03/01/1017370301.db2.gz WAMOOBMWRASCFD-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001376260195 965449723 /nfs/dbraw/zinc/44/97/23/965449723.db2.gz PIWSQIYLHMODFZ-CQSZACIVSA-N 2 1 315.845 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=C)C ZINC001507649382 1016506992 /nfs/dbraw/zinc/50/69/92/1016506992.db2.gz OPMZYFAADHCWLM-HOTGVXAUSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=C)C ZINC001507649382 1016507007 /nfs/dbraw/zinc/50/70/07/1016507007.db2.gz OPMZYFAADHCWLM-HOTGVXAUSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC(=C)C ZINC001507649382 1016507020 /nfs/dbraw/zinc/50/70/20/1016507020.db2.gz OPMZYFAADHCWLM-HOTGVXAUSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC(=C)C ZINC001507649382 1016507029 /nfs/dbraw/zinc/50/70/29/1016507029.db2.gz OPMZYFAADHCWLM-HOTGVXAUSA-N 2 1 307.438 0.411 20 30 DCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)CCCCN1CCOCC1 ZINC001506021846 1016894640 /nfs/dbraw/zinc/89/46/40/1016894640.db2.gz QFYHPVDDXXDYLZ-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001506021846 1016894663 /nfs/dbraw/zinc/89/46/63/1016894663.db2.gz QFYHPVDDXXDYLZ-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001438993342 1006334345 /nfs/dbraw/zinc/33/43/45/1006334345.db2.gz JOPBZQIRHQSGBZ-OLZOCXBDSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001439890507 1007289070 /nfs/dbraw/zinc/28/90/70/1007289070.db2.gz SYXYERDGPLRZQG-UKRRQHHQSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001439890507 1007289074 /nfs/dbraw/zinc/28/90/74/1007289074.db2.gz SYXYERDGPLRZQG-UKRRQHHQSA-N 2 1 315.845 0.898 20 30 DCEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCC#CC[NH+](C)C)C2)CC1 ZINC001564077744 1012518915 /nfs/dbraw/zinc/51/89/15/1012518915.db2.gz ULKJVNQCSGYGHT-HNNXBMFYSA-N 2 1 321.469 0.019 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001564077744 1012518930 /nfs/dbraw/zinc/51/89/30/1012518930.db2.gz ULKJVNQCSGYGHT-HNNXBMFYSA-N 2 1 321.469 0.019 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001506678765 1017459358 /nfs/dbraw/zinc/45/93/58/1017459358.db2.gz KYIMGVSFHOACES-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC#CCOC)CC2)C1 ZINC001499324750 1017851413 /nfs/dbraw/zinc/85/14/13/1017851413.db2.gz NDJJDTLFSBFOEF-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001499538953 1017964918 /nfs/dbraw/zinc/96/49/18/1017964918.db2.gz UODQFDISVHBSQX-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001499538953 1017964925 /nfs/dbraw/zinc/96/49/25/1017964925.db2.gz UODQFDISVHBSQX-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001499538953 1017964934 /nfs/dbraw/zinc/96/49/34/1017964934.db2.gz UODQFDISVHBSQX-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001479939701 1018011355 /nfs/dbraw/zinc/01/13/55/1018011355.db2.gz DXTGBKAEIAUKRA-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001479939701 1018011369 /nfs/dbraw/zinc/01/13/69/1018011369.db2.gz DXTGBKAEIAUKRA-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001480139622 1018245562 /nfs/dbraw/zinc/24/55/62/1018245562.db2.gz YDZYGURMYKIDIX-BZUAXINKSA-N 2 1 307.438 0.746 20 30 DCEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001500686805 1018578763 /nfs/dbraw/zinc/57/87/63/1018578763.db2.gz LVKZWKUNHDEQOF-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001500686805 1018578772 /nfs/dbraw/zinc/57/87/72/1018578772.db2.gz LVKZWKUNHDEQOF-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001500686805 1018578784 /nfs/dbraw/zinc/57/87/84/1018578784.db2.gz LVKZWKUNHDEQOF-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001500695182 1018585966 /nfs/dbraw/zinc/58/59/66/1018585966.db2.gz HDNYGPNLCAQNDT-SJLPKXTDSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001500695182 1018585978 /nfs/dbraw/zinc/58/59/78/1018585978.db2.gz HDNYGPNLCAQNDT-SJLPKXTDSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001500695182 1018585990 /nfs/dbraw/zinc/58/59/90/1018585990.db2.gz HDNYGPNLCAQNDT-SJLPKXTDSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500725845 1018611644 /nfs/dbraw/zinc/61/16/44/1018611644.db2.gz VJRFBWNHSFLCCI-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500725845 1018611650 /nfs/dbraw/zinc/61/16/50/1018611650.db2.gz VJRFBWNHSFLCCI-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500725845 1018611654 /nfs/dbraw/zinc/61/16/54/1018611654.db2.gz VJRFBWNHSFLCCI-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001501359492 1019094670 /nfs/dbraw/zinc/09/46/70/1019094670.db2.gz DKNBPXOLCOSLQF-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001501359492 1019094685 /nfs/dbraw/zinc/09/46/85/1019094685.db2.gz DKNBPXOLCOSLQF-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001501359492 1019094698 /nfs/dbraw/zinc/09/46/98/1019094698.db2.gz DKNBPXOLCOSLQF-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494172245 1020039459 /nfs/dbraw/zinc/03/94/59/1020039459.db2.gz NRVPJQHQOGXYIN-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001494167760 1020042529 /nfs/dbraw/zinc/04/25/29/1020042529.db2.gz VYNSKKOHLNPWMC-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001494167760 1020042541 /nfs/dbraw/zinc/04/25/41/1020042541.db2.gz VYNSKKOHLNPWMC-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598718075 397283678 /nfs/dbraw/zinc/28/36/78/397283678.db2.gz CCEMJDUTIGNJFQ-OAHLLOKOSA-N 2 1 324.469 0.819 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441060 397550978 /nfs/dbraw/zinc/55/09/78/397550978.db2.gz LWCXIOUIEAPXJW-HUUCEWRRSA-N 2 1 310.442 0.871 20 30 DCEDMP C[NH+](C)C1(CNC(=[NH2+])N2CCOCC2)Cc2ccccc2C1 ZINC000267447662 415143960 /nfs/dbraw/zinc/14/39/60/415143960.db2.gz QMIVDMBTXUDIJL-UHFFFAOYSA-N 2 1 302.422 0.733 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000114181189 415722080 /nfs/dbraw/zinc/72/20/80/415722080.db2.gz ZBSOQARDBQRCOP-MRXNPFEDSA-N 2 1 320.481 0.331 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000150715035 415962882 /nfs/dbraw/zinc/96/28/82/415962882.db2.gz XHQJVDPFWYZMSJ-HNNXBMFYSA-N 2 1 307.438 0.416 20 30 DCEDMP CCO[C@H]1C[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C12CCC2 ZINC000304777527 416102449 /nfs/dbraw/zinc/10/24/49/416102449.db2.gz DPNRPJKHONYQLF-GJZGRUSLSA-N 2 1 324.469 0.961 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000329385693 416166642 /nfs/dbraw/zinc/16/66/42/416166642.db2.gz QAEPRJYITPLSCK-KBPBESRZSA-N 2 1 310.442 0.549 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000329385693 416166645 /nfs/dbraw/zinc/16/66/45/416166645.db2.gz QAEPRJYITPLSCK-KBPBESRZSA-N 2 1 310.442 0.549 20 30 DCEDMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000329774641 416190765 /nfs/dbraw/zinc/19/07/65/416190765.db2.gz MJFLWQVEOLMVRC-KFWWJZLASA-N 2 1 311.474 0.465 20 30 DCEDMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000329774641 416190767 /nfs/dbraw/zinc/19/07/67/416190767.db2.gz MJFLWQVEOLMVRC-KFWWJZLASA-N 2 1 311.474 0.465 20 30 DCEDMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000329774641 416190771 /nfs/dbraw/zinc/19/07/71/416190771.db2.gz MJFLWQVEOLMVRC-KFWWJZLASA-N 2 1 311.474 0.465 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000329294081 416162419 /nfs/dbraw/zinc/16/24/19/416162419.db2.gz RTRUFJQGEYPIFG-HZSPNIEDSA-N 2 1 310.442 0.524 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000329294081 416162422 /nfs/dbraw/zinc/16/24/22/416162422.db2.gz RTRUFJQGEYPIFG-HZSPNIEDSA-N 2 1 310.442 0.524 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@](CC)(CO)C2)CC1 ZINC000491044239 416583426 /nfs/dbraw/zinc/58/34/26/416583426.db2.gz GJZDDWNNIKKMME-QGZVFWFLSA-N 2 1 307.438 0.248 20 30 DCEDMP C#CCN1CCN(C(=O)CN2CCC[C@@](CC)(CO)C2)CC1 ZINC000491044239 416583429 /nfs/dbraw/zinc/58/34/29/416583429.db2.gz GJZDDWNNIKKMME-QGZVFWFLSA-N 2 1 307.438 0.248 20 30 DCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424154716 416618972 /nfs/dbraw/zinc/61/89/72/416618972.db2.gz LTUULTHHNOOUJG-KGLIPLIRSA-N 2 1 323.441 0.066 20 30 DCEDMP C=C[C@H](CO)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662168126 418386452 /nfs/dbraw/zinc/38/64/52/418386452.db2.gz UWFILAPKBMMEDZ-OIISXLGYSA-N 2 1 317.433 0.902 20 30 DCEDMP C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000330226340 336126795 /nfs/dbraw/zinc/12/67/95/336126795.db2.gz OSKCONXXPCEDCR-CVEARBPZSA-N 2 1 324.469 0.916 20 30 DCEDMP C[NH+]=C(NCc1nccn1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261651293 526391728 /nfs/dbraw/zinc/39/17/28/526391728.db2.gz FCVQFDFETSUJFY-CQSZACIVSA-N 2 1 320.441 0.150 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000377370990 526926705 /nfs/dbraw/zinc/92/67/05/526926705.db2.gz BBAJHBZUWMDSLA-HOTGVXAUSA-N 2 1 305.422 0.311 20 30 DCEDMP CCNC(NCc1cccnc1N1CC[NH+](C)CC1)=[NH+]CC ZINC000264070907 528007309 /nfs/dbraw/zinc/00/73/09/528007309.db2.gz DCGHVJMKRUSWGJ-UHFFFAOYSA-N 2 1 304.442 0.908 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978171541 660493843 /nfs/dbraw/zinc/49/38/43/660493843.db2.gz ASROVZMJKYYWSH-LUKYLMHMSA-N 2 1 301.434 0.646 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978737576 660593807 /nfs/dbraw/zinc/59/38/07/660593807.db2.gz PXVGKNVRIVMUHL-DZUCGIPZSA-N 2 1 312.417 0.681 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978737576 660593809 /nfs/dbraw/zinc/59/38/09/660593809.db2.gz PXVGKNVRIVMUHL-DZUCGIPZSA-N 2 1 312.417 0.681 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001022220713 657566429 /nfs/dbraw/zinc/56/64/29/657566429.db2.gz LGQKDLILRSHXFL-NCOADZHNSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001022220713 657566436 /nfs/dbraw/zinc/56/64/36/657566436.db2.gz LGQKDLILRSHXFL-NCOADZHNSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001022221079 657567647 /nfs/dbraw/zinc/56/76/47/657567647.db2.gz WUPVFUYOWAZQID-YVSFHVDLSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001022221079 657567653 /nfs/dbraw/zinc/56/76/53/657567653.db2.gz WUPVFUYOWAZQID-YVSFHVDLSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001022222219 657570722 /nfs/dbraw/zinc/57/07/22/657570722.db2.gz VSSOLHOKSQRFCT-TWMKSMIVSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001022222219 657570727 /nfs/dbraw/zinc/57/07/27/657570727.db2.gz VSSOLHOKSQRFCT-TWMKSMIVSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000971789565 657672916 /nfs/dbraw/zinc/67/29/16/657672916.db2.gz PFDXCZYUSMZFBZ-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCCN1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552648 657764689 /nfs/dbraw/zinc/76/46/89/657764689.db2.gz QQPRDBGIQAFGBR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552648 657764694 /nfs/dbraw/zinc/76/46/94/657764694.db2.gz QQPRDBGIQAFGBR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552648 657764700 /nfs/dbraw/zinc/76/47/00/657764700.db2.gz QQPRDBGIQAFGBR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972552648 657764711 /nfs/dbraw/zinc/76/47/11/657764711.db2.gz QQPRDBGIQAFGBR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023499754 657936202 /nfs/dbraw/zinc/93/62/02/657936202.db2.gz GIJKMXXEOWXXBG-VUGNNNGISA-N 2 1 317.433 0.311 20 30 DCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500423 657936266 /nfs/dbraw/zinc/93/62/66/657936266.db2.gz UFGVSOAWMZSXCI-JBCIKUTRSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555646 658799298 /nfs/dbraw/zinc/79/92/98/658799298.db2.gz IBNURFHWYFFEMA-AWEZNQCLSA-N 2 1 303.410 0.224 20 30 DCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027440773 659480302 /nfs/dbraw/zinc/48/03/02/659480302.db2.gz KKHZQUUBJARECK-HZPDHXFCSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027440773 659480305 /nfs/dbraw/zinc/48/03/05/659480305.db2.gz KKHZQUUBJARECK-HZPDHXFCSA-N 2 1 317.437 0.369 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799090 659565730 /nfs/dbraw/zinc/56/57/30/659565730.db2.gz UYDPBWZGEIHWJA-ZOFXXKQRSA-N 2 1 319.449 0.862 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025799090 659565735 /nfs/dbraw/zinc/56/57/35/659565735.db2.gz UYDPBWZGEIHWJA-ZOFXXKQRSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150397 661298532 /nfs/dbraw/zinc/29/85/32/661298532.db2.gz DWOYPUTUFFMUKD-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)C[C@H]1CCOC1 ZINC000261612247 661322417 /nfs/dbraw/zinc/32/24/17/661322417.db2.gz FYERINAETXWIKS-HUUCEWRRSA-N 2 1 311.474 0.166 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698174 661764765 /nfs/dbraw/zinc/76/47/65/661764765.db2.gz BRRSNNHESLTZJW-UERKLNTKSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028757786 661808732 /nfs/dbraw/zinc/80/87/32/661808732.db2.gz JFFXJTKQPGGEQP-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757786 661808734 /nfs/dbraw/zinc/80/87/34/661808734.db2.gz JFFXJTKQPGGEQP-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757786 661808735 /nfs/dbraw/zinc/80/87/35/661808735.db2.gz JFFXJTKQPGGEQP-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C[NH+]=C(NCCN1CCSCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262820027 662585817 /nfs/dbraw/zinc/58/58/17/662585817.db2.gz XUZOSQXBDVMEME-ZDUSSCGKSA-N 2 1 311.499 0.437 20 30 DCEDMP C[NH+]=C(NCCN1CCSCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262820027 662585819 /nfs/dbraw/zinc/58/58/19/662585819.db2.gz XUZOSQXBDVMEME-ZDUSSCGKSA-N 2 1 311.499 0.437 20 30 DCEDMP C#CCOCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000753384827 662789097 /nfs/dbraw/zinc/78/90/97/662789097.db2.gz SFSFIOYXNSTAPQ-MRXNPFEDSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000714791 665920979 /nfs/dbraw/zinc/92/09/79/665920979.db2.gz NDNSZWCUEYSTSY-DLBZAZTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000714791 665920980 /nfs/dbraw/zinc/92/09/80/665920980.db2.gz NDNSZWCUEYSTSY-DLBZAZTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000714791 665920981 /nfs/dbraw/zinc/92/09/81/665920981.db2.gz NDNSZWCUEYSTSY-DLBZAZTESA-N 2 1 317.433 0.621 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000901105579 663322940 /nfs/dbraw/zinc/32/29/40/663322940.db2.gz GJCXDWMELMLPOB-OAHLLOKOSA-N 2 1 322.453 0.259 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCO)[C@H]2C)CC1 ZINC000994495747 665116330 /nfs/dbraw/zinc/11/63/30/665116330.db2.gz GRYVWCOGUYXZAS-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC)C2)CC1 ZINC000941440763 665999068 /nfs/dbraw/zinc/99/90/68/665999068.db2.gz QCVNAUFERUNMOR-KRWDZBQOSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC)C2)CC1 ZINC000941440763 665999070 /nfs/dbraw/zinc/99/90/70/665999070.db2.gz QCVNAUFERUNMOR-KRWDZBQOSA-N 2 1 318.465 0.322 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941567538 666020466 /nfs/dbraw/zinc/02/04/66/666020466.db2.gz VXYXFRBVDUGMDT-WBVHZDCISA-N 2 1 320.481 0.589 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567538 666020467 /nfs/dbraw/zinc/02/04/67/666020467.db2.gz VXYXFRBVDUGMDT-WBVHZDCISA-N 2 1 320.481 0.589 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942056434 666103920 /nfs/dbraw/zinc/10/39/20/666103920.db2.gz HCHFMNDTDPKBDO-CABCVRRESA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922629692 666498847 /nfs/dbraw/zinc/49/88/47/666498847.db2.gz YLNHDRXZKLMNRT-HUUCEWRRSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922629692 666498850 /nfs/dbraw/zinc/49/88/50/666498850.db2.gz YLNHDRXZKLMNRT-HUUCEWRRSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922629692 666498851 /nfs/dbraw/zinc/49/88/51/666498851.db2.gz YLNHDRXZKLMNRT-HUUCEWRRSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001033357575 666691180 /nfs/dbraw/zinc/69/11/80/666691180.db2.gz IFSGURWQBSVJMS-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357575 666691181 /nfs/dbraw/zinc/69/11/81/666691181.db2.gz IFSGURWQBSVJMS-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357575 666691182 /nfs/dbraw/zinc/69/11/82/666691182.db2.gz IFSGURWQBSVJMS-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357575 666691184 /nfs/dbraw/zinc/69/11/84/666691184.db2.gz IFSGURWQBSVJMS-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357575 666691185 /nfs/dbraw/zinc/69/11/85/666691185.db2.gz IFSGURWQBSVJMS-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069669 666737141 /nfs/dbraw/zinc/73/71/41/666737141.db2.gz KLHMMWUNYRVABR-NWPKHEMWSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000996668305 666852513 /nfs/dbraw/zinc/85/25/13/666852513.db2.gz CSSVYVZHFMFSQB-KRWDZBQOSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000996673310 666854672 /nfs/dbraw/zinc/85/46/72/666854672.db2.gz VVGXRSJIJGPQMD-OAHLLOKOSA-N 2 1 303.410 0.027 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824517 666938094 /nfs/dbraw/zinc/93/80/94/666938094.db2.gz QXCMFWYTRQZPNP-CALCHBBNSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824517 666938097 /nfs/dbraw/zinc/93/80/97/666938097.db2.gz QXCMFWYTRQZPNP-CALCHBBNSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCO)C2)CC1 ZINC001034539142 667065293 /nfs/dbraw/zinc/06/52/93/667065293.db2.gz VYVLNKKGJOOJMW-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035412883 667337079 /nfs/dbraw/zinc/33/70/79/667337079.db2.gz YEVLUIHOZPAVLX-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035412883 667337080 /nfs/dbraw/zinc/33/70/80/667337080.db2.gz YEVLUIHOZPAVLX-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC001035712669 667403020 /nfs/dbraw/zinc/40/30/20/667403020.db2.gz KOWZSIIALPNQEH-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000889775206 667995800 /nfs/dbraw/zinc/99/58/00/667995800.db2.gz UNMIXIAMIYIFNA-IAGOWNOFSA-N 2 1 319.449 0.389 20 30 DCEDMP C=CCN(CC=C)C(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779645351 668922931 /nfs/dbraw/zinc/92/29/31/668922931.db2.gz GGVAXOGPCJEVOR-CQSZACIVSA-N 2 1 324.425 0.795 20 30 DCEDMP C=CCN(CC=C)C(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779645351 668922936 /nfs/dbraw/zinc/92/29/36/668922936.db2.gz GGVAXOGPCJEVOR-CQSZACIVSA-N 2 1 324.425 0.795 20 30 DCEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484479 669210971 /nfs/dbraw/zinc/21/09/71/669210971.db2.gz TWVFSOQBIQDTTN-CQSZACIVSA-N 2 1 310.442 0.383 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000947795414 670012917 /nfs/dbraw/zinc/01/29/17/670012917.db2.gz CJDSAACFEOMMTM-GOEBONIOSA-N 2 1 317.437 0.661 20 30 DCEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC000949051308 670247685 /nfs/dbraw/zinc/24/76/85/670247685.db2.gz FVPJAWVTJVRDPM-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC000949509977 670357464 /nfs/dbraw/zinc/35/74/64/670357464.db2.gz ZTFQQBDQNWTCJU-UHFFFAOYSA-N 2 1 318.421 0.842 20 30 DCEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC000949509977 670357467 /nfs/dbraw/zinc/35/74/67/670357467.db2.gz ZTFQQBDQNWTCJU-UHFFFAOYSA-N 2 1 318.421 0.842 20 30 DCEDMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC000858136988 670973732 /nfs/dbraw/zinc/97/37/32/670973732.db2.gz BZMWRSXEYDFOOZ-TZFAWSOVSA-N 2 1 306.410 0.975 20 30 DCEDMP C#C[C@](C)(CC)[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000852098484 671087579 /nfs/dbraw/zinc/08/75/79/671087579.db2.gz OMNZHJXRIDTRCH-DOTOQJQBSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC001020250512 693745526 /nfs/dbraw/zinc/74/55/26/693745526.db2.gz GXZGKOORHDHNHH-DZKIICNBSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC001020250512 693745528 /nfs/dbraw/zinc/74/55/28/693745528.db2.gz GXZGKOORHDHNHH-DZKIICNBSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCO)CC1 ZINC001024811990 693836009 /nfs/dbraw/zinc/83/60/09/693836009.db2.gz IMVSVBCGDSUIED-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1cccnc1 ZINC000303888352 685208081 /nfs/dbraw/zinc/20/80/81/685208081.db2.gz LIPITEISDNQWHU-AWEZNQCLSA-N 2 1 318.425 0.200 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958555760 687742253 /nfs/dbraw/zinc/74/22/53/687742253.db2.gz NNXJHPIRKKJJGG-CVEARBPZSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958598067 687785902 /nfs/dbraw/zinc/78/59/02/687785902.db2.gz HOXOZEZNHNLCIY-DOMZBBRYSA-N 2 1 304.394 0.356 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717406 687871382 /nfs/dbraw/zinc/87/13/82/687871382.db2.gz QIGQRDFATPXUDS-DLBZAZTESA-N 2 1 317.433 0.957 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCC=C)C[C@@H]2O)CC1 ZINC000958725175 687877725 /nfs/dbraw/zinc/87/77/25/687877725.db2.gz WHMRZNWDAFFPRY-IRXDYDNUSA-N 2 1 319.449 0.317 20 30 DCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073434004 694726387 /nfs/dbraw/zinc/72/63/87/694726387.db2.gz ZHOJKDWJIZJFRY-OAHLLOKOSA-N 2 1 307.438 0.675 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760863 694661465 /nfs/dbraw/zinc/66/14/65/694661465.db2.gz QZJHUWIWKCESIL-GJZGRUSLSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760863 694661466 /nfs/dbraw/zinc/66/14/66/694661466.db2.gz QZJHUWIWKCESIL-GJZGRUSLSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760863 694661467 /nfs/dbraw/zinc/66/14/67/694661467.db2.gz QZJHUWIWKCESIL-GJZGRUSLSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)COC)C2 ZINC001072822415 694670551 /nfs/dbraw/zinc/67/05/51/694670551.db2.gz GCWGIDOKHSBEMS-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)COC)C2 ZINC001072822415 694670552 /nfs/dbraw/zinc/67/05/52/694670552.db2.gz GCWGIDOKHSBEMS-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)COC)C2 ZINC001072822415 694670553 /nfs/dbraw/zinc/67/05/53/694670553.db2.gz GCWGIDOKHSBEMS-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)COC)C2 ZINC001072822415 694670554 /nfs/dbraw/zinc/67/05/54/694670554.db2.gz GCWGIDOKHSBEMS-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073443382 694727614 /nfs/dbraw/zinc/72/76/14/694727614.db2.gz MUKDZBLTPSBYRL-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073443382 694727615 /nfs/dbraw/zinc/72/76/15/694727615.db2.gz MUKDZBLTPSBYRL-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443382 694727616 /nfs/dbraw/zinc/72/76/16/694727616.db2.gz MUKDZBLTPSBYRL-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443382 694727618 /nfs/dbraw/zinc/72/76/18/694727618.db2.gz MUKDZBLTPSBYRL-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073661778 694761626 /nfs/dbraw/zinc/76/16/26/694761626.db2.gz COOWSAINBFFUKK-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661778 694761627 /nfs/dbraw/zinc/76/16/27/694761627.db2.gz COOWSAINBFFUKK-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661778 694761629 /nfs/dbraw/zinc/76/16/29/694761629.db2.gz COOWSAINBFFUKK-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001570426980 1162511749 /nfs/dbraw/zinc/51/17/49/1162511749.db2.gz FIIHESJPSGCSCR-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001570715418 1162596570 /nfs/dbraw/zinc/59/65/70/1162596570.db2.gz CKDLAPASXKSUMB-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001570715418 1162596561 /nfs/dbraw/zinc/59/65/61/1162596561.db2.gz CKDLAPASXKSUMB-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CCO)C(C)C ZINC001570774480 1162619220 /nfs/dbraw/zinc/61/92/20/1162619220.db2.gz GIBSOAVFLLGVJS-HOTGVXAUSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CCO)C(C)C ZINC001570774480 1162619222 /nfs/dbraw/zinc/61/92/22/1162619222.db2.gz GIBSOAVFLLGVJS-HOTGVXAUSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001571001487 1162665973 /nfs/dbraw/zinc/66/59/73/1162665973.db2.gz JSBXKVLOCFTUPZ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001571487315 1162779526 /nfs/dbraw/zinc/77/95/26/1162779526.db2.gz PTTGUCCEJAEZGU-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001571487316 1162779938 /nfs/dbraw/zinc/77/99/38/1162779938.db2.gz PTTGUCCEJAEZGU-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)CN1CCOCC1 ZINC001755200440 1158010747 /nfs/dbraw/zinc/01/07/47/1158010747.db2.gz KQQZILVYAIDHBN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001755200440 1158010755 /nfs/dbraw/zinc/01/07/55/1158010755.db2.gz KQQZILVYAIDHBN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001755200440 1158010762 /nfs/dbraw/zinc/01/07/62/1158010762.db2.gz KQQZILVYAIDHBN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001671694694 1158655518 /nfs/dbraw/zinc/65/55/18/1158655518.db2.gz VYYGPFKISVHOAL-RHSMWYFYSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001671694694 1158655520 /nfs/dbraw/zinc/65/55/20/1158655520.db2.gz VYYGPFKISVHOAL-RHSMWYFYSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671694694 1158655523 /nfs/dbraw/zinc/65/55/23/1158655523.db2.gz VYYGPFKISVHOAL-RHSMWYFYSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671694694 1158655525 /nfs/dbraw/zinc/65/55/25/1158655525.db2.gz VYYGPFKISVHOAL-RHSMWYFYSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001565948808 1159930351 /nfs/dbraw/zinc/93/03/51/1159930351.db2.gz PFQMVXIUHCFUPO-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567409415 1160354160 /nfs/dbraw/zinc/35/41/60/1160354160.db2.gz HIGOMNWISPUGQB-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567409415 1160354167 /nfs/dbraw/zinc/35/41/67/1160354167.db2.gz HIGOMNWISPUGQB-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567409415 1160354175 /nfs/dbraw/zinc/35/41/75/1160354175.db2.gz HIGOMNWISPUGQB-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001568984534 1160908735 /nfs/dbraw/zinc/90/87/35/1160908735.db2.gz RIPJSSCGJCREEV-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001569022798 1160920611 /nfs/dbraw/zinc/92/06/11/1160920611.db2.gz YNWPMEZNBNJZNE-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569122084 1160949716 /nfs/dbraw/zinc/94/97/16/1160949716.db2.gz VNVIEALUSGQBKO-ZIAGYGMSSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569122084 1160949725 /nfs/dbraw/zinc/94/97/25/1160949725.db2.gz VNVIEALUSGQBKO-ZIAGYGMSSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001569270575 1161000777 /nfs/dbraw/zinc/00/07/77/1161000777.db2.gz ZXUFXVBEGUXENH-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOC)CC1 ZINC001569596348 1161162112 /nfs/dbraw/zinc/16/21/12/1161162112.db2.gz XJEQLOMZKCZOFZ-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001569878808 1161292710 /nfs/dbraw/zinc/29/27/10/1161292710.db2.gz LUBDNBWMVCVQMI-IYBDPMFKSA-N 2 1 321.465 0.921 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569899871 1161305470 /nfs/dbraw/zinc/30/54/70/1161305470.db2.gz DBAVSTLRAOGJMV-GOSISDBHSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001570142619 1161438810 /nfs/dbraw/zinc/43/88/10/1161438810.db2.gz QLPRNCZJVUBACJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001570167400 1161469738 /nfs/dbraw/zinc/46/97/38/1161469738.db2.gz OUNUIFCCFSXXCH-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001570167400 1161469750 /nfs/dbraw/zinc/46/97/50/1161469750.db2.gz OUNUIFCCFSXXCH-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1=CC[N@@H+](C)CC1 ZINC001576186698 1164262214 /nfs/dbraw/zinc/26/22/14/1164262214.db2.gz QJPOLCCABLIDQA-RDAFDQFTSA-N 2 1 302.422 0.892 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC001580043152 1165482910 /nfs/dbraw/zinc/48/29/10/1165482910.db2.gz JEPDXXWBAKTTSO-WCCAFZKYSA-N 2 1 302.422 0.869 20 30 DCEDMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001650157131 1173487961 /nfs/dbraw/zinc/48/79/61/1173487961.db2.gz DHUYDLSTOWESFV-RDJZCZTQSA-N 2 1 319.405 0.149 20 30 DCEDMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001650157131 1173487964 /nfs/dbraw/zinc/48/79/64/1173487964.db2.gz DHUYDLSTOWESFV-RDJZCZTQSA-N 2 1 319.405 0.149 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001656775119 1173881752 /nfs/dbraw/zinc/88/17/52/1173881752.db2.gz JLGSZLDLZJAPSR-OAHLLOKOSA-N 2 1 307.438 0.389 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001660753106 1174044939 /nfs/dbraw/zinc/04/49/39/1174044939.db2.gz MIBPQKKRJGRZSH-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001660753106 1174044946 /nfs/dbraw/zinc/04/49/46/1174044946.db2.gz MIBPQKKRJGRZSH-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001660753106 1174044950 /nfs/dbraw/zinc/04/49/50/1174044950.db2.gz MIBPQKKRJGRZSH-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001661881070 1174167481 /nfs/dbraw/zinc/16/74/81/1174167481.db2.gz RWTPRLBKPQMPMU-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001661881070 1174167486 /nfs/dbraw/zinc/16/74/86/1174167486.db2.gz RWTPRLBKPQMPMU-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCOCC1 ZINC001663200643 1174274805 /nfs/dbraw/zinc/27/48/05/1174274805.db2.gz BTZCFVDFYRHMLW-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CCOCC1 ZINC001663200643 1174274812 /nfs/dbraw/zinc/27/48/12/1174274812.db2.gz BTZCFVDFYRHMLW-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCOCC1 ZINC001663200643 1174274818 /nfs/dbraw/zinc/27/48/18/1174274818.db2.gz BTZCFVDFYRHMLW-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCOCC1 ZINC001663200643 1174274824 /nfs/dbraw/zinc/27/48/24/1174274824.db2.gz BTZCFVDFYRHMLW-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001663275985 1174282974 /nfs/dbraw/zinc/28/29/74/1174282974.db2.gz BKAOEGFCFFBVTK-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001663275985 1174282979 /nfs/dbraw/zinc/28/29/79/1174282979.db2.gz BKAOEGFCFFBVTK-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)C1=O ZINC001663275985 1174282981 /nfs/dbraw/zinc/28/29/81/1174282981.db2.gz BKAOEGFCFFBVTK-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)C1=O ZINC001663275985 1174282986 /nfs/dbraw/zinc/28/29/86/1174282986.db2.gz BKAOEGFCFFBVTK-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCOC(C)C)C1 ZINC001665301268 1174503049 /nfs/dbraw/zinc/50/30/49/1174503049.db2.gz TTWLDGOPAMFTTM-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001665305001 1174503103 /nfs/dbraw/zinc/50/31/03/1174503103.db2.gz CYMPYCJDEYLLPM-QGZVFWFLSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001665305001 1174503106 /nfs/dbraw/zinc/50/31/06/1174503106.db2.gz CYMPYCJDEYLLPM-QGZVFWFLSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001665391889 1174514649 /nfs/dbraw/zinc/51/46/49/1174514649.db2.gz DGCGFFIFIHAGCU-YESZJQIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001665391889 1174514656 /nfs/dbraw/zinc/51/46/56/1174514656.db2.gz DGCGFFIFIHAGCU-YESZJQIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001665512705 1174527520 /nfs/dbraw/zinc/52/75/20/1174527520.db2.gz MTASUNNKUAYBPF-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001665512705 1174527525 /nfs/dbraw/zinc/52/75/25/1174527525.db2.gz MTASUNNKUAYBPF-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001665512705 1174527531 /nfs/dbraw/zinc/52/75/31/1174527531.db2.gz MTASUNNKUAYBPF-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001665512705 1174527534 /nfs/dbraw/zinc/52/75/34/1174527534.db2.gz MTASUNNKUAYBPF-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001666295335 1174597640 /nfs/dbraw/zinc/59/76/40/1174597640.db2.gz HMOIEIDJHLQMBW-WKILWMFISA-N 2 1 318.421 0.858 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001666913914 1174646193 /nfs/dbraw/zinc/64/61/93/1174646193.db2.gz LVBUBOOQRASSBT-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001671671681 1175028894 /nfs/dbraw/zinc/02/88/94/1175028894.db2.gz AGPYVVIWHJOMTL-QGZVFWFLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001671671681 1175028901 /nfs/dbraw/zinc/02/89/01/1175028901.db2.gz AGPYVVIWHJOMTL-QGZVFWFLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001672364326 1175101956 /nfs/dbraw/zinc/10/19/56/1175101956.db2.gz BDBJNGCHEIYANL-BZUAXINKSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001672364326 1175101960 /nfs/dbraw/zinc/10/19/60/1175101960.db2.gz BDBJNGCHEIYANL-BZUAXINKSA-N 2 1 307.438 0.462 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001672491610 1175116904 /nfs/dbraw/zinc/11/69/04/1175116904.db2.gz LSKFGLUFNVTWAB-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001672491610 1175116907 /nfs/dbraw/zinc/11/69/07/1175116907.db2.gz LSKFGLUFNVTWAB-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCO)CC1 ZINC001673601774 1175216804 /nfs/dbraw/zinc/21/68/04/1175216804.db2.gz RBQBMLGDOHPPAJ-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCO)CC1 ZINC001673601774 1175216807 /nfs/dbraw/zinc/21/68/07/1175216807.db2.gz RBQBMLGDOHPPAJ-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001673911693 1175239705 /nfs/dbraw/zinc/23/97/05/1175239705.db2.gz TWFIZLXYSQLQJF-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001676423834 1175444695 /nfs/dbraw/zinc/44/46/95/1175444695.db2.gz KJPKOGYGRDNUBH-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001677096400 1175525920 /nfs/dbraw/zinc/52/59/20/1175525920.db2.gz WWIAPBZMXVRFFZ-HOTGVXAUSA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001677096401 1175526428 /nfs/dbraw/zinc/52/64/28/1175526428.db2.gz WWIAPBZMXVRFFZ-HZPDHXFCSA-N 2 1 309.454 0.539 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001677115910 1175529806 /nfs/dbraw/zinc/52/98/06/1175529806.db2.gz ATXVMVMXWAYLED-BBRMVZONSA-N 2 1 315.433 0.794 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001677178261 1175544604 /nfs/dbraw/zinc/54/46/04/1175544604.db2.gz DVSKVDNHUGLILI-RDJZCZTQSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001677178261 1175544606 /nfs/dbraw/zinc/54/46/06/1175544606.db2.gz DVSKVDNHUGLILI-RDJZCZTQSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001677178261 1175544610 /nfs/dbraw/zinc/54/46/10/1175544610.db2.gz DVSKVDNHUGLILI-RDJZCZTQSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001677174640 1175545133 /nfs/dbraw/zinc/54/51/33/1175545133.db2.gz QKZIDVJRWKPDAF-QGZVFWFLSA-N 2 1 317.433 0.746 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001691755677 1175565036 /nfs/dbraw/zinc/56/50/36/1175565036.db2.gz CNDHWKXMUXZQOX-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(CC)CCO1 ZINC001688067644 1176348919 /nfs/dbraw/zinc/34/89/19/1176348919.db2.gz CEEJVUTZROTVEJ-PMPSAXMXSA-N 2 1 307.438 0.958 20 30 DCEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001690068505 1177159802 /nfs/dbraw/zinc/15/98/02/1177159802.db2.gz OUKWQRMPAFKJRM-HZPDHXFCSA-N 2 1 321.469 0.507 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001690159099 1177182443 /nfs/dbraw/zinc/18/24/43/1177182443.db2.gz UFHHQWKXXOYSOC-CVEARBPZSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690806319 1177329900 /nfs/dbraw/zinc/32/99/00/1177329900.db2.gz ZPDQVQSTHCMXSZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690806319 1177329910 /nfs/dbraw/zinc/32/99/10/1177329910.db2.gz ZPDQVQSTHCMXSZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001690806319 1177329919 /nfs/dbraw/zinc/32/99/19/1177329919.db2.gz ZPDQVQSTHCMXSZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001692052237 1177409401 /nfs/dbraw/zinc/40/94/01/1177409401.db2.gz LTQJTKXEJUSBLO-JYJNAYRXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001692052237 1177409403 /nfs/dbraw/zinc/40/94/03/1177409403.db2.gz LTQJTKXEJUSBLO-JYJNAYRXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001692245149 1177458843 /nfs/dbraw/zinc/45/88/43/1177458843.db2.gz MCJGTUPZLIIKJJ-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001692245149 1177458844 /nfs/dbraw/zinc/45/88/44/1177458844.db2.gz MCJGTUPZLIIKJJ-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001692245149 1177458845 /nfs/dbraw/zinc/45/88/45/1177458845.db2.gz MCJGTUPZLIIKJJ-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001698689151 1177609064 /nfs/dbraw/zinc/60/90/64/1177609064.db2.gz CKSNRBYHRIDBIK-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001698689151 1177609067 /nfs/dbraw/zinc/60/90/67/1177609067.db2.gz CKSNRBYHRIDBIK-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001698954249 1177735412 /nfs/dbraw/zinc/73/54/12/1177735412.db2.gz ZKTUYCXMNILHKA-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001698954249 1177735415 /nfs/dbraw/zinc/73/54/15/1177735415.db2.gz ZKTUYCXMNILHKA-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001698954249 1177735424 /nfs/dbraw/zinc/73/54/24/1177735424.db2.gz ZKTUYCXMNILHKA-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001698954249 1177735432 /nfs/dbraw/zinc/73/54/32/1177735432.db2.gz ZKTUYCXMNILHKA-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001698954249 1177735444 /nfs/dbraw/zinc/73/54/44/1177735444.db2.gz ZKTUYCXMNILHKA-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccn1 ZINC001699271335 1178013747 /nfs/dbraw/zinc/01/37/47/1178013747.db2.gz NTPSZCDRVGXRJM-OSJSJHBBSA-N 2 1 312.417 0.941 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccn1 ZINC001699271335 1178013754 /nfs/dbraw/zinc/01/37/54/1178013754.db2.gz NTPSZCDRVGXRJM-OSJSJHBBSA-N 2 1 312.417 0.941 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001699820266 1178304622 /nfs/dbraw/zinc/30/46/22/1178304622.db2.gz WYXPYLXVDXRZIM-KRWDZBQOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001699820266 1178304630 /nfs/dbraw/zinc/30/46/30/1178304630.db2.gz WYXPYLXVDXRZIM-KRWDZBQOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001699820266 1178304636 /nfs/dbraw/zinc/30/46/36/1178304636.db2.gz WYXPYLXVDXRZIM-KRWDZBQOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001699820266 1178304646 /nfs/dbraw/zinc/30/46/46/1178304646.db2.gz WYXPYLXVDXRZIM-KRWDZBQOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001700001277 1178420221 /nfs/dbraw/zinc/42/02/21/1178420221.db2.gz HZEKGUSRLKOIJA-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001700001277 1178420225 /nfs/dbraw/zinc/42/02/25/1178420225.db2.gz HZEKGUSRLKOIJA-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001700001277 1178420229 /nfs/dbraw/zinc/42/02/29/1178420229.db2.gz HZEKGUSRLKOIJA-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@H+](CC)C2)CC1 ZINC001700005331 1178424466 /nfs/dbraw/zinc/42/44/66/1178424466.db2.gz KBKHFYWKOHARIX-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001700041552 1178455746 /nfs/dbraw/zinc/45/57/46/1178455746.db2.gz VKQDSDDMHLDMHB-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001700073797 1178469187 /nfs/dbraw/zinc/46/91/87/1178469187.db2.gz ZIIVDVWZHVAXLN-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001700143709 1178493340 /nfs/dbraw/zinc/49/33/40/1178493340.db2.gz GXYOTUPKNFDYRU-CYBMUJFWSA-N 2 1 308.426 0.011 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001700181425 1178521215 /nfs/dbraw/zinc/52/12/15/1178521215.db2.gz VNFAVKGIPXUBMP-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001700243703 1178550971 /nfs/dbraw/zinc/55/09/71/1178550971.db2.gz XKPOQAKHWRRJJX-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001700541161 1178651180 /nfs/dbraw/zinc/65/11/80/1178651180.db2.gz KBTUPKLVNITKOA-BHYGNILZSA-N 2 1 321.465 0.803 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001700541161 1178651184 /nfs/dbraw/zinc/65/11/84/1178651184.db2.gz KBTUPKLVNITKOA-BHYGNILZSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001700666429 1178698254 /nfs/dbraw/zinc/69/82/54/1178698254.db2.gz UNSZUKUTKGDYSH-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001707211974 1180437631 /nfs/dbraw/zinc/43/76/31/1180437631.db2.gz HMLMTLULVBHNTA-HNNXBMFYSA-N 2 1 306.410 0.663 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001707211974 1180437635 /nfs/dbraw/zinc/43/76/35/1180437635.db2.gz HMLMTLULVBHNTA-HNNXBMFYSA-N 2 1 306.410 0.663 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001707224159 1180439255 /nfs/dbraw/zinc/43/92/55/1180439255.db2.gz OVPMGOGZUVOWPG-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001707224159 1180439259 /nfs/dbraw/zinc/43/92/59/1180439259.db2.gz OVPMGOGZUVOWPG-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001707224159 1180439264 /nfs/dbraw/zinc/43/92/64/1180439264.db2.gz OVPMGOGZUVOWPG-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001714358009 1181334332 /nfs/dbraw/zinc/33/43/32/1181334332.db2.gz YUCBFPVQGXUWEG-OAHLLOKOSA-N 2 1 304.394 0.279 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+]([C@H](C)COC)C2CC2)CC1 ZINC001714676894 1181474540 /nfs/dbraw/zinc/47/45/40/1181474540.db2.gz WEUGAADJQARJHD-OAHLLOKOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCOCC)C2)CC1 ZINC001714955330 1181616282 /nfs/dbraw/zinc/61/62/82/1181616282.db2.gz VIADLGNJXDZVCZ-UHFFFAOYSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001715026023 1181658342 /nfs/dbraw/zinc/65/83/42/1181658342.db2.gz UZIVKNKZIVIHPS-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001715042143 1181669316 /nfs/dbraw/zinc/66/93/16/1181669316.db2.gz HBOAXEHWYALVQT-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001715333509 1181777818 /nfs/dbraw/zinc/77/78/18/1181777818.db2.gz AGGUXLOQHYUVBB-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001715374551 1181794913 /nfs/dbraw/zinc/79/49/13/1181794913.db2.gz JIAVAXPRCALVHV-OLZOCXBDSA-N 2 1 321.425 0.319 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001715603740 1181890790 /nfs/dbraw/zinc/89/07/90/1181890790.db2.gz VDGZXCXMPFXDJS-UKRRQHHQSA-N 2 1 306.410 0.397 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001716072889 1182173351 /nfs/dbraw/zinc/17/33/51/1182173351.db2.gz YBSSMQDAUMRNMV-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N[C@H](C)CC ZINC001716399187 1182374490 /nfs/dbraw/zinc/37/44/90/1182374490.db2.gz ZLLLMJSNIBTAID-KFWWJZLASA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N[C@H](C)CC ZINC001716399187 1182374494 /nfs/dbraw/zinc/37/44/94/1182374494.db2.gz ZLLLMJSNIBTAID-KFWWJZLASA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001716449124 1182394477 /nfs/dbraw/zinc/39/44/77/1182394477.db2.gz ANFISZRYKHUHBA-IHRRRGAJSA-N 2 1 310.442 0.256 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC[C@H](C)O)CC1 ZINC001716670477 1182488579 /nfs/dbraw/zinc/48/85/79/1182488579.db2.gz FRGPGZZSUCMWGU-DOTOQJQBSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001716696283 1182497794 /nfs/dbraw/zinc/49/77/94/1182497794.db2.gz CQFJSHAQHGZTKV-HZPDHXFCSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCO)CC1 ZINC001716806474 1182530910 /nfs/dbraw/zinc/53/09/10/1182530910.db2.gz BDGRQCXQGZXTHY-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001716861033 1182553012 /nfs/dbraw/zinc/55/30/12/1182553012.db2.gz VYROPEUUHOBCKC-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001716892502 1182559236 /nfs/dbraw/zinc/55/92/36/1182559236.db2.gz CMRVXNJRVCFXIC-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001716892502 1182559243 /nfs/dbraw/zinc/55/92/43/1182559243.db2.gz CMRVXNJRVCFXIC-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001716892502 1182559248 /nfs/dbraw/zinc/55/92/48/1182559248.db2.gz CMRVXNJRVCFXIC-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001716892502 1182559254 /nfs/dbraw/zinc/55/92/54/1182559254.db2.gz CMRVXNJRVCFXIC-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001717320901 1182779966 /nfs/dbraw/zinc/77/99/66/1182779966.db2.gz MCVIGHVWDKOCAT-UHFFFAOYSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001717337489 1182790302 /nfs/dbraw/zinc/79/03/02/1182790302.db2.gz LCQBPAKUKPRBKN-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCOCC=C)C1 ZINC001717550840 1182894334 /nfs/dbraw/zinc/89/43/34/1182894334.db2.gz HQCGRNLYMHBKTJ-WBVHZDCISA-N 2 1 319.449 0.723 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCOCC=C)C1 ZINC001717550840 1182894342 /nfs/dbraw/zinc/89/43/42/1182894342.db2.gz HQCGRNLYMHBKTJ-WBVHZDCISA-N 2 1 319.449 0.723 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001717555972 1182898946 /nfs/dbraw/zinc/89/89/46/1182898946.db2.gz BEGDKLHFOIKFPD-XHSDSOJGSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001717555972 1182898954 /nfs/dbraw/zinc/89/89/54/1182898954.db2.gz BEGDKLHFOIKFPD-XHSDSOJGSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCO)C1 ZINC001752992290 1184227673 /nfs/dbraw/zinc/22/76/73/1184227673.db2.gz JHCKVPHBNUISFC-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCO)C1 ZINC001752992290 1184227681 /nfs/dbraw/zinc/22/76/81/1184227681.db2.gz JHCKVPHBNUISFC-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCO)C1 ZINC001752992290 1184227688 /nfs/dbraw/zinc/22/76/88/1184227688.db2.gz JHCKVPHBNUISFC-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCO)C1 ZINC001752992290 1184227695 /nfs/dbraw/zinc/22/76/95/1184227695.db2.gz JHCKVPHBNUISFC-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001723874545 1184358290 /nfs/dbraw/zinc/35/82/90/1184358290.db2.gz LTGZHZJFIVATLX-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC001724362114 1184413516 /nfs/dbraw/zinc/41/35/16/1184413516.db2.gz HELLMNWYASALIP-GJZGRUSLSA-N 2 1 307.438 0.605 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001724423174 1184439361 /nfs/dbraw/zinc/43/93/61/1184439361.db2.gz WZVZUMSTERFWMM-INIZCTEOSA-N 2 1 306.410 0.482 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001724672495 1184510711 /nfs/dbraw/zinc/51/07/11/1184510711.db2.gz TXQSCKQCUOBDCU-JKSUJKDBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001724812746 1184569281 /nfs/dbraw/zinc/56/92/81/1184569281.db2.gz KAHJIVBHJYDQHM-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001725288922 1184754662 /nfs/dbraw/zinc/75/46/62/1184754662.db2.gz KIQVSDDCAOODLF-OAHLLOKOSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001725288922 1184754670 /nfs/dbraw/zinc/75/46/70/1184754670.db2.gz KIQVSDDCAOODLF-OAHLLOKOSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001725325539 1184770732 /nfs/dbraw/zinc/77/07/32/1184770732.db2.gz ZHZATTSYFZXXJH-VQHPVUNQSA-N 2 1 319.449 0.272 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725725125 1184974490 /nfs/dbraw/zinc/97/44/90/1184974490.db2.gz SQANTHYCHZEWIX-DLBZAZTESA-N 2 1 317.433 0.674 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725725125 1184974493 /nfs/dbraw/zinc/97/44/93/1184974493.db2.gz SQANTHYCHZEWIX-DLBZAZTESA-N 2 1 317.433 0.674 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001725754750 1184983100 /nfs/dbraw/zinc/98/31/00/1184983100.db2.gz IEHVFIPVWCNITH-CABCVRRESA-N 2 1 309.454 0.708 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001731366723 1185300271 /nfs/dbraw/zinc/30/02/71/1185300271.db2.gz JOQSXOQUVMVMBR-UHFFFAOYSA-N 2 1 319.453 0.892 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731424654 1185326041 /nfs/dbraw/zinc/32/60/41/1185326041.db2.gz JRUXSAXUACERQQ-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001731424654 1185326049 /nfs/dbraw/zinc/32/60/49/1185326049.db2.gz JRUXSAXUACERQQ-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731424654 1185326053 /nfs/dbraw/zinc/32/60/53/1185326053.db2.gz JRUXSAXUACERQQ-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001731703347 1185449956 /nfs/dbraw/zinc/44/99/56/1185449956.db2.gz FSRKJKXZTHEGFN-KRWDZBQOSA-N 2 1 315.417 0.399 20 30 DCEDMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001731703347 1185449960 /nfs/dbraw/zinc/44/99/60/1185449960.db2.gz FSRKJKXZTHEGFN-KRWDZBQOSA-N 2 1 315.417 0.399 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001731717025 1185455885 /nfs/dbraw/zinc/45/58/85/1185455885.db2.gz SBTFMHNFKUYVMY-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001731717025 1185455890 /nfs/dbraw/zinc/45/58/90/1185455890.db2.gz SBTFMHNFKUYVMY-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001731717025 1185455895 /nfs/dbraw/zinc/45/58/95/1185455895.db2.gz SBTFMHNFKUYVMY-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2coc(C)n2)CC1 ZINC001731987462 1185627204 /nfs/dbraw/zinc/62/72/04/1185627204.db2.gz HTNAZFUWSRXBNI-UHFFFAOYSA-N 2 1 318.421 0.876 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001732060006 1185653341 /nfs/dbraw/zinc/65/33/41/1185653341.db2.gz ABJKZJFBYJWUDC-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCOCC)C2)CC1 ZINC001732175414 1185720581 /nfs/dbraw/zinc/72/05/81/1185720581.db2.gz HPGAUVOILCTXKR-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001732306105 1185761972 /nfs/dbraw/zinc/76/19/72/1185761972.db2.gz MKIIGULBVWLCAO-KKUMJFAQSA-N 2 1 322.453 0.400 20 30 DCEDMP C#CCC[NH+]1CCC(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001732326231 1185766762 /nfs/dbraw/zinc/76/67/62/1185766762.db2.gz VSANZOGNJXZUML-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001732659959 1185903319 /nfs/dbraw/zinc/90/33/19/1185903319.db2.gz XJTAZIHGDPPOAZ-ZBFHGGJFSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnc(C)nc1 ZINC001732958103 1186080801 /nfs/dbraw/zinc/08/08/01/1186080801.db2.gz HPUZXSUANPZECM-CJNGLKHVSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnc(C)nc1 ZINC001732958103 1186080804 /nfs/dbraw/zinc/08/08/04/1186080804.db2.gz HPUZXSUANPZECM-CJNGLKHVSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCOC(C)C ZINC001733046494 1186118306 /nfs/dbraw/zinc/11/83/06/1186118306.db2.gz YNMWUYOBSSJTGW-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCOC(C)C ZINC001733046494 1186118311 /nfs/dbraw/zinc/11/83/11/1186118311.db2.gz YNMWUYOBSSJTGW-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCOC(C)C ZINC001733046494 1186118314 /nfs/dbraw/zinc/11/83/14/1186118314.db2.gz YNMWUYOBSSJTGW-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCOC(C)C ZINC001733046494 1186118319 /nfs/dbraw/zinc/11/83/19/1186118319.db2.gz YNMWUYOBSSJTGW-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001733491642 1186299123 /nfs/dbraw/zinc/29/91/23/1186299123.db2.gz GRFLZVMUNDAOMF-AEFFLSMTSA-N 2 1 315.417 0.476 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001733491642 1186299132 /nfs/dbraw/zinc/29/91/32/1186299132.db2.gz GRFLZVMUNDAOMF-AEFFLSMTSA-N 2 1 315.417 0.476 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCOCC)C1 ZINC001733949109 1186506290 /nfs/dbraw/zinc/50/62/90/1186506290.db2.gz YGQYKHOSHIZUIM-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCOCC)C1 ZINC001733949109 1186506293 /nfs/dbraw/zinc/50/62/93/1186506293.db2.gz YGQYKHOSHIZUIM-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001734181862 1186571040 /nfs/dbraw/zinc/57/10/40/1186571040.db2.gz JDNNDOHVNOWRBO-UKRRQHHQSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734417142 1186647912 /nfs/dbraw/zinc/64/79/12/1186647912.db2.gz POGWEXDMLCYDSE-KBPBESRZSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734459712 1186658693 /nfs/dbraw/zinc/65/86/93/1186658693.db2.gz NKXTZVCAYBKBRI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734459712 1186658696 /nfs/dbraw/zinc/65/86/96/1186658696.db2.gz NKXTZVCAYBKBRI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734542013 1186684966 /nfs/dbraw/zinc/68/49/66/1186684966.db2.gz RQNYNLZTAUTORY-HNNXBMFYSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001734541776 1186685098 /nfs/dbraw/zinc/68/50/98/1186685098.db2.gz KNLQJXMMGDDRCE-AWEZNQCLSA-N 2 1 306.410 0.391 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001734541776 1186685100 /nfs/dbraw/zinc/68/51/00/1186685100.db2.gz KNLQJXMMGDDRCE-AWEZNQCLSA-N 2 1 306.410 0.391 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001734631742 1186713797 /nfs/dbraw/zinc/71/37/97/1186713797.db2.gz SSQMUHPIEFXOAT-UHFFFAOYSA-N 2 1 319.449 0.726 20 30 DCEDMP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754162528 1188766054 /nfs/dbraw/zinc/76/60/54/1188766054.db2.gz XNYZRWUXJBUGMC-LUNKNMTDSA-N 2 1 322.453 0.281 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001754551006 1188877275 /nfs/dbraw/zinc/87/72/75/1188877275.db2.gz MREDJWLJWBKKHK-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@@H+](CCOC)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001754551006 1188877277 /nfs/dbraw/zinc/87/72/77/1188877277.db2.gz MREDJWLJWBKKHK-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001754551006 1188877280 /nfs/dbraw/zinc/87/72/80/1188877280.db2.gz MREDJWLJWBKKHK-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001754701305 1188908283 /nfs/dbraw/zinc/90/82/83/1188908283.db2.gz XNQQXDJWIPRWSQ-KRWDZBQOSA-N 2 1 318.421 0.670 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@@H+](CC=C)C2)CC1 ZINC001754863180 1188953803 /nfs/dbraw/zinc/95/38/03/1188953803.db2.gz YOJBMSLVUOFQGT-GOSISDBHSA-N 2 1 319.449 0.461 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#CCOC)CC1 ZINC001755031126 1189001814 /nfs/dbraw/zinc/00/18/14/1189001814.db2.gz NHBAKRJKLHTXLL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC#CCOC)CC1 ZINC001755031126 1189001818 /nfs/dbraw/zinc/00/18/18/1189001818.db2.gz NHBAKRJKLHTXLL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC001755031126 1189001822 /nfs/dbraw/zinc/00/18/22/1189001822.db2.gz NHBAKRJKLHTXLL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001755368533 1189093047 /nfs/dbraw/zinc/09/30/47/1189093047.db2.gz SLWDEFZMOIELBF-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001755786609 1189212456 /nfs/dbraw/zinc/21/24/56/1189212456.db2.gz GAPNQNOLMACIOF-HOCLYGCPSA-N 2 1 320.437 0.739 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCC[NH2+]CC#CC ZINC001755873552 1189241244 /nfs/dbraw/zinc/24/12/44/1189241244.db2.gz BHFPMSSYQUWXOW-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCC[NH2+]CC#CC ZINC001755873552 1189241246 /nfs/dbraw/zinc/24/12/46/1189241246.db2.gz BHFPMSSYQUWXOW-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC(C)(C)C1 ZINC001089409956 751378234 /nfs/dbraw/zinc/37/82/34/751378234.db2.gz LYTAEOMQOPQDMM-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC(C)(C)C1 ZINC001089409956 751378240 /nfs/dbraw/zinc/37/82/40/751378240.db2.gz LYTAEOMQOPQDMM-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC(C)(C)C1 ZINC001089409956 751378244 /nfs/dbraw/zinc/37/82/44/751378244.db2.gz LYTAEOMQOPQDMM-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC(C)(C)C1 ZINC001089409956 751378250 /nfs/dbraw/zinc/37/82/50/751378250.db2.gz LYTAEOMQOPQDMM-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001125214069 751840579 /nfs/dbraw/zinc/84/05/79/751840579.db2.gz OFATVEJTDFTKEW-MRXNPFEDSA-N 2 1 319.380 0.214 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001125214069 751840587 /nfs/dbraw/zinc/84/05/87/751840587.db2.gz OFATVEJTDFTKEW-MRXNPFEDSA-N 2 1 319.380 0.214 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530783 752105732 /nfs/dbraw/zinc/10/57/32/752105732.db2.gz KZHZWPBATIMVPL-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCCN1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193253 746979581 /nfs/dbraw/zinc/97/95/81/746979581.db2.gz IOYOEQWWFMNAOX-OWCLPIDISA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193253 746979588 /nfs/dbraw/zinc/97/95/88/746979588.db2.gz IOYOEQWWFMNAOX-OWCLPIDISA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193253 746979592 /nfs/dbraw/zinc/97/95/92/746979592.db2.gz IOYOEQWWFMNAOX-OWCLPIDISA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193253 746979597 /nfs/dbraw/zinc/97/95/97/746979597.db2.gz IOYOEQWWFMNAOX-OWCLPIDISA-N 2 1 305.422 0.406 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320921 748129924 /nfs/dbraw/zinc/12/99/24/748129924.db2.gz PLFXAGQGELUHCC-UHFFFAOYSA-N 2 1 306.414 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326817 748136779 /nfs/dbraw/zinc/13/67/79/748136779.db2.gz HISNDCBLIUJBHT-DOMZBBRYSA-N 2 1 318.425 0.135 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326817 748136786 /nfs/dbraw/zinc/13/67/86/748136786.db2.gz HISNDCBLIUJBHT-DOMZBBRYSA-N 2 1 318.425 0.135 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C[C@@H]2C1 ZINC001087997978 749184258 /nfs/dbraw/zinc/18/42/58/749184258.db2.gz KMJHWLAHSNDVJA-SQNIBIBYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C[C@@H]2C1 ZINC001087997978 749184263 /nfs/dbraw/zinc/18/42/63/749184263.db2.gz KMJHWLAHSNDVJA-SQNIBIBYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC#C)C[C@@H]2C1 ZINC001087997978 749184267 /nfs/dbraw/zinc/18/42/67/749184267.db2.gz KMJHWLAHSNDVJA-SQNIBIBYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC#C)C[C@@H]2C1 ZINC001087997978 749184271 /nfs/dbraw/zinc/18/42/71/749184271.db2.gz KMJHWLAHSNDVJA-SQNIBIBYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]2C1 ZINC001088140638 749253075 /nfs/dbraw/zinc/25/30/75/749253075.db2.gz WPDTYVASIKWFQU-SJORKVTESA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140638 749253079 /nfs/dbraw/zinc/25/30/79/749253079.db2.gz WPDTYVASIKWFQU-SJORKVTESA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140638 749253082 /nfs/dbraw/zinc/25/30/82/749253082.db2.gz WPDTYVASIKWFQU-SJORKVTESA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574685 749680086 /nfs/dbraw/zinc/68/00/86/749680086.db2.gz KGWAIAGABFYQNQ-KGLIPLIRSA-N 2 1 303.410 0.271 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574685 749680089 /nfs/dbraw/zinc/68/00/89/749680089.db2.gz KGWAIAGABFYQNQ-KGLIPLIRSA-N 2 1 303.410 0.271 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077128122 750214611 /nfs/dbraw/zinc/21/46/11/750214611.db2.gz YATFTGZAYSJMFJ-ARFHVFGLSA-N 2 1 309.454 0.702 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128122 750214613 /nfs/dbraw/zinc/21/46/13/750214613.db2.gz YATFTGZAYSJMFJ-ARFHVFGLSA-N 2 1 309.454 0.702 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128122 750214616 /nfs/dbraw/zinc/21/46/16/750214616.db2.gz YATFTGZAYSJMFJ-ARFHVFGLSA-N 2 1 309.454 0.702 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357487 751196144 /nfs/dbraw/zinc/19/61/44/751196144.db2.gz ZFCSMDQWEPERBZ-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCCN1CCO[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997117 752851206 /nfs/dbraw/zinc/85/12/06/752851206.db2.gz QKSGMOGCQVEYHZ-QGZVFWFLSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107997117 752851214 /nfs/dbraw/zinc/85/12/14/752851214.db2.gz QKSGMOGCQVEYHZ-QGZVFWFLSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997117 752851224 /nfs/dbraw/zinc/85/12/24/752851224.db2.gz QKSGMOGCQVEYHZ-QGZVFWFLSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997117 752851232 /nfs/dbraw/zinc/85/12/32/752851232.db2.gz QKSGMOGCQVEYHZ-QGZVFWFLSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997117 752851239 /nfs/dbraw/zinc/85/12/39/752851239.db2.gz QKSGMOGCQVEYHZ-QGZVFWFLSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107998515 752862428 /nfs/dbraw/zinc/86/24/28/752862428.db2.gz LYHPJWXFDSDLJI-DOTOQJQBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107998515 752862432 /nfs/dbraw/zinc/86/24/32/752862432.db2.gz LYHPJWXFDSDLJI-DOTOQJQBSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077978572 752938765 /nfs/dbraw/zinc/93/87/65/752938765.db2.gz JXXVNFIUHVKEHZ-IAGOWNOFSA-N 2 1 319.449 0.293 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077978572 752938768 /nfs/dbraw/zinc/93/87/68/752938768.db2.gz JXXVNFIUHVKEHZ-IAGOWNOFSA-N 2 1 319.449 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444848 753196153 /nfs/dbraw/zinc/19/61/53/753196153.db2.gz YPGYSEDCTDWRRL-LSDHHAIUSA-N 2 1 305.422 0.454 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010069 753412649 /nfs/dbraw/zinc/41/26/49/753412649.db2.gz HSSUCKWYKUFPFH-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010069 753412652 /nfs/dbraw/zinc/41/26/52/753412652.db2.gz HSSUCKWYKUFPFH-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046010069 753412654 /nfs/dbraw/zinc/41/26/54/753412654.db2.gz HSSUCKWYKUFPFH-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046077728 753468953 /nfs/dbraw/zinc/46/89/53/753468953.db2.gz YDADATYTVRNNMY-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077728 753468958 /nfs/dbraw/zinc/46/89/58/753468958.db2.gz YDADATYTVRNNMY-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077728 753468963 /nfs/dbraw/zinc/46/89/63/753468963.db2.gz YDADATYTVRNNMY-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082156 753472377 /nfs/dbraw/zinc/47/23/77/753472377.db2.gz OSSHNVRIDOKSOI-INIZCTEOSA-N 2 1 306.454 0.487 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326755 753646853 /nfs/dbraw/zinc/64/68/53/753646853.db2.gz UTXVFDUJPPBFGW-MRXNPFEDSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001046850021 753978647 /nfs/dbraw/zinc/97/86/47/753978647.db2.gz NQIZIRGUSAXGCI-MAUKXSAKSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001046850022 753979359 /nfs/dbraw/zinc/97/93/59/753979359.db2.gz NQIZIRGUSAXGCI-QAPCUYQASA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)CC1 ZINC001047209981 754129662 /nfs/dbraw/zinc/12/96/62/754129662.db2.gz ZUJTUDIEPHEZCK-XIRDDKMYSA-N 2 1 319.449 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCOC)C2)CC1 ZINC001072095568 762351958 /nfs/dbraw/zinc/35/19/58/762351958.db2.gz KPOZOMPQKVAYDK-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353324 755655724 /nfs/dbraw/zinc/65/57/24/755655724.db2.gz BDMHNJSAGSAIMT-CVEARBPZSA-N 2 1 321.465 0.990 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074307 755688056 /nfs/dbraw/zinc/68/80/56/755688056.db2.gz ZSPFVQKDEONYTO-KRWDZBQOSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074307 755688060 /nfs/dbraw/zinc/68/80/60/755688060.db2.gz ZSPFVQKDEONYTO-KRWDZBQOSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2OC)CC1 ZINC001082383411 757089170 /nfs/dbraw/zinc/08/91/70/757089170.db2.gz WHRXGVNZWGVECJ-HZPDHXFCSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048257 757306736 /nfs/dbraw/zinc/30/67/36/757306736.db2.gz NCDMVNLPEPJCFE-GVDBMIGSSA-N 2 1 301.434 0.884 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083024789 757426685 /nfs/dbraw/zinc/42/66/85/757426685.db2.gz ZLKALVUGMWRGOP-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024789 757426687 /nfs/dbraw/zinc/42/66/87/757426687.db2.gz ZLKALVUGMWRGOP-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024789 757426692 /nfs/dbraw/zinc/42/66/92/757426692.db2.gz ZLKALVUGMWRGOP-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834374 758074356 /nfs/dbraw/zinc/07/43/56/758074356.db2.gz XTXYMAVCNYOPRR-ARFHVFGLSA-N 2 1 307.438 0.673 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052030074 759129334 /nfs/dbraw/zinc/12/93/34/759129334.db2.gz GWERSSFYWQQLMS-BRWVUGGUSA-N 2 1 318.465 0.178 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052030074 759129338 /nfs/dbraw/zinc/12/93/38/759129338.db2.gz GWERSSFYWQQLMS-BRWVUGGUSA-N 2 1 318.465 0.178 20 30 DCEDMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052107082 759184519 /nfs/dbraw/zinc/18/45/19/759184519.db2.gz ANJGYHFVXBWOPM-CVEARBPZSA-N 2 1 319.453 0.070 20 30 DCEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052107082 759184522 /nfs/dbraw/zinc/18/45/22/759184522.db2.gz ANJGYHFVXBWOPM-CVEARBPZSA-N 2 1 319.453 0.070 20 30 DCEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052116959 759189115 /nfs/dbraw/zinc/18/91/15/759189115.db2.gz CDVRGJAXJKIHCM-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052116959 759189118 /nfs/dbraw/zinc/18/91/18/759189118.db2.gz CDVRGJAXJKIHCM-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052116957 759189453 /nfs/dbraw/zinc/18/94/53/759189453.db2.gz CDVRGJAXJKIHCM-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052116957 759189459 /nfs/dbraw/zinc/18/94/59/759189459.db2.gz CDVRGJAXJKIHCM-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001108215856 759406479 /nfs/dbraw/zinc/40/64/79/759406479.db2.gz LLOAGKBIZPBXCG-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108215856 759406486 /nfs/dbraw/zinc/40/64/86/759406486.db2.gz LLOAGKBIZPBXCG-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215856 759406492 /nfs/dbraw/zinc/40/64/92/759406492.db2.gz LLOAGKBIZPBXCG-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215856 759406497 /nfs/dbraw/zinc/40/64/97/759406497.db2.gz LLOAGKBIZPBXCG-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086106626 759720121 /nfs/dbraw/zinc/72/01/21/759720121.db2.gz SBUPAVHWXYKVFC-HLLBOEOZSA-N 2 1 319.449 0.747 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292890 767959915 /nfs/dbraw/zinc/95/99/15/767959915.db2.gz YXTWZAVXJPIAAT-JKSUJKDBSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292890 767959921 /nfs/dbraw/zinc/95/99/21/767959921.db2.gz YXTWZAVXJPIAAT-JKSUJKDBSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292890 767959926 /nfs/dbraw/zinc/95/99/26/767959926.db2.gz YXTWZAVXJPIAAT-JKSUJKDBSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123656354 768014954 /nfs/dbraw/zinc/01/49/54/768014954.db2.gz ROUNUGJPKKHCPY-GOEBONIOSA-N 2 1 323.485 0.570 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327157 761169915 /nfs/dbraw/zinc/16/99/15/761169915.db2.gz VGEGGAPQWRYMFF-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386542 761316788 /nfs/dbraw/zinc/31/67/88/761316788.db2.gz MTQDQNUMFJLECJ-GJZGRUSLSA-N 2 1 307.442 0.874 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653694 761495816 /nfs/dbraw/zinc/49/58/16/761495816.db2.gz CEQLCIWMOUDJOM-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653694 761495819 /nfs/dbraw/zinc/49/58/19/761495819.db2.gz CEQLCIWMOUDJOM-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101142 762845087 /nfs/dbraw/zinc/84/50/87/762845087.db2.gz AOFNAPOFXZWSAI-WCVJEAGWSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101142 762845094 /nfs/dbraw/zinc/84/50/94/762845094.db2.gz AOFNAPOFXZWSAI-WCVJEAGWSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101142 762845101 /nfs/dbraw/zinc/84/51/01/762845101.db2.gz AOFNAPOFXZWSAI-WCVJEAGWSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101142 762845106 /nfs/dbraw/zinc/84/51/06/762845106.db2.gz AOFNAPOFXZWSAI-WCVJEAGWSA-N 2 1 305.422 0.309 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129422967 762935966 /nfs/dbraw/zinc/93/59/66/762935966.db2.gz NYCHBQUYOIAACY-OAHLLOKOSA-N 2 1 322.453 0.401 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](OCC)C1CC1 ZINC001129770570 763007650 /nfs/dbraw/zinc/00/76/50/763007650.db2.gz IRVVZXIWNDKWDU-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](OCC)C1CC1 ZINC001129770570 763007659 /nfs/dbraw/zinc/00/76/59/763007659.db2.gz IRVVZXIWNDKWDU-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001098471753 763065322 /nfs/dbraw/zinc/06/53/22/763065322.db2.gz LAFSSSAKIHGBPA-MRXNPFEDSA-N 2 1 309.454 0.491 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100418652 763565869 /nfs/dbraw/zinc/56/58/69/763565869.db2.gz DRHRNTVPRYQIDB-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681683 763935513 /nfs/dbraw/zinc/93/55/13/763935513.db2.gz GIVZIMFDKLBZDZ-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432261 764093907 /nfs/dbraw/zinc/09/39/07/764093907.db2.gz JTGCKIPEHDGXKP-WBVHZDCISA-N 2 1 307.438 0.368 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092287251 768264876 /nfs/dbraw/zinc/26/48/76/768264876.db2.gz XQDJZVGQMCKYAX-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092287251 768264882 /nfs/dbraw/zinc/26/48/82/768264882.db2.gz XQDJZVGQMCKYAX-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092287251 768264885 /nfs/dbraw/zinc/26/48/85/768264885.db2.gz XQDJZVGQMCKYAX-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092287251 768264889 /nfs/dbraw/zinc/26/48/89/768264889.db2.gz XQDJZVGQMCKYAX-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092286539 768265342 /nfs/dbraw/zinc/26/53/42/768265342.db2.gz GKVDSZMXHHBEJZ-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092286539 768265347 /nfs/dbraw/zinc/26/53/47/768265347.db2.gz GKVDSZMXHHBEJZ-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092286539 768265351 /nfs/dbraw/zinc/26/53/51/768265351.db2.gz GKVDSZMXHHBEJZ-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092286539 768265355 /nfs/dbraw/zinc/26/53/55/768265355.db2.gz GKVDSZMXHHBEJZ-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133908074 765220235 /nfs/dbraw/zinc/22/02/35/765220235.db2.gz GNYKSJXJOBJCSG-ZDUSSCGKSA-N 2 1 312.458 0.361 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206052 765473910 /nfs/dbraw/zinc/47/39/10/765473910.db2.gz FQWDHFRVFKSTEN-YNEHKIRRSA-N 2 1 317.355 0.940 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093861 765801769 /nfs/dbraw/zinc/80/17/69/765801769.db2.gz UJAGJHRDJHEIMQ-KGLIPLIRSA-N 2 1 308.426 0.011 20 30 DCEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725333 766257231 /nfs/dbraw/zinc/25/72/31/766257231.db2.gz HPZCTDVOYOPAAA-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725333 766257235 /nfs/dbraw/zinc/25/72/35/766257235.db2.gz HPZCTDVOYOPAAA-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001159725333 766257240 /nfs/dbraw/zinc/25/72/40/766257240.db2.gz HPZCTDVOYOPAAA-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725333 766257247 /nfs/dbraw/zinc/25/72/47/766257247.db2.gz HPZCTDVOYOPAAA-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001091069237 766885603 /nfs/dbraw/zinc/88/56/03/766885603.db2.gz SBUPAVHWXYKVFC-DQPZFDDXSA-N 2 1 319.449 0.747 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333743 767425752 /nfs/dbraw/zinc/42/57/52/767425752.db2.gz QRIMCWMVGOOLMV-CHWSQXEVSA-N 2 1 321.425 0.367 20 30 DCEDMP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177975 767733278 /nfs/dbraw/zinc/73/32/78/767733278.db2.gz PUPMWGIEJRQLRT-XOGYLQAWSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001093412923 768563379 /nfs/dbraw/zinc/56/33/79/768563379.db2.gz BHBAHDBQUMKPOZ-HJOIGYKYSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155822544 770631226 /nfs/dbraw/zinc/63/12/26/770631226.db2.gz UFHBVXVEXQJPSL-OAHLLOKOSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156882295 770953375 /nfs/dbraw/zinc/95/33/75/770953375.db2.gz BXYLWABEVXLLPQ-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156882295 770953380 /nfs/dbraw/zinc/95/33/80/770953380.db2.gz BXYLWABEVXLLPQ-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156882295 770953385 /nfs/dbraw/zinc/95/33/85/770953385.db2.gz BXYLWABEVXLLPQ-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156882295 770953389 /nfs/dbraw/zinc/95/33/89/770953389.db2.gz BXYLWABEVXLLPQ-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927235 770966705 /nfs/dbraw/zinc/96/67/05/770966705.db2.gz HOFCZCQSHHPNOM-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157108939 771537771 /nfs/dbraw/zinc/53/77/71/771537771.db2.gz DYRQGCVNDDSSGN-CQSZACIVSA-N 2 1 312.458 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157108939 771537774 /nfs/dbraw/zinc/53/77/74/771537774.db2.gz DYRQGCVNDDSSGN-CQSZACIVSA-N 2 1 312.458 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157108939 771537777 /nfs/dbraw/zinc/53/77/77/771537777.db2.gz DYRQGCVNDDSSGN-CQSZACIVSA-N 2 1 312.458 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157108939 771537779 /nfs/dbraw/zinc/53/77/79/771537779.db2.gz DYRQGCVNDDSSGN-CQSZACIVSA-N 2 1 312.458 0.455 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001183249427 771628350 /nfs/dbraw/zinc/62/83/50/771628350.db2.gz HXLYTXWUXVCCDG-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158485971 771781936 /nfs/dbraw/zinc/78/19/36/771781936.db2.gz CMBHLEXWDZHICN-STQMWFEESA-N 2 1 301.818 0.698 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001184962108 771847009 /nfs/dbraw/zinc/84/70/09/771847009.db2.gz OXGOAXOGZDIMDO-KFWWJZLASA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001159356174 771900726 /nfs/dbraw/zinc/90/07/26/771900726.db2.gz UQYZOFKZFIDNFD-GJZGRUSLSA-N 2 1 324.469 0.647 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncc2c(n1)CC[NH2+]C2 ZINC001159921405 771977195 /nfs/dbraw/zinc/97/71/95/771977195.db2.gz SBXGMBRQGWVTMV-ZDUSSCGKSA-N 2 1 319.409 0.761 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160274946 772017499 /nfs/dbraw/zinc/01/74/99/772017499.db2.gz XTDQADWHTYGOPB-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171292 772335714 /nfs/dbraw/zinc/33/57/14/772335714.db2.gz MMFISZFQXWLXMQ-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)(COC)CC1 ZINC001162481788 772378715 /nfs/dbraw/zinc/37/87/15/772378715.db2.gz FTWCOMRKJVZNHD-CVEARBPZSA-N 2 1 321.465 0.662 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162603961 772396367 /nfs/dbraw/zinc/39/63/67/772396367.db2.gz FEOMNYXJUYICDE-HNNXBMFYSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)(COC)CC1 ZINC001162617945 772398795 /nfs/dbraw/zinc/39/87/95/772398795.db2.gz QZUZSDJCRPQPCY-UHFFFAOYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148862 772590236 /nfs/dbraw/zinc/59/02/36/772590236.db2.gz KRBHIWQFTMHQQB-HRCADAONSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148862 772590241 /nfs/dbraw/zinc/59/02/41/772590241.db2.gz KRBHIWQFTMHQQB-HRCADAONSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148862 772590244 /nfs/dbraw/zinc/59/02/44/772590244.db2.gz KRBHIWQFTMHQQB-HRCADAONSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191784370 772827391 /nfs/dbraw/zinc/82/73/91/772827391.db2.gz CKTNMTZNDBZPBO-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191784370 772827396 /nfs/dbraw/zinc/82/73/96/772827396.db2.gz CKTNMTZNDBZPBO-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191784370 772827402 /nfs/dbraw/zinc/82/74/02/772827402.db2.gz CKTNMTZNDBZPBO-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191784370 772827408 /nfs/dbraw/zinc/82/74/08/772827408.db2.gz CKTNMTZNDBZPBO-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166677722 772839486 /nfs/dbraw/zinc/83/94/86/772839486.db2.gz MATHZMNGVFYDSE-KGLIPLIRSA-N 2 1 310.442 0.115 20 30 DCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001205344190 772988353 /nfs/dbraw/zinc/98/83/53/772988353.db2.gz CKGZOKAJHLQXER-HZPDHXFCSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001205345596 772988362 /nfs/dbraw/zinc/98/83/62/772988362.db2.gz RYNICBLRCSFSRD-JKSUJKDBSA-N 2 1 305.422 0.311 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193641976 773093553 /nfs/dbraw/zinc/09/35/53/773093553.db2.gz JZAGVIUHQWXJOB-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193641976 773093556 /nfs/dbraw/zinc/09/35/56/773093556.db2.gz JZAGVIUHQWXJOB-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193641976 773093558 /nfs/dbraw/zinc/09/35/58/773093558.db2.gz JZAGVIUHQWXJOB-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001206940564 773141879 /nfs/dbraw/zinc/14/18/79/773141879.db2.gz ZTASZVXCSRSKBU-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206940564 773141883 /nfs/dbraw/zinc/14/18/83/773141883.db2.gz ZTASZVXCSRSKBU-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550792 773234740 /nfs/dbraw/zinc/23/47/40/773234740.db2.gz JNADRDRVSYVXOM-BMFZPTHFSA-N 2 1 309.454 0.966 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207767541 773296469 /nfs/dbraw/zinc/29/64/69/773296469.db2.gz XTHCIYQUCIODFJ-GDBMZVCRSA-N 2 1 300.406 0.978 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208573479 773501207 /nfs/dbraw/zinc/50/12/07/773501207.db2.gz YTVSQTUGCNEOKD-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196666437 773629816 /nfs/dbraw/zinc/62/98/16/773629816.db2.gz CJRBMQPRKKASNG-HUUCEWRRSA-N 2 1 318.421 0.581 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196666437 773629823 /nfs/dbraw/zinc/62/98/23/773629823.db2.gz CJRBMQPRKKASNG-HUUCEWRRSA-N 2 1 318.421 0.581 20 30 DCEDMP C#Cc1cnc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C#C)n1 ZINC001210262604 773691623 /nfs/dbraw/zinc/69/16/23/773691623.db2.gz ITOREPYSXHDTCQ-UHFFFAOYSA-N 2 1 304.357 0.987 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nocc2C)CC1 ZINC001152330205 773730396 /nfs/dbraw/zinc/73/03/96/773730396.db2.gz IRKHCNDHYVMGOD-UHFFFAOYSA-N 2 1 304.394 0.534 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211038704 773763250 /nfs/dbraw/zinc/76/32/50/773763250.db2.gz KNWLGXDKDNTSCZ-UKRRQHHQSA-N 2 1 306.410 0.831 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211038704 773763254 /nfs/dbraw/zinc/76/32/54/773763254.db2.gz KNWLGXDKDNTSCZ-UKRRQHHQSA-N 2 1 306.410 0.831 20 30 DCEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551031 774041669 /nfs/dbraw/zinc/04/16/69/774041669.db2.gz KEEKCRJZBNHLRX-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551031 774041679 /nfs/dbraw/zinc/04/16/79/774041679.db2.gz KEEKCRJZBNHLRX-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152551031 774041685 /nfs/dbraw/zinc/04/16/85/774041685.db2.gz KEEKCRJZBNHLRX-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152551031 774041688 /nfs/dbraw/zinc/04/16/88/774041688.db2.gz KEEKCRJZBNHLRX-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396980 774069380 /nfs/dbraw/zinc/06/93/80/774069380.db2.gz MMQHWORVWDZTJA-LTIDMASMSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001219032291 774352562 /nfs/dbraw/zinc/35/25/62/774352562.db2.gz ZDODMQCKSKFYMH-OWCLPIDISA-N 2 1 323.437 0.052 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032291 774352566 /nfs/dbraw/zinc/35/25/66/774352566.db2.gz ZDODMQCKSKFYMH-OWCLPIDISA-N 2 1 323.437 0.052 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032291 774352569 /nfs/dbraw/zinc/35/25/69/774352569.db2.gz ZDODMQCKSKFYMH-OWCLPIDISA-N 2 1 323.437 0.052 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCCO1 ZINC001200858016 774417267 /nfs/dbraw/zinc/41/72/67/774417267.db2.gz CBCQFAZZIYOFGT-AWEZNQCLSA-N 2 1 322.409 0.743 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCCO1 ZINC001200858018 774417495 /nfs/dbraw/zinc/41/74/95/774417495.db2.gz CBCQFAZZIYOFGT-CQSZACIVSA-N 2 1 322.409 0.743 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCO1 ZINC001200866798 774421852 /nfs/dbraw/zinc/42/18/52/774421852.db2.gz XVIKMDMXSFEBSZ-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200982533 774435431 /nfs/dbraw/zinc/43/54/31/774435431.db2.gz AFZWUCKQUSMYPB-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001201320929 774487355 /nfs/dbraw/zinc/48/73/55/774487355.db2.gz BYBBNLLXILHUIW-UHFFFAOYSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202070117 774597358 /nfs/dbraw/zinc/59/73/58/774597358.db2.gz QXHDISRKLHSCGL-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202504637 774771627 /nfs/dbraw/zinc/77/16/27/774771627.db2.gz VEDNMIHCLOWSAK-DZGCQCFKSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC001220868672 774939886 /nfs/dbraw/zinc/93/98/86/774939886.db2.gz ONIOJHVMPYBEBB-YDHLFZDLSA-N 2 1 310.442 0.243 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001229184994 776166346 /nfs/dbraw/zinc/16/63/46/776166346.db2.gz FPCANWSXNNMMSX-HOCLYGCPSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262600 776270887 /nfs/dbraw/zinc/27/08/87/776270887.db2.gz JJGYJOAETPIEFN-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270810 777822301 /nfs/dbraw/zinc/82/23/01/777822301.db2.gz SNEQFLUSGDWIOY-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270810 777822309 /nfs/dbraw/zinc/82/23/09/777822309.db2.gz SNEQFLUSGDWIOY-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001317810985 945193877 /nfs/dbraw/zinc/19/38/77/945193877.db2.gz HPDOXRODSBYTQZ-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H]1CCCOC1 ZINC001480876146 939133291 /nfs/dbraw/zinc/13/32/91/939133291.db2.gz ZJWHIDCIXJPVHO-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@H]1CCCOC1 ZINC001480876146 939133295 /nfs/dbraw/zinc/13/32/95/939133295.db2.gz ZJWHIDCIXJPVHO-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H]1CCCOC1 ZINC001480876146 939133298 /nfs/dbraw/zinc/13/32/98/939133298.db2.gz ZJWHIDCIXJPVHO-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H]1CCCOC1 ZINC001480876146 939133301 /nfs/dbraw/zinc/13/33/01/939133301.db2.gz ZJWHIDCIXJPVHO-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266586461 939171733 /nfs/dbraw/zinc/17/17/33/939171733.db2.gz ZKOIFSMOFWHYCJ-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266586461 939171734 /nfs/dbraw/zinc/17/17/34/939171734.db2.gz ZKOIFSMOFWHYCJ-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001266586461 939171737 /nfs/dbraw/zinc/17/17/37/939171737.db2.gz ZKOIFSMOFWHYCJ-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001266586461 939171738 /nfs/dbraw/zinc/17/17/38/939171738.db2.gz ZKOIFSMOFWHYCJ-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266822530 939246002 /nfs/dbraw/zinc/24/60/02/939246002.db2.gz ACJLNMLLHFUTRU-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001267130825 939353810 /nfs/dbraw/zinc/35/38/10/939353810.db2.gz ACXAWMVWTKZESO-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001267130825 939353814 /nfs/dbraw/zinc/35/38/14/939353814.db2.gz ACXAWMVWTKZESO-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C[C@@H](C)O)C(C)C ZINC001267503078 939478853 /nfs/dbraw/zinc/47/88/53/939478853.db2.gz OKNHPEDSEHQVLS-CVEARBPZSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C[C@@H](C)O)C(C)C ZINC001267503078 939478854 /nfs/dbraw/zinc/47/88/54/939478854.db2.gz OKNHPEDSEHQVLS-CVEARBPZSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C[C@@H](C)O)C(C)C ZINC001267503078 939478856 /nfs/dbraw/zinc/47/88/56/939478856.db2.gz OKNHPEDSEHQVLS-CVEARBPZSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C[C@@H](C)O)C(C)C ZINC001267503078 939478858 /nfs/dbraw/zinc/47/88/58/939478858.db2.gz OKNHPEDSEHQVLS-CVEARBPZSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001267634203 939604474 /nfs/dbraw/zinc/60/44/74/939604474.db2.gz KXWLLYNYOKKCNV-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001267634203 939604475 /nfs/dbraw/zinc/60/44/75/939604475.db2.gz KXWLLYNYOKKCNV-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001267634203 939604476 /nfs/dbraw/zinc/60/44/76/939604476.db2.gz KXWLLYNYOKKCNV-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001267634203 939604478 /nfs/dbraw/zinc/60/44/78/939604478.db2.gz KXWLLYNYOKKCNV-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCCOC)C1 ZINC001267684095 939624791 /nfs/dbraw/zinc/62/47/91/939624791.db2.gz VZQYDUCGAHXLJW-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCCOC)C1 ZINC001267684095 939624793 /nfs/dbraw/zinc/62/47/93/939624793.db2.gz VZQYDUCGAHXLJW-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001481508056 939907248 /nfs/dbraw/zinc/90/72/48/939907248.db2.gz HRQOXZNDYNRYRF-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001481508056 939907250 /nfs/dbraw/zinc/90/72/50/939907250.db2.gz HRQOXZNDYNRYRF-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001481508056 939907252 /nfs/dbraw/zinc/90/72/52/939907252.db2.gz HRQOXZNDYNRYRF-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001481508056 939907254 /nfs/dbraw/zinc/90/72/54/939907254.db2.gz HRQOXZNDYNRYRF-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481522297 939913831 /nfs/dbraw/zinc/91/38/31/939913831.db2.gz DKYZNUKUKSHKFJ-QLFBSQMISA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001268269752 940012871 /nfs/dbraw/zinc/01/28/71/940012871.db2.gz VQJJSASEMHXEBA-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001481692301 940043526 /nfs/dbraw/zinc/04/35/26/940043526.db2.gz IAHNXNCONSSYEG-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001481692301 940043531 /nfs/dbraw/zinc/04/35/31/940043531.db2.gz IAHNXNCONSSYEG-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001318300289 945314875 /nfs/dbraw/zinc/31/48/75/945314875.db2.gz XNIHSQRGGSXNKH-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001318300289 945314883 /nfs/dbraw/zinc/31/48/83/945314883.db2.gz XNIHSQRGGSXNKH-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001318300289 945314892 /nfs/dbraw/zinc/31/48/92/945314892.db2.gz XNIHSQRGGSXNKH-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001318300289 945314901 /nfs/dbraw/zinc/31/49/01/945314901.db2.gz XNIHSQRGGSXNKH-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001318300289 945314909 /nfs/dbraw/zinc/31/49/09/945314909.db2.gz XNIHSQRGGSXNKH-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC)CC[N@H+]1C ZINC001482289571 940902744 /nfs/dbraw/zinc/90/27/44/940902744.db2.gz UUEYNDXPCQVSGE-HRCADAONSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001482761594 941659524 /nfs/dbraw/zinc/65/95/24/941659524.db2.gz JJCNXCVBMCFLKI-IRXDYDNUSA-N 2 1 321.465 0.874 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001483236979 942103174 /nfs/dbraw/zinc/10/31/74/942103174.db2.gz XBMUGXRRKGPUMA-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001483236979 942103176 /nfs/dbraw/zinc/10/31/76/942103176.db2.gz XBMUGXRRKGPUMA-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483293997 942245554 /nfs/dbraw/zinc/24/55/54/942245554.db2.gz PWHRWDHGOQAEAH-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668079 942445388 /nfs/dbraw/zinc/44/53/88/942445388.db2.gz AZMWLURCDQBUAI-OWCLPIDISA-N 2 1 307.438 0.598 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668079 942445397 /nfs/dbraw/zinc/44/53/97/942445397.db2.gz AZMWLURCDQBUAI-OWCLPIDISA-N 2 1 307.438 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203214730 942492697 /nfs/dbraw/zinc/49/26/97/942492697.db2.gz NVXWOGVFAGMOBD-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001272413684 942740640 /nfs/dbraw/zinc/74/06/40/942740640.db2.gz HBXNIRDEBCGCHN-RDJZCZTQSA-N 2 1 321.465 0.731 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001272582919 942847951 /nfs/dbraw/zinc/84/79/51/942847951.db2.gz DCKYJNTWNGBLCJ-QGZVFWFLSA-N 2 1 317.433 0.445 20 30 DCEDMP C#CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484065202 943132060 /nfs/dbraw/zinc/13/20/60/943132060.db2.gz SMMAYJBQEJSPMB-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484065202 943132062 /nfs/dbraw/zinc/13/20/62/943132062.db2.gz SMMAYJBQEJSPMB-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484065202 943132065 /nfs/dbraw/zinc/13/20/65/943132065.db2.gz SMMAYJBQEJSPMB-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001484065202 943132067 /nfs/dbraw/zinc/13/20/67/943132067.db2.gz SMMAYJBQEJSPMB-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001484065202 943132070 /nfs/dbraw/zinc/13/20/70/943132070.db2.gz SMMAYJBQEJSPMB-YOEHRIQHSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001484691665 943511815 /nfs/dbraw/zinc/51/18/15/943511815.db2.gz QXDMALCFKJATFX-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001484872317 943608106 /nfs/dbraw/zinc/60/81/06/943608106.db2.gz ZAMQNUVRJPGCKE-AWEZNQCLSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001484872317 943608109 /nfs/dbraw/zinc/60/81/09/943608109.db2.gz ZAMQNUVRJPGCKE-AWEZNQCLSA-N 2 1 311.426 0.148 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001484938131 943628324 /nfs/dbraw/zinc/62/83/24/943628324.db2.gz VNZLWQLOTOVRTA-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001491080539 943738171 /nfs/dbraw/zinc/73/81/71/943738171.db2.gz IEKUULVPBWQAAR-ZNMIVQPWSA-N 2 1 311.426 0.147 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001491080539 943738175 /nfs/dbraw/zinc/73/81/75/943738175.db2.gz IEKUULVPBWQAAR-ZNMIVQPWSA-N 2 1 311.426 0.147 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001491235618 943854906 /nfs/dbraw/zinc/85/49/06/943854906.db2.gz FBEXJWRMJWBGHV-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001491264703 943878731 /nfs/dbraw/zinc/87/87/31/943878731.db2.gz BNFSDFCYVSBPRM-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001485520234 943980383 /nfs/dbraw/zinc/98/03/83/943980383.db2.gz NNKIPZGCTAWARD-OAHLLOKOSA-N 2 1 321.465 0.947 20 30 DCEDMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(C#N)cc1 ZINC001491420394 943986275 /nfs/dbraw/zinc/98/62/75/943986275.db2.gz JKMVSUGSSPCBRB-XJKSGUPXSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(C#N)cc1 ZINC001491420394 943986283 /nfs/dbraw/zinc/98/62/83/943986283.db2.gz JKMVSUGSSPCBRB-XJKSGUPXSA-N 2 1 316.405 0.483 20 30 DCEDMP Cn1cc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)[C@@H]3C2)cc1C#N ZINC001276463635 944181487 /nfs/dbraw/zinc/18/14/87/944181487.db2.gz XSKJPKCATOZYBR-DOTOQJQBSA-N 2 1 301.438 0.964 20 30 DCEDMP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001316869997 944606415 /nfs/dbraw/zinc/60/64/15/944606415.db2.gz KYEKKHAISWFIKT-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001316869997 944606423 /nfs/dbraw/zinc/60/64/23/944606423.db2.gz KYEKKHAISWFIKT-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001317098111 944794419 /nfs/dbraw/zinc/79/44/19/944794419.db2.gz YAZZVNSUVUHBAF-MRVWCRGKSA-N 2 1 319.409 0.119 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317270816 944890231 /nfs/dbraw/zinc/89/02/31/944890231.db2.gz WOIWPHNNRRIDPU-DZGCQCFKSA-N 2 1 318.421 0.498 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317396770 944954701 /nfs/dbraw/zinc/95/47/01/944954701.db2.gz QESKXMNZKGXNJL-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP N#CCC1CCC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924735 945517664 /nfs/dbraw/zinc/51/76/64/945517664.db2.gz JGYPMTGTEAGPIP-UHFFFAOYSA-N 3 1 309.458 0.575 20 30 DCEDMP N#CCC1CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924735 945517674 /nfs/dbraw/zinc/51/76/74/945517674.db2.gz JGYPMTGTEAGPIP-UHFFFAOYSA-N 2 1 309.458 0.575 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCOCC1 ZINC001278734002 946149167 /nfs/dbraw/zinc/14/91/67/946149167.db2.gz PRAHJLCOYZFIOS-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809851 946429763 /nfs/dbraw/zinc/42/97/63/946429763.db2.gz HTTGZJSDWAUWIU-QGZVFWFLSA-N 2 1 318.421 0.583 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809851 946429769 /nfs/dbraw/zinc/42/97/69/946429769.db2.gz HTTGZJSDWAUWIU-QGZVFWFLSA-N 2 1 318.421 0.583 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001410580855 946592945 /nfs/dbraw/zinc/59/29/45/946592945.db2.gz GNPYVSTXJKBLHB-RISCZKNCSA-N 2 1 322.434 0.281 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279027950 946749941 /nfs/dbraw/zinc/74/99/41/946749941.db2.gz KMMGHLLRRLTCMU-KBPBESRZSA-N 2 1 324.469 0.361 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001325265614 947733294 /nfs/dbraw/zinc/73/32/94/947733294.db2.gz UODJQBVPZPQHSY-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001325265614 947733299 /nfs/dbraw/zinc/73/32/99/947733299.db2.gz UODJQBVPZPQHSY-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001325275341 947734879 /nfs/dbraw/zinc/73/48/79/947734879.db2.gz YGIYOBHTAWGSOE-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325318183 947754230 /nfs/dbraw/zinc/75/42/30/947754230.db2.gz IUCOLKBFOQZUOK-HNNXBMFYSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001326987941 948352995 /nfs/dbraw/zinc/35/29/95/948352995.db2.gz HIKULWDZCQCWFD-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCO1 ZINC001327078133 948389156 /nfs/dbraw/zinc/38/91/56/948389156.db2.gz CEJMQXMWQOXBAW-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001327578479 948557741 /nfs/dbraw/zinc/55/77/41/948557741.db2.gz WPNDQJMBBBTNOS-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001328208317 948746160 /nfs/dbraw/zinc/74/61/60/948746160.db2.gz YLCFPOBYMKKZAC-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001264492468 948986050 /nfs/dbraw/zinc/98/60/50/948986050.db2.gz RZFCULUSIPBTHK-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001264580028 949008097 /nfs/dbraw/zinc/00/80/97/949008097.db2.gz IWAWDUAYAGDUDR-ZDUSSCGKSA-N 2 1 317.393 0.006 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001489169885 949526315 /nfs/dbraw/zinc/52/63/15/949526315.db2.gz UCKLZCTZYNEQIX-JKSUJKDBSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCOC)C2)CC1 ZINC001265318864 949601164 /nfs/dbraw/zinc/60/11/64/949601164.db2.gz FGDUUXTUZBMTFZ-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001329514624 949650287 /nfs/dbraw/zinc/65/02/87/949650287.db2.gz FREBJLFATYSASV-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN(C)[C@H](C)CNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001329514624 949650297 /nfs/dbraw/zinc/65/02/97/949650297.db2.gz FREBJLFATYSASV-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001265596771 949802749 /nfs/dbraw/zinc/80/27/49/949802749.db2.gz KAAAIFRUMMPIIB-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265596771 949802770 /nfs/dbraw/zinc/80/27/70/949802770.db2.gz KAAAIFRUMMPIIB-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265596771 949802792 /nfs/dbraw/zinc/80/27/92/949802792.db2.gz KAAAIFRUMMPIIB-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266230302 950500783 /nfs/dbraw/zinc/50/07/83/950500783.db2.gz NTJSPKGCGYCWTA-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266230302 950500799 /nfs/dbraw/zinc/50/07/99/950500799.db2.gz NTJSPKGCGYCWTA-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP COCC#CC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001490420700 950684556 /nfs/dbraw/zinc/68/45/56/950684556.db2.gz CRNRFJJTVSUCTN-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001273974141 951205493 /nfs/dbraw/zinc/20/54/93/951205493.db2.gz CPEOVAVJWPUAAE-HUUCEWRRSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001281459096 951507415 /nfs/dbraw/zinc/50/74/15/951507415.db2.gz SYZGEWNGVHSJOH-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001332280766 951560598 /nfs/dbraw/zinc/56/05/98/951560598.db2.gz KLSIIIWDADONJB-CHWSQXEVSA-N 2 1 304.394 0.858 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001281676992 951596508 /nfs/dbraw/zinc/59/65/08/951596508.db2.gz SDKMGSPVSDRYRX-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001332341507 951596787 /nfs/dbraw/zinc/59/67/87/951596787.db2.gz PYEQCXFMYODUJU-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nccn1C ZINC001281722483 951609308 /nfs/dbraw/zinc/60/93/08/951609308.db2.gz WQRPJYNBPPEYBV-GJZGRUSLSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nccn1C ZINC001281722483 951609316 /nfs/dbraw/zinc/60/93/16/951609316.db2.gz WQRPJYNBPPEYBV-GJZGRUSLSA-N 2 1 317.437 0.502 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001274825193 951846364 /nfs/dbraw/zinc/84/63/64/951846364.db2.gz NIJWOTDRCQQUOO-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001332986005 951874397 /nfs/dbraw/zinc/87/43/97/951874397.db2.gz XAGIYCLEVPPBBD-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccnn1C ZINC001276052557 952877434 /nfs/dbraw/zinc/87/74/34/952877434.db2.gz LSRNIHVXTISDSA-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccnn1C ZINC001276052557 952877436 /nfs/dbraw/zinc/87/74/36/952877436.db2.gz LSRNIHVXTISDSA-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001283998178 954761678 /nfs/dbraw/zinc/76/16/78/954761678.db2.gz GSBVKAAOECRTDE-TZMCWYRMSA-N 2 1 319.409 0.073 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284066579 954824439 /nfs/dbraw/zinc/82/44/39/954824439.db2.gz HLYWRPVHYUAOON-FUHWJXTLSA-N 2 1 319.449 0.845 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284066579 954824449 /nfs/dbraw/zinc/82/44/49/954824449.db2.gz HLYWRPVHYUAOON-FUHWJXTLSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H]1C ZINC001284130921 954869988 /nfs/dbraw/zinc/86/99/88/954869988.db2.gz XZDVHYVUDSORFK-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H]1C ZINC001284130921 954869999 /nfs/dbraw/zinc/86/99/99/954869999.db2.gz XZDVHYVUDSORFK-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001284878839 955286783 /nfs/dbraw/zinc/28/67/83/955286783.db2.gz WGIHOXPCACZAED-KRWDZBQOSA-N 2 1 307.438 0.560 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001376871009 959026863 /nfs/dbraw/zinc/02/68/63/959026863.db2.gz ZEHCFWKSVUMAIV-OLZOCXBDSA-N 2 1 301.818 0.508 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001527667806 1015520107 /nfs/dbraw/zinc/52/01/07/1015520107.db2.gz QMCQMWSOXUXLAV-HOCLYGCPSA-N 2 1 306.454 0.531 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001420131645 1001921197 /nfs/dbraw/zinc/92/11/97/1001921197.db2.gz CNKZVFNDQXUYCX-QWHCGFSZSA-N 2 1 303.834 0.680 20 30 DCEDMP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C#N)ccc1F ZINC001403699213 1002379199 /nfs/dbraw/zinc/37/91/99/1002379199.db2.gz JVGCUGVCLMETNA-AWEZNQCLSA-N 2 1 322.384 0.216 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001407382644 1004610544 /nfs/dbraw/zinc/61/05/44/1004610544.db2.gz XYLHOCWKBRCBQT-HIFRSBDPSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001407382644 1004610551 /nfs/dbraw/zinc/61/05/51/1004610551.db2.gz XYLHOCWKBRCBQT-HIFRSBDPSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001407382644 1004610556 /nfs/dbraw/zinc/61/05/56/1004610556.db2.gz XYLHOCWKBRCBQT-HIFRSBDPSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001407382644 1004610559 /nfs/dbraw/zinc/61/05/59/1004610559.db2.gz XYLHOCWKBRCBQT-HIFRSBDPSA-N 2 1 315.845 0.634 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC#CCOC)CC2)C1 ZINC001499324749 1017852209 /nfs/dbraw/zinc/85/22/09/1017852209.db2.gz NDJJDTLFSBFOEF-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001497418102 1018124319 /nfs/dbraw/zinc/12/43/19/1018124319.db2.gz NQGMQVUKQQXUMF-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001499954900 1018150246 /nfs/dbraw/zinc/15/02/46/1018150246.db2.gz JQBOCNOBGYMJOM-AWEZNQCLSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001500076755 1018207007 /nfs/dbraw/zinc/20/70/07/1018207007.db2.gz KQBPACMYOMUPMN-CVEARBPZSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001500076755 1018207017 /nfs/dbraw/zinc/20/70/17/1018207017.db2.gz KQBPACMYOMUPMN-CVEARBPZSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001480404467 1018503491 /nfs/dbraw/zinc/50/34/91/1018503491.db2.gz HMOIEIDJHLQMBW-UHFFFAOYSA-N 2 1 318.421 0.858 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCOCC1 ZINC001500589968 1018504332 /nfs/dbraw/zinc/50/43/32/1018504332.db2.gz WMEAHGIOKQQNIU-HZPDHXFCSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001480481226 1018579558 /nfs/dbraw/zinc/57/95/58/1018579558.db2.gz WQONGEREQVSLEI-BBRMVZONSA-N 2 1 318.396 0.913 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001480481226 1018579565 /nfs/dbraw/zinc/57/95/65/1018579565.db2.gz WQONGEREQVSLEI-BBRMVZONSA-N 2 1 318.396 0.913 20 30 DCEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001500686804 1018581253 /nfs/dbraw/zinc/58/12/53/1018581253.db2.gz LVKZWKUNHDEQOF-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001500686804 1018581261 /nfs/dbraw/zinc/58/12/61/1018581261.db2.gz LVKZWKUNHDEQOF-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001500686804 1018581273 /nfs/dbraw/zinc/58/12/73/1018581273.db2.gz LVKZWKUNHDEQOF-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001500750985 1018630866 /nfs/dbraw/zinc/63/08/66/1018630866.db2.gz ODRHTSQTXFPUII-GOSISDBHSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480538070 1018638313 /nfs/dbraw/zinc/63/83/13/1018638313.db2.gz STZITNYTMWKZQJ-KBPBESRZSA-N 2 1 324.469 0.197 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495885846 1018824427 /nfs/dbraw/zinc/82/44/27/1018824427.db2.gz SEZYNNUCWQTDLV-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495885846 1018824448 /nfs/dbraw/zinc/82/44/48/1018824448.db2.gz SEZYNNUCWQTDLV-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)O)CCCC1 ZINC001495918853 1018869293 /nfs/dbraw/zinc/86/92/93/1018869293.db2.gz MCYCKDIPMYWZNJ-GJZGRUSLSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)O)CCCC1 ZINC001495918853 1018869309 /nfs/dbraw/zinc/86/93/09/1018869309.db2.gz MCYCKDIPMYWZNJ-GJZGRUSLSA-N 2 1 307.438 0.483 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC#CCOC)C[C@@H]2C1 ZINC001501240007 1018977279 /nfs/dbraw/zinc/97/72/79/1018977279.db2.gz CYWKNOXTOLXEJQ-IYBDPMFKSA-N 2 1 307.438 0.368 20 30 DCEDMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2C1 ZINC001501240007 1018977290 /nfs/dbraw/zinc/97/72/90/1018977290.db2.gz CYWKNOXTOLXEJQ-IYBDPMFKSA-N 2 1 307.438 0.368 20 30 DCEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001498655380 1019303998 /nfs/dbraw/zinc/30/39/98/1019303998.db2.gz FSKKUSQZAJTQPX-CYBMUJFWSA-N 2 1 303.834 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001498655380 1019304010 /nfs/dbraw/zinc/30/40/10/1019304010.db2.gz FSKKUSQZAJTQPX-CYBMUJFWSA-N 2 1 303.834 0.898 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCO1 ZINC001502056308 1019667865 /nfs/dbraw/zinc/66/78/65/1019667865.db2.gz URRMCYFNYFZQRL-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180446954 237257735 /nfs/dbraw/zinc/25/77/35/237257735.db2.gz IHRDITBXTKUISC-OAHLLOKOSA-N 2 1 306.410 0.304 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(O)cc1 ZINC000264056208 238188459 /nfs/dbraw/zinc/18/84/59/238188459.db2.gz AYIBYBFONUGKHY-UHFFFAOYSA-N 2 1 306.410 0.561 20 30 DCEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598595233 397253207 /nfs/dbraw/zinc/25/32/07/397253207.db2.gz HFNSAOBPCHRIGM-HOTGVXAUSA-N 2 1 308.470 0.999 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736837 397436268 /nfs/dbraw/zinc/43/62/68/397436268.db2.gz MUVQAWDDVMTROG-MELADBBJSA-N 2 1 324.425 0.217 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H](CCOC)C2)CC1 ZINC000490986786 397498816 /nfs/dbraw/zinc/49/88/16/397498816.db2.gz VMSFROXEODRNPW-KRWDZBQOSA-N 2 1 321.465 0.902 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000343745506 415708824 /nfs/dbraw/zinc/70/88/24/415708824.db2.gz ZUGZJNBZBLIYFG-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344009543 415817720 /nfs/dbraw/zinc/81/77/20/415817720.db2.gz AZQRSGNRGCNXQR-OAHLLOKOSA-N 2 1 323.485 0.753 20 30 DCEDMP C[C@@H](C(=O)N(C)CCC#N)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000126410904 415873481 /nfs/dbraw/zinc/87/34/81/415873481.db2.gz QHNGNGXTBOMNQE-HNNXBMFYSA-N 2 1 323.485 0.705 20 30 DCEDMP Cc1nccc(N2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000329572615 416177970 /nfs/dbraw/zinc/17/79/70/416177970.db2.gz NCHLHXADRJASRB-CQSZACIVSA-N 2 1 318.425 0.915 20 30 DCEDMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@]1(CO)CCOC1 ZINC000329667867 416184453 /nfs/dbraw/zinc/18/44/53/416184453.db2.gz QRYFWNINNAFBDF-MRXNPFEDSA-N 2 1 311.426 0.653 20 30 DCEDMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@]1(CO)CCOC1 ZINC000329667867 416184455 /nfs/dbraw/zinc/18/44/55/416184455.db2.gz QRYFWNINNAFBDF-MRXNPFEDSA-N 2 1 311.426 0.653 20 30 DCEDMP C[NH+]=C(NCCn1ccnc1C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261769851 416335511 /nfs/dbraw/zinc/33/55/11/416335511.db2.gz NWWNTBJMRNYLDC-WFASDCNBSA-N 2 1 304.442 0.839 20 30 DCEDMP CCOCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1CC ZINC000424142115 416615806 /nfs/dbraw/zinc/61/58/06/416615806.db2.gz HXDXLGXPIUUDDS-GJZGRUSLSA-N 2 1 310.442 0.967 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000491794823 416628352 /nfs/dbraw/zinc/62/83/52/416628352.db2.gz SWEYHYBBUZPDGT-HNNXBMFYSA-N 2 1 324.469 0.428 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000491794823 416628356 /nfs/dbraw/zinc/62/83/56/416628356.db2.gz SWEYHYBBUZPDGT-HNNXBMFYSA-N 2 1 324.469 0.428 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000491794823 416628359 /nfs/dbraw/zinc/62/83/59/416628359.db2.gz SWEYHYBBUZPDGT-HNNXBMFYSA-N 2 1 324.469 0.428 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000352903113 336375490 /nfs/dbraw/zinc/37/54/90/336375490.db2.gz YCVZBIVBWQZMTF-LSDHHAIUSA-N 2 1 324.469 0.733 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000352903093 336375543 /nfs/dbraw/zinc/37/55/43/336375543.db2.gz YCVZBIVBWQZMTF-CABCVRRESA-N 2 1 324.469 0.733 20 30 DCEDMP C[NH+]=C(NCC1(CO)CCOCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262017263 526350044 /nfs/dbraw/zinc/35/00/44/526350044.db2.gz YBBNLFDCMCVLLU-DZGCQCFKSA-N 2 1 324.469 0.423 20 30 DCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NCc1c(C)nn(C)c1C ZINC000262861028 526367186 /nfs/dbraw/zinc/36/71/86/526367186.db2.gz ZHXUXXUEOJLQBX-UHFFFAOYSA-N 2 1 303.414 0.907 20 30 DCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261878148 526373418 /nfs/dbraw/zinc/37/34/18/526373418.db2.gz VYXOEMGEQKGZPX-MCIONIFRSA-N 2 1 311.474 0.211 20 30 DCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1cnn(C)c1 ZINC000262754221 526378820 /nfs/dbraw/zinc/37/88/20/526378820.db2.gz CTONSQLALXLYQN-OAHLLOKOSA-N 2 1 324.498 0.865 20 30 DCEDMP C[NH+]=C(NCc1c[nH]nc1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261838046 526380702 /nfs/dbraw/zinc/38/07/02/526380702.db2.gz VZLFETKBOCXOSW-CQSZACIVSA-N 2 1 320.441 0.448 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261972104 526382358 /nfs/dbraw/zinc/38/23/58/526382358.db2.gz NATOWGWORULOOB-ZWNOBZJWSA-N 2 1 319.409 0.526 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264055107 529075032 /nfs/dbraw/zinc/07/50/32/529075032.db2.gz ALGYFMOZIYZBAK-CQSZACIVSA-N 2 1 303.410 0.674 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001673342484 1175193502 /nfs/dbraw/zinc/19/35/02/1175193502.db2.gz MQKVRHLQOZMZDB-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000978415856 660535775 /nfs/dbraw/zinc/53/57/75/660535775.db2.gz OYONWTKTGJTOFX-ZSOGYDGISA-N 2 1 304.394 0.830 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000978415856 660535776 /nfs/dbraw/zinc/53/57/76/660535776.db2.gz OYONWTKTGJTOFX-ZSOGYDGISA-N 2 1 304.394 0.830 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC000980454781 660945757 /nfs/dbraw/zinc/94/57/57/660945757.db2.gz YZURQBBRNUHCEV-JKSUJKDBSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)N(C)C)C1 ZINC000980501828 660950128 /nfs/dbraw/zinc/95/01/28/660950128.db2.gz DIMZIZXSZGKLNA-CVEARBPZSA-N 2 1 300.406 0.850 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036920 661093645 /nfs/dbraw/zinc/09/36/45/661093645.db2.gz IZDUOYBOTXNJBN-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036920 661093646 /nfs/dbraw/zinc/09/36/46/661093646.db2.gz IZDUOYBOTXNJBN-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036920 661093648 /nfs/dbraw/zinc/09/36/48/661093648.db2.gz IZDUOYBOTXNJBN-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037510 661093841 /nfs/dbraw/zinc/09/38/41/661093841.db2.gz ZITVLYAGHIPDKI-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037510 661093842 /nfs/dbraw/zinc/09/38/42/661093842.db2.gz ZITVLYAGHIPDKI-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037510 661093843 /nfs/dbraw/zinc/09/38/43/661093843.db2.gz ZITVLYAGHIPDKI-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCN(C(=O)N[C@@H]1CCC[N@H+](CC#C)C1)C1CC[NH+](C)CC1 ZINC000924036437 657514559 /nfs/dbraw/zinc/51/45/59/657514559.db2.gz MZOWPEJUGNJOGL-MRXNPFEDSA-N 2 1 316.449 0.823 20 30 DCEDMP C#CCN(C(=O)N[C@@H]1CCC[N@@H+](CC#C)C1)C1CC[NH+](C)CC1 ZINC000924036437 657514565 /nfs/dbraw/zinc/51/45/65/657514565.db2.gz MZOWPEJUGNJOGL-MRXNPFEDSA-N 2 1 316.449 0.823 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970763081 657884792 /nfs/dbraw/zinc/88/47/92/657884792.db2.gz PLWLDKAHIKJGSP-OLZOCXBDSA-N 2 1 301.818 0.650 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970763081 657884798 /nfs/dbraw/zinc/88/47/98/657884798.db2.gz PLWLDKAHIKJGSP-OLZOCXBDSA-N 2 1 301.818 0.650 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972639874 658139973 /nfs/dbraw/zinc/13/99/73/658139973.db2.gz CDHAAJYAENDAOS-SFHVURJKSA-N 2 1 319.449 0.962 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972639874 658139976 /nfs/dbraw/zinc/13/99/76/658139976.db2.gz CDHAAJYAENDAOS-SFHVURJKSA-N 2 1 319.449 0.962 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972641856 658145531 /nfs/dbraw/zinc/14/55/31/658145531.db2.gz ZLGOCZSPDAMQRC-GOSISDBHSA-N 2 1 317.433 0.409 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972641856 658145538 /nfs/dbraw/zinc/14/55/38/658145538.db2.gz ZLGOCZSPDAMQRC-GOSISDBHSA-N 2 1 317.433 0.409 20 30 DCEDMP C#CC[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999125175 665583862 /nfs/dbraw/zinc/58/38/62/665583862.db2.gz GWNAZQDFXIALJQ-UHFFFAOYSA-N 2 1 300.406 0.974 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024809083 658792746 /nfs/dbraw/zinc/79/27/46/658792746.db2.gz NCHUMPOHGMNQLI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024809083 658792751 /nfs/dbraw/zinc/79/27/51/658792751.db2.gz NCHUMPOHGMNQLI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024809083 658792757 /nfs/dbraw/zinc/79/27/57/658792757.db2.gz NCHUMPOHGMNQLI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024809083 658792764 /nfs/dbraw/zinc/79/27/64/658792764.db2.gz NCHUMPOHGMNQLI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970325311 658863420 /nfs/dbraw/zinc/86/34/20/658863420.db2.gz DBIVVCWPPVMVJV-GOEBONIOSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970325311 658863425 /nfs/dbraw/zinc/86/34/25/658863425.db2.gz DBIVVCWPPVMVJV-GOEBONIOSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008279833 659295750 /nfs/dbraw/zinc/29/57/50/659295750.db2.gz JTWGYAYZNRMDHK-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008279833 659295753 /nfs/dbraw/zinc/29/57/53/659295753.db2.gz JTWGYAYZNRMDHK-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279833 659295758 /nfs/dbraw/zinc/29/57/58/659295758.db2.gz JTWGYAYZNRMDHK-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279833 659295763 /nfs/dbraw/zinc/29/57/63/659295763.db2.gz JTWGYAYZNRMDHK-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849379 659693861 /nfs/dbraw/zinc/69/38/61/659693861.db2.gz GSMCMKYEHCNXEB-DIODGJHASA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849379 659693864 /nfs/dbraw/zinc/69/38/64/659693864.db2.gz GSMCMKYEHCNXEB-DIODGJHASA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849379 659693866 /nfs/dbraw/zinc/69/38/66/659693866.db2.gz GSMCMKYEHCNXEB-DIODGJHASA-N 2 1 319.449 0.862 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020402 665732460 /nfs/dbraw/zinc/73/24/60/665732460.db2.gz MMJGLFIVILUIPZ-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041401534 661295661 /nfs/dbraw/zinc/29/56/61/661295661.db2.gz BRHSKYMGLGQYCL-INMHGKMJSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041401534 661295663 /nfs/dbraw/zinc/29/56/63/661295663.db2.gz BRHSKYMGLGQYCL-INMHGKMJSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041401534 661295665 /nfs/dbraw/zinc/29/56/65/661295665.db2.gz BRHSKYMGLGQYCL-INMHGKMJSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041401534 661295667 /nfs/dbraw/zinc/29/56/67/661295667.db2.gz BRHSKYMGLGQYCL-INMHGKMJSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306815 661349271 /nfs/dbraw/zinc/34/92/71/661349271.db2.gz YTJSMOXBHJKYCR-AHCXZYCDSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306815 661349273 /nfs/dbraw/zinc/34/92/73/661349273.db2.gz YTJSMOXBHJKYCR-AHCXZYCDSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306815 661349274 /nfs/dbraw/zinc/34/92/74/661349274.db2.gz YTJSMOXBHJKYCR-AHCXZYCDSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306815 661349276 /nfs/dbraw/zinc/34/92/76/661349276.db2.gz YTJSMOXBHJKYCR-AHCXZYCDSA-N 2 1 319.449 0.509 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698227 661764822 /nfs/dbraw/zinc/76/48/22/661764822.db2.gz DLHAUUHKUYBMRE-JBCIKUTRSA-N 2 1 319.449 0.864 20 30 DCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000985443374 662449226 /nfs/dbraw/zinc/44/92/26/662449226.db2.gz USBDMGUSJAQQGT-JKSUJKDBSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000985443370 662449335 /nfs/dbraw/zinc/44/93/35/662449335.db2.gz USBDMGUSJAQQGT-CVEARBPZSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000985721622 662505368 /nfs/dbraw/zinc/50/53/68/662505368.db2.gz RFUDFAHXUIGDLM-UHFFFAOYSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC(O)CC1 ZINC000262747684 662563192 /nfs/dbraw/zinc/56/31/92/662563192.db2.gz AVXOYQCHRWUVPB-OAHLLOKOSA-N 2 1 314.499 0.846 20 30 DCEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001000691842 665911133 /nfs/dbraw/zinc/91/11/33/665911133.db2.gz BDDRQZGACVEYMG-UHFFFAOYSA-N 2 1 317.437 0.993 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000925317608 662918095 /nfs/dbraw/zinc/91/80/95/662918095.db2.gz REWCVUHQXJDPTI-LSDHHAIUSA-N 2 1 318.421 0.490 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000925317608 662918096 /nfs/dbraw/zinc/91/80/96/662918096.db2.gz REWCVUHQXJDPTI-LSDHHAIUSA-N 2 1 318.421 0.490 20 30 DCEDMP C[N@H+](C[C@@H](O)COc1ccccc1C#N)C1(C[NH3+])CCOCC1 ZINC000903810070 663486992 /nfs/dbraw/zinc/48/69/92/663486992.db2.gz UTSBDDLASRMMIT-OAHLLOKOSA-N 2 1 319.405 0.738 20 30 DCEDMP C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1(C[NH3+])CCOCC1 ZINC000903810070 663486994 /nfs/dbraw/zinc/48/69/94/663486994.db2.gz UTSBDDLASRMMIT-OAHLLOKOSA-N 2 1 319.405 0.738 20 30 DCEDMP C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1(C[NH3+])CCOCC1 ZINC000903810040 663487071 /nfs/dbraw/zinc/48/70/71/663487071.db2.gz SPKQMOBURAGAEG-HNNXBMFYSA-N 2 1 319.405 0.738 20 30 DCEDMP C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1(C[NH3+])CCOCC1 ZINC000903810040 663487073 /nfs/dbraw/zinc/48/70/73/663487073.db2.gz SPKQMOBURAGAEG-HNNXBMFYSA-N 2 1 319.405 0.738 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=S)NCCCN2CCOCC2)C1 ZINC000905571805 663565176 /nfs/dbraw/zinc/56/51/76/663565176.db2.gz SNMFILRDIXNHQT-OAHLLOKOSA-N 2 1 324.494 0.270 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=S)NCCCN2CCOCC2)C1 ZINC000905571805 663565177 /nfs/dbraw/zinc/56/51/77/663565177.db2.gz SNMFILRDIXNHQT-OAHLLOKOSA-N 2 1 324.494 0.270 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000908438028 663755490 /nfs/dbraw/zinc/75/54/90/663755490.db2.gz XRAHAJNMKQJEMF-OAHLLOKOSA-N 2 1 323.437 0.333 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000908438028 663755491 /nfs/dbraw/zinc/75/54/91/663755491.db2.gz XRAHAJNMKQJEMF-OAHLLOKOSA-N 2 1 323.437 0.333 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCC[C@@H](C(=O)OCC)C1 ZINC000908438028 663755492 /nfs/dbraw/zinc/75/54/92/663755492.db2.gz XRAHAJNMKQJEMF-OAHLLOKOSA-N 2 1 323.437 0.333 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+]1CCC[C@@H](C(=O)OCC)C1 ZINC000908438028 663755493 /nfs/dbraw/zinc/75/54/93/663755493.db2.gz XRAHAJNMKQJEMF-OAHLLOKOSA-N 2 1 323.437 0.333 20 30 DCEDMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913523649 664334938 /nfs/dbraw/zinc/33/49/38/664334938.db2.gz HKPFTNIYPKKGBB-HZPDHXFCSA-N 2 1 317.437 0.137 20 30 DCEDMP CC(C)N1CC[NH+](CCCC(=O)NCC#CC[NH+](C)C)CC1 ZINC000913523163 664335148 /nfs/dbraw/zinc/33/51/48/664335148.db2.gz NXTNHXMOIFOVSS-UHFFFAOYSA-N 2 1 308.470 0.474 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992493413 664727316 /nfs/dbraw/zinc/72/73/16/664727316.db2.gz HYSVKUGIRRJNHB-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992493413 664727318 /nfs/dbraw/zinc/72/73/18/664727318.db2.gz HYSVKUGIRRJNHB-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992493413 664727320 /nfs/dbraw/zinc/72/73/20/664727320.db2.gz HYSVKUGIRRJNHB-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992493413 664727321 /nfs/dbraw/zinc/72/73/21/664727321.db2.gz HYSVKUGIRRJNHB-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCOC)[C@@H]2C)CC1 ZINC000994493566 665116551 /nfs/dbraw/zinc/11/65/51/665116551.db2.gz DTJKKORRUHDXMS-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC[C@H]3CCCO3)C2)CC1 ZINC001031435206 665149799 /nfs/dbraw/zinc/14/97/99/665149799.db2.gz TXLWTYYTZQTFRJ-QGZVFWFLSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529322 665311287 /nfs/dbraw/zinc/31/12/87/665311287.db2.gz BSCCHANVTHQBLW-WHJSIAKGSA-N 2 1 303.406 0.321 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529322 665311291 /nfs/dbraw/zinc/31/12/91/665311291.db2.gz BSCCHANVTHQBLW-WHJSIAKGSA-N 2 1 303.406 0.321 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529322 665311293 /nfs/dbraw/zinc/31/12/93/665311293.db2.gz BSCCHANVTHQBLW-WHJSIAKGSA-N 2 1 303.406 0.321 20 30 DCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032529322 665311295 /nfs/dbraw/zinc/31/12/95/665311295.db2.gz BSCCHANVTHQBLW-WHJSIAKGSA-N 2 1 303.406 0.321 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941566334 666023767 /nfs/dbraw/zinc/02/37/67/666023767.db2.gz BWONDPABOYTDBD-HNNXBMFYSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941566334 666023769 /nfs/dbraw/zinc/02/37/69/666023769.db2.gz BWONDPABOYTDBD-HNNXBMFYSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CCC[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031979498 666078885 /nfs/dbraw/zinc/07/88/85/666078885.db2.gz YBQXNRSFAPOTFY-UHFFFAOYSA-N 2 1 316.405 0.955 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#C)C[C@H]2C)CC1 ZINC000945184205 666580363 /nfs/dbraw/zinc/58/03/63/666580363.db2.gz VNFOIZLXVAXIOP-WBVHZDCISA-N 2 1 301.434 0.791 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408923 667183367 /nfs/dbraw/zinc/18/33/67/667183367.db2.gz OHTSPXQCSWYXDA-GJZGRUSLSA-N 2 1 317.437 0.920 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408923 667183370 /nfs/dbraw/zinc/18/33/70/667183370.db2.gz OHTSPXQCSWYXDA-GJZGRUSLSA-N 2 1 317.437 0.920 20 30 DCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997172586 667200110 /nfs/dbraw/zinc/20/01/10/667200110.db2.gz YQOHWJYOSIUFRL-IIAWOOMASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997172586 667200113 /nfs/dbraw/zinc/20/01/13/667200113.db2.gz YQOHWJYOSIUFRL-IIAWOOMASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001035482941 667354928 /nfs/dbraw/zinc/35/49/28/667354928.db2.gz FMUQLGHBQZKOIV-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035482941 667354930 /nfs/dbraw/zinc/35/49/30/667354930.db2.gz FMUQLGHBQZKOIV-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482941 667354932 /nfs/dbraw/zinc/35/49/32/667354932.db2.gz FMUQLGHBQZKOIV-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482941 667354934 /nfs/dbraw/zinc/35/49/34/667354934.db2.gz FMUQLGHBQZKOIV-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCc1cccc(C#N)c1 ZINC000866697638 667388112 /nfs/dbraw/zinc/38/81/12/667388112.db2.gz DQVCEUXDPTUWGB-UHFFFAOYSA-N 2 1 300.406 0.854 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000884127715 667479375 /nfs/dbraw/zinc/47/93/75/667479375.db2.gz LAGNIFLKGLZATN-XHSDSOJGSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000884127715 667479376 /nfs/dbraw/zinc/47/93/76/667479376.db2.gz LAGNIFLKGLZATN-XHSDSOJGSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000884127715 667479378 /nfs/dbraw/zinc/47/93/78/667479378.db2.gz LAGNIFLKGLZATN-XHSDSOJGSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000884127715 667479379 /nfs/dbraw/zinc/47/93/79/667479379.db2.gz LAGNIFLKGLZATN-XHSDSOJGSA-N 2 1 320.437 0.246 20 30 DCEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884192989 667494863 /nfs/dbraw/zinc/49/48/63/667494863.db2.gz SQXNFMRFZWUOOP-BOLLXYOYSA-N 2 1 304.438 0.926 20 30 DCEDMP C#C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCO1 ZINC000839564244 668117381 /nfs/dbraw/zinc/11/73/81/668117381.db2.gz PCOHVWLCLKFZIK-CVEARBPZSA-N 2 1 307.438 0.746 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000764667469 668457486 /nfs/dbraw/zinc/45/74/86/668457486.db2.gz RPJBIQDBRBWUOY-KRWDZBQOSA-N 2 1 317.433 0.987 20 30 DCEDMP COCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876746171 668501041 /nfs/dbraw/zinc/50/10/41/668501041.db2.gz UWQDDXLLVKQKFM-INIZCTEOSA-N 2 1 316.405 0.439 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000876780378 668509537 /nfs/dbraw/zinc/50/95/37/668509537.db2.gz GAPWMORMYXOUDP-CYBMUJFWSA-N 2 1 302.850 0.600 20 30 DCEDMP C[NH+](C)CC1(O)CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000931486906 669210711 /nfs/dbraw/zinc/21/07/11/669210711.db2.gz LXITWGACSWOIOJ-OAHLLOKOSA-N 2 1 308.426 0.183 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000949048521 669696587 /nfs/dbraw/zinc/69/65/87/669696587.db2.gz UCENKXZIHZYQKG-HNNXBMFYSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC000949123401 670265003 /nfs/dbraw/zinc/26/50/03/670265003.db2.gz ANPSRTXZOUVXTD-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949244501 670295858 /nfs/dbraw/zinc/29/58/58/670295858.db2.gz KPTMHQMEIZOOJM-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C[NH+]=C(NCCN1CC[N@@H+](C)C(C)(C)C1)NCc1ccco1 ZINC000849026945 670751116 /nfs/dbraw/zinc/75/11/16/670751116.db2.gz ZPDLKYLDTSOEST-UHFFFAOYSA-N 2 1 307.442 0.971 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000852870306 671180920 /nfs/dbraw/zinc/18/09/20/671180920.db2.gz ROYVKPKWCDALGJ-MRXNPFEDSA-N 2 1 305.422 0.170 20 30 DCEDMP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898148 671189985 /nfs/dbraw/zinc/18/99/85/671189985.db2.gz WIKMJEBEMYQFPQ-SOUVJXGZSA-N 2 1 307.438 0.603 20 30 DCEDMP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000852898148 671189987 /nfs/dbraw/zinc/18/99/87/671189987.db2.gz WIKMJEBEMYQFPQ-SOUVJXGZSA-N 2 1 307.438 0.603 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000834494542 671765053 /nfs/dbraw/zinc/76/50/53/671765053.db2.gz NYDJBXFCHFZYPN-BZUAXINKSA-N 2 1 313.405 0.521 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303881353 685208511 /nfs/dbraw/zinc/20/85/11/685208511.db2.gz KVCLVIOTZNQSDE-HZPDHXFCSA-N 3 1 324.517 0.259 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038534482 694108929 /nfs/dbraw/zinc/10/89/29/694108929.db2.gz HREHUNFFIBRRNA-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534482 694108932 /nfs/dbraw/zinc/10/89/32/694108932.db2.gz HREHUNFFIBRRNA-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534482 694108933 /nfs/dbraw/zinc/10/89/33/694108933.db2.gz HREHUNFFIBRRNA-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC000958554935 687741724 /nfs/dbraw/zinc/74/17/24/687741724.db2.gz JCSMTWJFBFBGPH-IAGOWNOFSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC000958729254 687882272 /nfs/dbraw/zinc/88/22/72/687882272.db2.gz TUKUTQDVDMGNMG-NVXWUHKLSA-N 2 1 315.417 0.404 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961583257 688661544 /nfs/dbraw/zinc/66/15/44/688661544.db2.gz UIHULCSQPKVCFJ-QXSJWSMHSA-N 2 1 305.422 0.165 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961583257 688661545 /nfs/dbraw/zinc/66/15/45/688661545.db2.gz UIHULCSQPKVCFJ-QXSJWSMHSA-N 2 1 305.422 0.165 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000961583257 688661546 /nfs/dbraw/zinc/66/15/46/688661546.db2.gz UIHULCSQPKVCFJ-QXSJWSMHSA-N 2 1 305.422 0.165 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000961583257 688661547 /nfs/dbraw/zinc/66/15/47/688661547.db2.gz UIHULCSQPKVCFJ-QXSJWSMHSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961773482 688729184 /nfs/dbraw/zinc/72/91/84/688729184.db2.gz SXAUFOKNNBVOII-SIXLDLHFSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961773482 688729186 /nfs/dbraw/zinc/72/91/86/688729186.db2.gz SXAUFOKNNBVOII-SIXLDLHFSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001017569507 692940959 /nfs/dbraw/zinc/94/09/59/692940959.db2.gz NBEIMVFFALZPJB-YYIAUSFCSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001017569507 692940962 /nfs/dbraw/zinc/94/09/62/692940962.db2.gz NBEIMVFFALZPJB-YYIAUSFCSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569507 692940964 /nfs/dbraw/zinc/94/09/64/692940964.db2.gz NBEIMVFFALZPJB-YYIAUSFCSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569507 692940967 /nfs/dbraw/zinc/94/09/67/692940967.db2.gz NBEIMVFFALZPJB-YYIAUSFCSA-N 2 1 317.433 0.548 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001020028527 693654323 /nfs/dbraw/zinc/65/43/23/693654323.db2.gz BPHLZGKCHJWRRH-ZQDZILKHSA-N 2 1 320.437 0.104 20 30 DCEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760646 694661343 /nfs/dbraw/zinc/66/13/43/694661343.db2.gz JHDMEPUDKOZFIB-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760646 694661344 /nfs/dbraw/zinc/66/13/44/694661344.db2.gz JHDMEPUDKOZFIB-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760646 694661345 /nfs/dbraw/zinc/66/13/45/694661345.db2.gz JHDMEPUDKOZFIB-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914114 694683383 /nfs/dbraw/zinc/68/33/83/694683383.db2.gz VFCZGDKTBQLJEO-INIZCTEOSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072914114 694683384 /nfs/dbraw/zinc/68/33/84/694683384.db2.gz VFCZGDKTBQLJEO-INIZCTEOSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001072914114 694683386 /nfs/dbraw/zinc/68/33/86/694683386.db2.gz VFCZGDKTBQLJEO-INIZCTEOSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914115 694683461 /nfs/dbraw/zinc/68/34/61/694683461.db2.gz VFCZGDKTBQLJEO-MRXNPFEDSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072914115 694683462 /nfs/dbraw/zinc/68/34/62/694683462.db2.gz VFCZGDKTBQLJEO-MRXNPFEDSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001072914115 694683463 /nfs/dbraw/zinc/68/34/63/694683463.db2.gz VFCZGDKTBQLJEO-MRXNPFEDSA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073561952 694743163 /nfs/dbraw/zinc/74/31/63/694743163.db2.gz GPOPXIKZGYCQCJ-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073561952 694743165 /nfs/dbraw/zinc/74/31/65/694743165.db2.gz GPOPXIKZGYCQCJ-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073561952 694743166 /nfs/dbraw/zinc/74/31/66/694743166.db2.gz GPOPXIKZGYCQCJ-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073561952 694743167 /nfs/dbraw/zinc/74/31/67/694743167.db2.gz GPOPXIKZGYCQCJ-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001073627093 694754995 /nfs/dbraw/zinc/75/49/95/694754995.db2.gz CFFUQOASVXVXQW-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627093 694754996 /nfs/dbraw/zinc/75/49/96/694754996.db2.gz CFFUQOASVXVXQW-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627093 694754997 /nfs/dbraw/zinc/75/49/97/694754997.db2.gz CFFUQOASVXVXQW-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627093 694754998 /nfs/dbraw/zinc/75/49/98/694754998.db2.gz CFFUQOASVXVXQW-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCC=C)CCCO1 ZINC001073639485 694757840 /nfs/dbraw/zinc/75/78/40/694757840.db2.gz HEZZMZMLCJJJNM-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCC=C)CCCO1 ZINC001073639485 694757841 /nfs/dbraw/zinc/75/78/41/694757841.db2.gz HEZZMZMLCJJJNM-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCC=C)CCCO1 ZINC001073639485 694757842 /nfs/dbraw/zinc/75/78/42/694757842.db2.gz HEZZMZMLCJJJNM-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCC=C)CCCO1 ZINC001073639485 694757843 /nfs/dbraw/zinc/75/78/43/694757843.db2.gz HEZZMZMLCJJJNM-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC)CCCO2)CC1 ZINC001073899173 694798609 /nfs/dbraw/zinc/79/86/09/694798609.db2.gz MSFXESRRNDHEMR-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001074757110 694920971 /nfs/dbraw/zinc/92/09/71/694920971.db2.gz ITUFQNVFGVHHHQ-MLURZJSDSA-N 2 1 303.406 0.062 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576304 695029290 /nfs/dbraw/zinc/02/92/90/695029290.db2.gz FJBIGHORPRMZDF-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576304 695029291 /nfs/dbraw/zinc/02/92/91/695029291.db2.gz FJBIGHORPRMZDF-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570768117 1162617265 /nfs/dbraw/zinc/61/72/65/1162617265.db2.gz UOZSBBQPMRXXLE-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001570768117 1162617268 /nfs/dbraw/zinc/61/72/68/1162617268.db2.gz UOZSBBQPMRXXLE-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001571456914 1162768474 /nfs/dbraw/zinc/76/84/74/1162768474.db2.gz LLLNROLDKQKBCC-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001571492131 1162781618 /nfs/dbraw/zinc/78/16/18/1162781618.db2.gz ZZSRCHRHAJZIRM-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001676423836 1175445322 /nfs/dbraw/zinc/44/53/22/1175445322.db2.gz KJPKOGYGRDNUBH-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001691106037 1157582524 /nfs/dbraw/zinc/58/25/24/1157582524.db2.gz PHZQJOHXGVAXQE-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001692245006 1157720159 /nfs/dbraw/zinc/72/01/59/1157720159.db2.gz KSGBERUSOLYCSM-OAHLLOKOSA-N 2 1 305.422 0.001 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001691510100 1158148844 /nfs/dbraw/zinc/14/88/44/1158148844.db2.gz DRWORTBBNIPJOC-ZNMIVQPWSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001691510100 1158148848 /nfs/dbraw/zinc/14/88/48/1158148848.db2.gz DRWORTBBNIPJOC-ZNMIVQPWSA-N 2 1 324.469 0.598 20 30 DCEDMP C=C(C)C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001691524925 1158201237 /nfs/dbraw/zinc/20/12/37/1158201237.db2.gz OOAQZMQDSRMIDW-HZPDHXFCSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691524925 1158201242 /nfs/dbraw/zinc/20/12/42/1158201242.db2.gz OOAQZMQDSRMIDW-HZPDHXFCSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691524925 1158201248 /nfs/dbraw/zinc/20/12/48/1158201248.db2.gz OOAQZMQDSRMIDW-HZPDHXFCSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001691536079 1158319355 /nfs/dbraw/zinc/31/93/55/1158319355.db2.gz POPAEHGZFDDNFQ-INIZCTEOSA-N 2 1 309.454 0.944 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC#CCOC)CC[C@@H]2C1 ZINC001566052115 1159870355 /nfs/dbraw/zinc/87/03/55/1159870355.db2.gz QZEYJASEVOMDRA-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)CC[C@@H]2C1 ZINC001566052115 1159870368 /nfs/dbraw/zinc/87/03/68/1159870368.db2.gz QZEYJASEVOMDRA-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC#CCOC)CC[C@@H]2C1 ZINC001566052115 1159870382 /nfs/dbraw/zinc/87/03/82/1159870382.db2.gz QZEYJASEVOMDRA-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](CC)OC)C1 ZINC001566793395 1160154990 /nfs/dbraw/zinc/15/49/90/1160154990.db2.gz QLVWZQQTMRBMCG-VGWMRTNUSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](CC)OC)C1 ZINC001566793395 1160154994 /nfs/dbraw/zinc/15/49/94/1160154994.db2.gz QLVWZQQTMRBMCG-VGWMRTNUSA-N 2 1 307.438 0.746 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567402694 1160350477 /nfs/dbraw/zinc/35/04/77/1160350477.db2.gz GRSLUTMNRUEOJN-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567402694 1160350485 /nfs/dbraw/zinc/35/04/85/1160350485.db2.gz GRSLUTMNRUEOJN-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567402694 1160350490 /nfs/dbraw/zinc/35/04/90/1160350490.db2.gz GRSLUTMNRUEOJN-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001567449262 1160370477 /nfs/dbraw/zinc/37/04/77/1160370477.db2.gz RXAQRMCTJRSWSF-UHFFFAOYSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001567449262 1160370482 /nfs/dbraw/zinc/37/04/82/1160370482.db2.gz RXAQRMCTJRSWSF-UHFFFAOYSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001567701133 1160459084 /nfs/dbraw/zinc/45/90/84/1160459084.db2.gz CLXZZCVMDBDGPY-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001567701133 1160459089 /nfs/dbraw/zinc/45/90/89/1160459089.db2.gz CLXZZCVMDBDGPY-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567701133 1160459092 /nfs/dbraw/zinc/45/90/92/1160459092.db2.gz CLXZZCVMDBDGPY-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H](CC)OC ZINC001568485700 1160656854 /nfs/dbraw/zinc/65/68/54/1160656854.db2.gz GWNQLBOSEXYVFB-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H](CC)OC ZINC001568485700 1160656856 /nfs/dbraw/zinc/65/68/56/1160656856.db2.gz GWNQLBOSEXYVFB-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H](CC)OC ZINC001568485700 1160656857 /nfs/dbraw/zinc/65/68/57/1160656857.db2.gz GWNQLBOSEXYVFB-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H](CC)OC ZINC001568485700 1160656859 /nfs/dbraw/zinc/65/68/59/1160656859.db2.gz GWNQLBOSEXYVFB-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cnn(C)c1 ZINC001568641988 1160720694 /nfs/dbraw/zinc/72/06/94/1160720694.db2.gz DNVBIVNCLCLXFB-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cnn(C)c1 ZINC001568641988 1160720707 /nfs/dbraw/zinc/72/07/07/1160720707.db2.gz DNVBIVNCLCLXFB-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H]1CCCOC1 ZINC001568748751 1160758643 /nfs/dbraw/zinc/75/86/43/1160758643.db2.gz JJQJSVVBUMVSLT-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H]1CCCOC1 ZINC001568748751 1160758650 /nfs/dbraw/zinc/75/86/50/1160758650.db2.gz JJQJSVVBUMVSLT-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568800653 1160778043 /nfs/dbraw/zinc/77/80/43/1160778043.db2.gz NPQMNBBSIJKOMG-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001569526749 1161087802 /nfs/dbraw/zinc/08/78/02/1161087802.db2.gz LVBWGWRNCXVBMO-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001569728330 1161208083 /nfs/dbraw/zinc/20/80/83/1161208083.db2.gz REIMZIQQCZPNMS-CQSZACIVSA-N 2 1 311.426 0.148 20 30 DCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001569728330 1161208087 /nfs/dbraw/zinc/20/80/87/1161208087.db2.gz REIMZIQQCZPNMS-CQSZACIVSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001569750927 1161222548 /nfs/dbraw/zinc/22/25/48/1161222548.db2.gz HBHHHWAPBAEQLS-MRXNPFEDSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2C1 ZINC001569882039 1161293098 /nfs/dbraw/zinc/29/30/98/1161293098.db2.gz MSOXLTOHSDFUJR-IYBDPMFKSA-N 2 1 318.421 0.784 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001569882039 1161293101 /nfs/dbraw/zinc/29/31/01/1161293101.db2.gz MSOXLTOHSDFUJR-IYBDPMFKSA-N 2 1 318.421 0.784 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001569882039 1161293106 /nfs/dbraw/zinc/29/31/06/1161293106.db2.gz MSOXLTOHSDFUJR-IYBDPMFKSA-N 2 1 318.421 0.784 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001570048822 1161392974 /nfs/dbraw/zinc/39/29/74/1161392974.db2.gz XKNVXEJCZJZEFO-BZUAXINKSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001570048822 1161392977 /nfs/dbraw/zinc/39/29/77/1161392977.db2.gz XKNVXEJCZJZEFO-BZUAXINKSA-N 2 1 307.438 0.605 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001580043148 1165483219 /nfs/dbraw/zinc/48/32/19/1165483219.db2.gz JEPDXXWBAKTTSO-CLPSQLOGSA-N 2 1 302.422 0.869 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001625598797 1171475222 /nfs/dbraw/zinc/47/52/22/1171475222.db2.gz DAXAODNWQXXUCX-UHFFFAOYSA-N 2 1 322.453 0.117 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001626449428 1171481476 /nfs/dbraw/zinc/48/14/76/1171481476.db2.gz MOXVHYYZONYVNK-MRXNPFEDSA-N 3 1 310.486 0.979 20 30 DCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC[C@H]21 ZINC001646151430 1172275100 /nfs/dbraw/zinc/27/51/00/1172275100.db2.gz HILLAIXOYUASMG-LQCZDEPNSA-N 2 1 302.422 0.678 20 30 DCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001673264393 1173916990 /nfs/dbraw/zinc/91/69/90/1173916990.db2.gz QUIOLRSAFSLTKV-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001673264393 1173916993 /nfs/dbraw/zinc/91/69/93/1173916993.db2.gz QUIOLRSAFSLTKV-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001661486749 1174130054 /nfs/dbraw/zinc/13/00/54/1174130054.db2.gz AYVISSWFIOGUAZ-WKILWMFISA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001662696127 1174233521 /nfs/dbraw/zinc/23/35/21/1174233521.db2.gz RANGIARIFOSCIX-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001663481661 1174306591 /nfs/dbraw/zinc/30/65/91/1174306591.db2.gz MOEPUFNPKCQDKV-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001663481661 1174306598 /nfs/dbraw/zinc/30/65/98/1174306598.db2.gz MOEPUFNPKCQDKV-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001663481661 1174306602 /nfs/dbraw/zinc/30/66/02/1174306602.db2.gz MOEPUFNPKCQDKV-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001663481661 1174306610 /nfs/dbraw/zinc/30/66/10/1174306610.db2.gz MOEPUFNPKCQDKV-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001668242745 1174772397 /nfs/dbraw/zinc/77/23/97/1174772397.db2.gz DWJLCAKQQTWHKE-ZDUSSCGKSA-N 2 1 303.834 0.946 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001672043955 1175070275 /nfs/dbraw/zinc/07/02/75/1175070275.db2.gz DSHCJIRJXXJWNJ-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001672487395 1175115137 /nfs/dbraw/zinc/11/51/37/1175115137.db2.gz TUORZUNUOXEEEF-AEFFLSMTSA-N 2 1 321.465 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCOC)C1 ZINC001672809241 1175154344 /nfs/dbraw/zinc/15/43/44/1175154344.db2.gz ACPMLCFULLTNOI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCOC)C1 ZINC001672809241 1175154347 /nfs/dbraw/zinc/15/43/47/1175154347.db2.gz ACPMLCFULLTNOI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC001673342484 1175193498 /nfs/dbraw/zinc/19/34/98/1175193498.db2.gz MQKVRHLQOZMZDB-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001673475192 1175205169 /nfs/dbraw/zinc/20/51/69/1175205169.db2.gz VDNIDOHOWZGGMF-UHFFFAOYSA-N 2 1 319.453 0.862 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001673709571 1175226986 /nfs/dbraw/zinc/22/69/86/1175226986.db2.gz SNDKUIJFOJZLBJ-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001674310941 1175268569 /nfs/dbraw/zinc/26/85/69/1175268569.db2.gz IAVYJDUBNWAQGF-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001677138590 1175535482 /nfs/dbraw/zinc/53/54/82/1175535482.db2.gz UTJPYFZECAKVOY-HOTGVXAUSA-N 2 1 305.422 0.884 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001677448419 1175564897 /nfs/dbraw/zinc/56/48/97/1175564897.db2.gz IEARMASOYAPMLY-WLYUNCDWSA-N 2 1 322.453 0.044 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001692234358 1177455045 /nfs/dbraw/zinc/45/50/45/1177455045.db2.gz URWQTWHVROBEBI-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001699060028 1177810496 /nfs/dbraw/zinc/81/04/96/1177810496.db2.gz CAEDQRWIBIZTBP-HOTGVXAUSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCO1 ZINC001699270838 1178010940 /nfs/dbraw/zinc/01/09/40/1178010940.db2.gz KDPVLQXVHAYCLE-QCDWVSHVSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCO1 ZINC001699270838 1178010950 /nfs/dbraw/zinc/01/09/50/1178010950.db2.gz KDPVLQXVHAYCLE-QCDWVSHVSA-N 2 1 319.449 0.915 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001699593675 1178210418 /nfs/dbraw/zinc/21/04/18/1178210418.db2.gz NBCUEEVYTHXMKB-XIRDDKMYSA-N 2 1 321.465 0.851 20 30 DCEDMP C=CCOCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001700089082 1178475411 /nfs/dbraw/zinc/47/54/11/1178475411.db2.gz TYVSMUJKXXYZES-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001700093036 1178476068 /nfs/dbraw/zinc/47/60/68/1178476068.db2.gz CNOYZLKGOHFNGW-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001700093036 1178476073 /nfs/dbraw/zinc/47/60/73/1178476073.db2.gz CNOYZLKGOHFNGW-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001700490973 1178634037 /nfs/dbraw/zinc/63/40/37/1178634037.db2.gz QSFLMCZVMWWFIJ-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001700490973 1178634042 /nfs/dbraw/zinc/63/40/42/1178634042.db2.gz QSFLMCZVMWWFIJ-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001700497191 1178638863 /nfs/dbraw/zinc/63/88/63/1178638863.db2.gz LWWJVIIJFIZJJT-UHFFFAOYSA-N 2 1 307.438 0.601 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCCO)C1CC1 ZINC001700724338 1178722172 /nfs/dbraw/zinc/72/21/72/1178722172.db2.gz VJRCJUKQOWXAKK-HOTGVXAUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCCO)C1CC1 ZINC001700724338 1178722174 /nfs/dbraw/zinc/72/21/74/1178722174.db2.gz VJRCJUKQOWXAKK-HOTGVXAUSA-N 2 1 307.438 0.293 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001700853596 1178778648 /nfs/dbraw/zinc/77/86/48/1178778648.db2.gz KIVICZUQZBYZAU-ZFWWWQNUSA-N 2 1 304.394 0.420 20 30 DCEDMP C=CCC[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001713066478 1180658889 /nfs/dbraw/zinc/65/88/89/1180658889.db2.gz DFCZLHPDEILUCF-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP C=CCC[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001713066478 1180658894 /nfs/dbraw/zinc/65/88/94/1180658894.db2.gz DFCZLHPDEILUCF-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001713078956 1180671945 /nfs/dbraw/zinc/67/19/45/1180671945.db2.gz MBVYCOPXUAQXCB-UHFFFAOYSA-N 2 1 306.454 0.229 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001713321451 1180767182 /nfs/dbraw/zinc/76/71/82/1180767182.db2.gz PFIPBLMLNMNNDI-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001713399753 1180799964 /nfs/dbraw/zinc/79/99/64/1180799964.db2.gz SCLRNPCJAVROEG-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001713399753 1180799968 /nfs/dbraw/zinc/79/99/68/1180799968.db2.gz SCLRNPCJAVROEG-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001713399753 1180799971 /nfs/dbraw/zinc/79/99/71/1180799971.db2.gz SCLRNPCJAVROEG-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001713399753 1180799976 /nfs/dbraw/zinc/79/99/76/1180799976.db2.gz SCLRNPCJAVROEG-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1 ZINC001713933070 1181158395 /nfs/dbraw/zinc/15/83/95/1181158395.db2.gz HQKCAGZPDWGMBG-HOTGVXAUSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1 ZINC001713933070 1181158402 /nfs/dbraw/zinc/15/84/02/1181158402.db2.gz HQKCAGZPDWGMBG-HOTGVXAUSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001713933070 1181158411 /nfs/dbraw/zinc/15/84/11/1181158411.db2.gz HQKCAGZPDWGMBG-HOTGVXAUSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001713933070 1181158417 /nfs/dbraw/zinc/15/84/17/1181158417.db2.gz HQKCAGZPDWGMBG-HOTGVXAUSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001714239936 1181290785 /nfs/dbraw/zinc/29/07/85/1181290785.db2.gz YPUCXDNBHWUPIM-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001714239936 1181290788 /nfs/dbraw/zinc/29/07/88/1181290788.db2.gz YPUCXDNBHWUPIM-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714304997 1181314516 /nfs/dbraw/zinc/31/45/16/1181314516.db2.gz JWYHVHAJMTVACU-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnc(C)o1 ZINC001714399822 1181350186 /nfs/dbraw/zinc/35/01/86/1181350186.db2.gz NWKRYKJSINZRFP-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnc(C)o1 ZINC001714399822 1181350188 /nfs/dbraw/zinc/35/01/88/1181350188.db2.gz NWKRYKJSINZRFP-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001714610987 1181440083 /nfs/dbraw/zinc/44/00/83/1181440083.db2.gz VPHVZARVOOEKQA-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001714642847 1181457586 /nfs/dbraw/zinc/45/75/86/1181457586.db2.gz GQIFRRFOAPJXOR-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001714642847 1181457591 /nfs/dbraw/zinc/45/75/91/1181457591.db2.gz GQIFRRFOAPJXOR-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@@H+](CCC)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001714655432 1181463510 /nfs/dbraw/zinc/46/35/10/1181463510.db2.gz NWQNSIYAIFUQDH-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+]([C@@H](C)COC)C2CC2)CC1 ZINC001714676893 1181474588 /nfs/dbraw/zinc/47/45/88/1181474588.db2.gz WEUGAADJQARJHD-HNNXBMFYSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001715008959 1181646895 /nfs/dbraw/zinc/64/68/95/1181646895.db2.gz GDYGXXOWRKZAMV-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001715128170 1181696704 /nfs/dbraw/zinc/69/67/04/1181696704.db2.gz WBFSLXXFQFUOMF-WMLDXEAASA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C[C@@H](C)OC)CC1 ZINC001715540515 1181850535 /nfs/dbraw/zinc/85/05/35/1181850535.db2.gz XGXBTBVKCSYXAT-OAHLLOKOSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCOCC)C1 ZINC001716864535 1182553747 /nfs/dbraw/zinc/55/37/47/1182553747.db2.gz FQRSMWWORDBASC-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCOCC)C1 ZINC001716864535 1182553748 /nfs/dbraw/zinc/55/37/48/1182553748.db2.gz FQRSMWWORDBASC-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716930710 1182586477 /nfs/dbraw/zinc/58/64/77/1182586477.db2.gz UZMVWGJHQKUIAR-MAUKXSAKSA-N 2 1 321.465 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCO)C1 ZINC001717087055 1182671568 /nfs/dbraw/zinc/67/15/68/1182671568.db2.gz PWZFGRINEMGZCE-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCO)C1 ZINC001717087055 1182671570 /nfs/dbraw/zinc/67/15/70/1182671570.db2.gz PWZFGRINEMGZCE-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)C[C@@H](C)O)CC1 ZINC001717376133 1182809170 /nfs/dbraw/zinc/80/91/70/1182809170.db2.gz KWMQRXSAFHWZKS-WBVHZDCISA-N 2 1 321.465 0.635 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001717553436 1182895937 /nfs/dbraw/zinc/89/59/37/1182895937.db2.gz RIGJWOPPXLRWAF-ZBFHGGJFSA-N 2 1 309.454 0.659 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717938826 1183078996 /nfs/dbraw/zinc/07/89/96/1183078996.db2.gz TWRUXAKIVGXVPR-CVEARBPZSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001717938826 1183079002 /nfs/dbraw/zinc/07/90/02/1183079002.db2.gz TWRUXAKIVGXVPR-CVEARBPZSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001717938826 1183079004 /nfs/dbraw/zinc/07/90/04/1183079004.db2.gz TWRUXAKIVGXVPR-CVEARBPZSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001724065110 1184375145 /nfs/dbraw/zinc/37/51/45/1184375145.db2.gz OHELRZFTBVTSFP-INIZCTEOSA-N 2 1 301.434 0.888 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC#CCOC)C1 ZINC001724258884 1184406371 /nfs/dbraw/zinc/40/63/71/1184406371.db2.gz JZIFBUUIZHLAOE-KRWDZBQOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001724428327 1184438736 /nfs/dbraw/zinc/43/87/36/1184438736.db2.gz VHEIIZLVIJVREE-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001724602187 1184470751 /nfs/dbraw/zinc/47/07/51/1184470751.db2.gz JZYGZGFWYTYMEN-CVEARBPZSA-N 2 1 309.454 0.662 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001725000954 1184651916 /nfs/dbraw/zinc/65/19/16/1184651916.db2.gz VMEDWPCJJZGLTD-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001725000954 1184651922 /nfs/dbraw/zinc/65/19/22/1184651922.db2.gz VMEDWPCJJZGLTD-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001725019852 1184658658 /nfs/dbraw/zinc/65/86/58/1184658658.db2.gz JNTGDSGPFLEKBF-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH2+]CC1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001725067698 1184675171 /nfs/dbraw/zinc/67/51/71/1184675171.db2.gz VZWBXLBQXUMHQY-UHFFFAOYSA-N 2 1 304.394 0.858 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725283967 1184753416 /nfs/dbraw/zinc/75/34/16/1184753416.db2.gz OBIUPIFHYXKNPN-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725283967 1184753420 /nfs/dbraw/zinc/75/34/20/1184753420.db2.gz OBIUPIFHYXKNPN-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001725289387 1184754491 /nfs/dbraw/zinc/75/44/91/1184754491.db2.gz BHNWCHNCYFVYRB-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001725289387 1184754494 /nfs/dbraw/zinc/75/44/94/1184754494.db2.gz BHNWCHNCYFVYRB-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001725289387 1184754501 /nfs/dbraw/zinc/75/45/01/1184754501.db2.gz BHNWCHNCYFVYRB-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001725289387 1184754508 /nfs/dbraw/zinc/75/45/08/1184754508.db2.gz BHNWCHNCYFVYRB-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001725614829 1184912213 /nfs/dbraw/zinc/91/22/13/1184912213.db2.gz AQHXEQIXWSMJTD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001725614829 1184912216 /nfs/dbraw/zinc/91/22/16/1184912216.db2.gz AQHXEQIXWSMJTD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001725614829 1184912222 /nfs/dbraw/zinc/91/22/22/1184912222.db2.gz AQHXEQIXWSMJTD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001725614829 1184912226 /nfs/dbraw/zinc/91/22/26/1184912226.db2.gz AQHXEQIXWSMJTD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001731528697 1185375634 /nfs/dbraw/zinc/37/56/34/1185375634.db2.gz GZFGIYKPCCJCTF-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001731542839 1185382074 /nfs/dbraw/zinc/38/20/74/1185382074.db2.gz QRMLEVUTIQEHPM-OAHLLOKOSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001731542839 1185382080 /nfs/dbraw/zinc/38/20/80/1185382080.db2.gz QRMLEVUTIQEHPM-OAHLLOKOSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001731542839 1185382085 /nfs/dbraw/zinc/38/20/85/1185382085.db2.gz QRMLEVUTIQEHPM-OAHLLOKOSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001731542839 1185382090 /nfs/dbraw/zinc/38/20/90/1185382090.db2.gz QRMLEVUTIQEHPM-OAHLLOKOSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001731946849 1185599520 /nfs/dbraw/zinc/59/95/20/1185599520.db2.gz OPIBWDSZHHFTEJ-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732131397 1185689232 /nfs/dbraw/zinc/68/92/32/1185689232.db2.gz NXCBQQVUQKLYBN-CYBMUJFWSA-N 2 1 322.453 0.067 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCC[C@H](C)O)CC1 ZINC001733067976 1186124764 /nfs/dbraw/zinc/12/47/64/1186124764.db2.gz SWVAXBSEBIIECT-HOTGVXAUSA-N 2 1 323.481 0.929 20 30 DCEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001733415701 1186264951 /nfs/dbraw/zinc/26/49/51/1186264951.db2.gz ATTBBVFXLFCYOQ-QGZVFWFLSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001733415701 1186264956 /nfs/dbraw/zinc/26/49/56/1186264956.db2.gz ATTBBVFXLFCYOQ-QGZVFWFLSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001734141363 1186558547 /nfs/dbraw/zinc/55/85/47/1186558547.db2.gz WRWJWIFXECAULU-SFHVURJKSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001734141363 1186558550 /nfs/dbraw/zinc/55/85/50/1186558550.db2.gz WRWJWIFXECAULU-SFHVURJKSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC#CC)C(C)(C)C1 ZINC001734497917 1186667122 /nfs/dbraw/zinc/66/71/22/1186667122.db2.gz ZBJGGRYFZZSVDR-JKSUJKDBSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC#CC)C(C)(C)C1 ZINC001734497917 1186667128 /nfs/dbraw/zinc/66/71/28/1186667128.db2.gz ZBJGGRYFZZSVDR-JKSUJKDBSA-N 2 1 301.434 0.934 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001734636985 1186714990 /nfs/dbraw/zinc/71/49/90/1186714990.db2.gz SLIRBZXLIKWVOR-KRWDZBQOSA-N 2 1 321.465 0.971 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001752375581 1188419147 /nfs/dbraw/zinc/41/91/47/1188419147.db2.gz QFCWKPXHFKPTBC-SJORKVTESA-N 2 1 320.481 0.474 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001752719557 1188434903 /nfs/dbraw/zinc/43/49/03/1188434903.db2.gz GDMQGNFZTGPQPU-MQYQWHSLSA-N 2 1 308.426 0.008 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752841331 1188449374 /nfs/dbraw/zinc/44/93/74/1188449374.db2.gz PGMARQLYLMVUPB-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752841331 1188449376 /nfs/dbraw/zinc/44/93/76/1188449376.db2.gz PGMARQLYLMVUPB-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001752927095 1188463443 /nfs/dbraw/zinc/46/34/43/1188463443.db2.gz LKDUFGPHTFLSBT-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753416077 1188588046 /nfs/dbraw/zinc/58/80/46/1188588046.db2.gz WQYOJZVEAIPMIA-KRWDZBQOSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001754535426 1188876341 /nfs/dbraw/zinc/87/63/41/1188876341.db2.gz HYUSSTOEDCRDJH-GASCZTMLSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001754610016 1188889827 /nfs/dbraw/zinc/88/98/27/1188889827.db2.gz YISMUHBPAXOHMF-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001754861725 1188954547 /nfs/dbraw/zinc/95/45/47/1188954547.db2.gz NVAGGPJORXOQGO-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001754861725 1188954548 /nfs/dbraw/zinc/95/45/48/1188954548.db2.gz NVAGGPJORXOQGO-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001754861725 1188954549 /nfs/dbraw/zinc/95/45/49/1188954549.db2.gz NVAGGPJORXOQGO-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001755312627 1189077726 /nfs/dbraw/zinc/07/77/26/1189077726.db2.gz DMEZFFCIRKYZKV-UONOGXRCSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001755312627 1189077729 /nfs/dbraw/zinc/07/77/29/1189077729.db2.gz DMEZFFCIRKYZKV-UONOGXRCSA-N 2 1 324.469 0.455 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#CCOC)[C@H]1C ZINC001755721001 1189193544 /nfs/dbraw/zinc/19/35/44/1189193544.db2.gz LKVJCRSGUGDCAA-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#CCOC)[C@H]1C ZINC001755721001 1189193548 /nfs/dbraw/zinc/19/35/48/1189193548.db2.gz LKVJCRSGUGDCAA-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#CCOC)[C@H]1C ZINC001755721001 1189193550 /nfs/dbraw/zinc/19/35/50/1189193550.db2.gz LKVJCRSGUGDCAA-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#CCOC)[C@H]1C ZINC001755721001 1189193553 /nfs/dbraw/zinc/19/35/53/1189193553.db2.gz LKVJCRSGUGDCAA-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001755806413 1189225565 /nfs/dbraw/zinc/22/55/65/1189225565.db2.gz DYLYRQKELCZKMY-AWEZNQCLSA-N 2 1 313.442 0.034 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001755886386 1189249373 /nfs/dbraw/zinc/24/93/73/1189249373.db2.gz FUHMGMIBUXNAPF-NVXWUHKLSA-N 2 1 319.449 0.725 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001755886386 1189249377 /nfs/dbraw/zinc/24/93/77/1189249377.db2.gz FUHMGMIBUXNAPF-NVXWUHKLSA-N 2 1 319.449 0.725 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001755886386 1189249379 /nfs/dbraw/zinc/24/93/79/1189249379.db2.gz FUHMGMIBUXNAPF-NVXWUHKLSA-N 2 1 319.449 0.725 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167636841 747440731 /nfs/dbraw/zinc/44/07/31/747440731.db2.gz XQPPJTMJXITTTF-UHFFFAOYSA-N 2 1 324.469 0.507 20 30 DCEDMP C=C(C)C(=O)NCCCNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001167666601 747464881 /nfs/dbraw/zinc/46/48/81/747464881.db2.gz UNLLCXFJJVOYRP-UHFFFAOYSA-N 2 1 303.410 0.986 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326820 748137013 /nfs/dbraw/zinc/13/70/13/748137013.db2.gz HISNDCBLIUJBHT-WFASDCNBSA-N 2 1 318.425 0.135 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326820 748137018 /nfs/dbraw/zinc/13/70/18/748137018.db2.gz HISNDCBLIUJBHT-WFASDCNBSA-N 2 1 318.425 0.135 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456101 749794413 /nfs/dbraw/zinc/79/44/13/749794413.db2.gz GTICDSQTXFZQQF-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456101 749794418 /nfs/dbraw/zinc/79/44/18/749794418.db2.gz GTICDSQTXFZQQF-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696214 750930063 /nfs/dbraw/zinc/93/00/63/750930063.db2.gz PBOKVRCOSUZFAA-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357486 751196023 /nfs/dbraw/zinc/19/60/23/751196023.db2.gz ZFCSMDQWEPERBZ-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CN(C)CCO1)C2 ZINC001045925805 753372500 /nfs/dbraw/zinc/37/25/00/753372500.db2.gz UWROTZNWDQNHCF-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046008926 753411359 /nfs/dbraw/zinc/41/13/59/753411359.db2.gz BSHUAFOYJAQLPH-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046008926 753411363 /nfs/dbraw/zinc/41/13/63/753411363.db2.gz BSHUAFOYJAQLPH-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046008926 753411366 /nfs/dbraw/zinc/41/13/66/753411366.db2.gz BSHUAFOYJAQLPH-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046008927 753411447 /nfs/dbraw/zinc/41/14/47/753411447.db2.gz BSHUAFOYJAQLPH-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046008927 753411448 /nfs/dbraw/zinc/41/14/48/753411448.db2.gz BSHUAFOYJAQLPH-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046008927 753411450 /nfs/dbraw/zinc/41/14/50/753411450.db2.gz BSHUAFOYJAQLPH-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035403 753439410 /nfs/dbraw/zinc/43/94/10/753439410.db2.gz LDMGQAQNYIFFKV-IAGOWNOFSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081541 753470962 /nfs/dbraw/zinc/47/09/62/753470962.db2.gz HEHNHLBJVYNUIO-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081541 753470966 /nfs/dbraw/zinc/47/09/66/753470966.db2.gz HEHNHLBJVYNUIO-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081541 753470969 /nfs/dbraw/zinc/47/09/69/753470969.db2.gz HEHNHLBJVYNUIO-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084330 753473529 /nfs/dbraw/zinc/47/35/29/753473529.db2.gz PVVNDMFFTBAJID-MRXNPFEDSA-N 2 1 315.421 0.043 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084330 753473532 /nfs/dbraw/zinc/47/35/32/753473532.db2.gz PVVNDMFFTBAJID-MRXNPFEDSA-N 2 1 315.421 0.043 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](C[C@H](CC)OC)C2)CC1 ZINC001044335551 753804340 /nfs/dbraw/zinc/80/43/40/753804340.db2.gz JOMXTKAJSOYQGE-KRWDZBQOSA-N 2 1 321.465 0.899 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001047380810 754228568 /nfs/dbraw/zinc/22/85/68/754228568.db2.gz YBQBSJUYVWHHEQ-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380810 754228575 /nfs/dbraw/zinc/22/85/75/754228575.db2.gz YBQBSJUYVWHHEQ-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047380810 754228581 /nfs/dbraw/zinc/22/85/81/754228581.db2.gz YBQBSJUYVWHHEQ-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047380810 754228585 /nfs/dbraw/zinc/22/85/85/754228585.db2.gz YBQBSJUYVWHHEQ-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047501798 754338530 /nfs/dbraw/zinc/33/85/30/754338530.db2.gz WBIYBTRHGVEBJI-VGWMRTNUSA-N 2 1 309.454 0.796 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129064688 754505249 /nfs/dbraw/zinc/50/52/49/754505249.db2.gz LKASBTQCJKNSQT-KFWWJZLASA-N 2 1 320.441 0.536 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129064688 754505251 /nfs/dbraw/zinc/50/52/51/754505251.db2.gz LKASBTQCJKNSQT-KFWWJZLASA-N 2 1 320.441 0.536 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862606 754984760 /nfs/dbraw/zinc/98/47/60/754984760.db2.gz YMUYIUGPJJIAKW-XHSDSOJGSA-N 2 1 317.437 0.390 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862606 754984764 /nfs/dbraw/zinc/98/47/64/754984764.db2.gz YMUYIUGPJJIAKW-XHSDSOJGSA-N 2 1 317.437 0.390 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCOC)C2)CC1 ZINC001072095570 762351899 /nfs/dbraw/zinc/35/18/99/762351899.db2.gz KPOZOMPQKVAYDK-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049790958 755401066 /nfs/dbraw/zinc/40/10/66/755401066.db2.gz OWIXQDXKMWGDMC-IAGOWNOFSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049790958 755401068 /nfs/dbraw/zinc/40/10/68/755401068.db2.gz OWIXQDXKMWGDMC-IAGOWNOFSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090356320 755667638 /nfs/dbraw/zinc/66/76/38/755667638.db2.gz VVOYMNYXKPVCGI-HUUCEWRRSA-N 2 1 307.438 0.600 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161091 756117776 /nfs/dbraw/zinc/11/77/76/756117776.db2.gz MCYQJGVAHRJBMZ-HCBPCCMXSA-N 2 1 317.433 0.309 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080161091 756117781 /nfs/dbraw/zinc/11/77/81/756117781.db2.gz MCYQJGVAHRJBMZ-HCBPCCMXSA-N 2 1 317.433 0.309 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080161091 756117786 /nfs/dbraw/zinc/11/77/86/756117786.db2.gz MCYQJGVAHRJBMZ-HCBPCCMXSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001054107614 756368168 /nfs/dbraw/zinc/36/81/68/756368168.db2.gz FAKAUTVQTDHPLJ-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001054107614 756368173 /nfs/dbraw/zinc/36/81/73/756368173.db2.gz FAKAUTVQTDHPLJ-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054107614 756368180 /nfs/dbraw/zinc/36/81/80/756368180.db2.gz FAKAUTVQTDHPLJ-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054107614 756368186 /nfs/dbraw/zinc/36/81/86/756368186.db2.gz FAKAUTVQTDHPLJ-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOC)CC2 ZINC001050551220 757830520 /nfs/dbraw/zinc/83/05/20/757830520.db2.gz SIHWVBFLSOHMJK-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOC)CC2 ZINC001050551220 757830532 /nfs/dbraw/zinc/83/05/32/757830532.db2.gz SIHWVBFLSOHMJK-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050565349 757848850 /nfs/dbraw/zinc/84/88/50/757848850.db2.gz ZJEVNQVWODEHFK-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050565349 757848856 /nfs/dbraw/zinc/84/88/56/757848856.db2.gz ZJEVNQVWODEHFK-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834315 758071025 /nfs/dbraw/zinc/07/10/25/758071025.db2.gz VGCTYEQUNXQNMU-BRWVUGGUSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108927 759185766 /nfs/dbraw/zinc/18/57/66/759185766.db2.gz SOAVQEACFZEWNC-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108927 759185769 /nfs/dbraw/zinc/18/57/69/759185769.db2.gz SOAVQEACFZEWNC-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108927 759185772 /nfs/dbraw/zinc/18/57/72/759185772.db2.gz SOAVQEACFZEWNC-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108927 759185775 /nfs/dbraw/zinc/18/57/75/759185775.db2.gz SOAVQEACFZEWNC-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001098406682 759708492 /nfs/dbraw/zinc/70/84/92/759708492.db2.gz UBSVBTWLIOJZGR-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098406682 759708497 /nfs/dbraw/zinc/70/84/97/759708497.db2.gz UBSVBTWLIOJZGR-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098406682 759708503 /nfs/dbraw/zinc/70/85/03/759708503.db2.gz UBSVBTWLIOJZGR-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086373069 760110256 /nfs/dbraw/zinc/11/02/56/760110256.db2.gz KCDLGSACGPBMPV-FPCVCCKLSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124597 760441318 /nfs/dbraw/zinc/44/13/18/760441318.db2.gz KQXOWQOQQUHWRS-HOTGVXAUSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902787 760950974 /nfs/dbraw/zinc/95/09/74/760950974.db2.gz OOOHPQDVQYAYDV-ILXRZTDVSA-N 2 1 318.425 0.290 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902787 760950978 /nfs/dbraw/zinc/95/09/78/760950978.db2.gz OOOHPQDVQYAYDV-ILXRZTDVSA-N 2 1 318.425 0.290 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902787 760950982 /nfs/dbraw/zinc/95/09/82/760950982.db2.gz OOOHPQDVQYAYDV-ILXRZTDVSA-N 2 1 318.425 0.290 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902787 760950984 /nfs/dbraw/zinc/95/09/84/760950984.db2.gz OOOHPQDVQYAYDV-ILXRZTDVSA-N 2 1 318.425 0.290 20 30 DCEDMP COCC#CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148748832 768035208 /nfs/dbraw/zinc/03/52/08/768035208.db2.gz YSHDCXUOJOCQNR-UHFFFAOYSA-N 2 1 316.405 0.376 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148748832 768035210 /nfs/dbraw/zinc/03/52/10/768035210.db2.gz YSHDCXUOJOCQNR-UHFFFAOYSA-N 2 1 316.405 0.376 20 30 DCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071104340 761621253 /nfs/dbraw/zinc/62/12/53/761621253.db2.gz SLHGRVUBNRKSCL-ZACQAIPSSA-N 2 1 319.449 0.557 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547924 762896498 /nfs/dbraw/zinc/89/64/98/762896498.db2.gz NLIWHHBUGFYVOK-YVSFHVDLSA-N 2 1 321.465 0.919 20 30 DCEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)O1 ZINC001130180362 763157021 /nfs/dbraw/zinc/15/70/21/763157021.db2.gz OOJXXAPLPQAYMI-BXUZGUMPSA-N 2 1 322.434 0.545 20 30 DCEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)O1 ZINC001130180362 763157025 /nfs/dbraw/zinc/15/70/25/763157025.db2.gz OOJXXAPLPQAYMI-BXUZGUMPSA-N 2 1 322.434 0.545 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971655 763177389 /nfs/dbraw/zinc/17/73/89/763177389.db2.gz KUMXYGXKDDXLSI-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974813 763180511 /nfs/dbraw/zinc/18/05/11/763180511.db2.gz VZTJOVXKQLMLRI-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115987 763327659 /nfs/dbraw/zinc/32/76/59/763327659.db2.gz JFSNDSDFXKZLRC-DLBZAZTESA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115672 763327984 /nfs/dbraw/zinc/32/79/84/763327984.db2.gz BHURPBIZSDIERS-IAGOWNOFSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001100606452 763678298 /nfs/dbraw/zinc/67/82/98/763678298.db2.gz GLAHEYFTWXWCMH-SOEBMCCKSA-N 2 1 321.465 0.851 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100681031 763720724 /nfs/dbraw/zinc/72/07/24/763720724.db2.gz SCOXSRDIJJQRGC-UHFFFAOYSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CCC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001100756928 763765503 /nfs/dbraw/zinc/76/55/03/763765503.db2.gz VILXCFIOHYKHLH-UHFFFAOYSA-N 2 1 321.465 0.997 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098478864 764376740 /nfs/dbraw/zinc/37/67/40/764376740.db2.gz HVYBERRFPXAGHS-NVXWUHKLSA-N 2 1 321.465 0.493 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098478864 764376744 /nfs/dbraw/zinc/37/67/44/764376744.db2.gz HVYBERRFPXAGHS-NVXWUHKLSA-N 2 1 321.465 0.493 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001098478864 764376750 /nfs/dbraw/zinc/37/67/50/764376750.db2.gz HVYBERRFPXAGHS-NVXWUHKLSA-N 2 1 321.465 0.493 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133004840 764778243 /nfs/dbraw/zinc/77/82/43/764778243.db2.gz LXUWPODJDJYMHS-AWEZNQCLSA-N 2 1 304.394 0.110 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396852 765047536 /nfs/dbraw/zinc/04/75/36/765047536.db2.gz MVDYRCSPABMDHA-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)C1=O ZINC001133906014 765218891 /nfs/dbraw/zinc/21/88/91/765218891.db2.gz NBLGAONAPLUZAH-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902598 765420845 /nfs/dbraw/zinc/42/08/45/765420845.db2.gz KAHKSRUKOTWDKO-RDJZCZTQSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902598 765420850 /nfs/dbraw/zinc/42/08/50/765420850.db2.gz KAHKSRUKOTWDKO-RDJZCZTQSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111986727 765446627 /nfs/dbraw/zinc/44/66/27/765446627.db2.gz WPUNJONTJAAGSC-RYRKJORJSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111986727 765446635 /nfs/dbraw/zinc/44/66/35/765446635.db2.gz WPUNJONTJAAGSC-RYRKJORJSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038429 765559837 /nfs/dbraw/zinc/55/98/37/765559837.db2.gz LNVXWEZMVVUWOV-QLPKVWCKSA-N 2 1 307.438 0.720 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115244795 765660034 /nfs/dbraw/zinc/66/00/34/765660034.db2.gz FVOKORZYQWHYRQ-CAOSSQGBSA-N 2 1 305.422 0.024 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135030077 765770387 /nfs/dbraw/zinc/77/03/87/765770387.db2.gz XIUGDLLFTGLVJK-QWHCGFSZSA-N 2 1 321.425 0.367 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001160003428 766347740 /nfs/dbraw/zinc/34/77/40/766347740.db2.gz ODQSDDCZTUFSEV-CYBMUJFWSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090650342 766438035 /nfs/dbraw/zinc/43/80/35/766438035.db2.gz JUULTPYGARYTOM-DLBZAZTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090650342 766438039 /nfs/dbraw/zinc/43/80/39/766438039.db2.gz JUULTPYGARYTOM-DLBZAZTESA-N 2 1 315.417 0.546 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691975 766481949 /nfs/dbraw/zinc/48/19/49/766481949.db2.gz JEEJENAEHZHIEZ-IAGOWNOFSA-N 2 1 321.465 0.682 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090734306 766530264 /nfs/dbraw/zinc/53/02/64/766530264.db2.gz KKTBQZQKZXQZMH-ZBFHGGJFSA-N 2 1 318.421 0.889 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090734306 766530269 /nfs/dbraw/zinc/53/02/69/766530269.db2.gz KKTBQZQKZXQZMH-ZBFHGGJFSA-N 2 1 318.421 0.889 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001136986805 766636399 /nfs/dbraw/zinc/63/63/99/766636399.db2.gz XYZHIYUQBUJESY-GOSISDBHSA-N 2 1 317.433 0.857 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001147359928 767723968 /nfs/dbraw/zinc/72/39/68/767723968.db2.gz XIPUMQKVEHNMBI-OAHLLOKOSA-N 2 1 322.453 0.096 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761162 769180074 /nfs/dbraw/zinc/18/00/74/769180074.db2.gz KFQVXICBNSJTLU-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761162 769180080 /nfs/dbraw/zinc/18/00/80/769180080.db2.gz KFQVXICBNSJTLU-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001151334965 769314394 /nfs/dbraw/zinc/31/43/94/769314394.db2.gz SQSWESUDBXTCKT-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938551 769426540 /nfs/dbraw/zinc/42/65/40/769426540.db2.gz XNROIFHQONNZDD-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045270 770600400 /nfs/dbraw/zinc/60/04/00/770600400.db2.gz HRYHZKUQOPYMNZ-HNNXBMFYSA-N 2 1 322.453 0.096 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001156144481 770730077 /nfs/dbraw/zinc/73/00/77/770730077.db2.gz DDSPTDTXQLPZQK-QGZVFWFLSA-N 2 1 315.417 0.465 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001156144481 770730080 /nfs/dbraw/zinc/73/00/80/770730080.db2.gz DDSPTDTXQLPZQK-QGZVFWFLSA-N 2 1 315.417 0.465 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001183249646 771628397 /nfs/dbraw/zinc/62/83/97/771628397.db2.gz QHAWFWIKCFDRMM-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249491 771628537 /nfs/dbraw/zinc/62/85/37/771628537.db2.gz KKINRIRQPCQGMB-HZPDHXFCSA-N 2 1 319.453 0.970 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183390860 771643703 /nfs/dbraw/zinc/64/37/03/771643703.db2.gz LBXJTIROFOBDMI-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124436 771728907 /nfs/dbraw/zinc/72/89/07/771728907.db2.gz NKJQFZAJVIHDIT-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124436 771728910 /nfs/dbraw/zinc/72/89/10/771728910.db2.gz NKJQFZAJVIHDIT-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124436 771728913 /nfs/dbraw/zinc/72/89/13/771728913.db2.gz NKJQFZAJVIHDIT-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124436 771728917 /nfs/dbraw/zinc/72/89/17/771728917.db2.gz NKJQFZAJVIHDIT-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC12CCOCC2 ZINC001186311011 772030952 /nfs/dbraw/zinc/03/09/52/772030952.db2.gz PONLROIACXBXTP-HZPDHXFCSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCO)CC2)CC1 ZINC001161946955 772304827 /nfs/dbraw/zinc/30/48/27/772304827.db2.gz OAWYOMAXTJEWGL-UHFFFAOYSA-N 2 1 319.449 0.462 20 30 DCEDMP CN(C)/C=[NH+]/c1ccc(N(CC[NH3+])S(C)(=O)=O)cc1C#N ZINC001162130650 772330599 /nfs/dbraw/zinc/33/05/99/772330599.db2.gz DXYWHPURCUMSCE-MHWRWJLKSA-N 2 1 309.395 0.504 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)(COC)CC1 ZINC001162327850 772361932 /nfs/dbraw/zinc/36/19/32/772361932.db2.gz YLLXIXSHMFOPIU-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165764104 772760232 /nfs/dbraw/zinc/76/02/32/772760232.db2.gz MBLVKJNODXIOCY-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166627384 772830817 /nfs/dbraw/zinc/83/08/17/772830817.db2.gz UOBSRQRHXGFVBS-ZIAGYGMSSA-N 2 1 310.442 0.257 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699200 772843589 /nfs/dbraw/zinc/84/35/89/772843589.db2.gz IYFJYCLSKFMEQW-HNNXBMFYSA-N 2 1 318.421 0.500 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353089 772909166 /nfs/dbraw/zinc/90/91/66/772909166.db2.gz ADGYYJAUCOVMNQ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192353089 772909168 /nfs/dbraw/zinc/90/91/68/772909168.db2.gz ADGYYJAUCOVMNQ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192353089 772909172 /nfs/dbraw/zinc/90/91/72/772909172.db2.gz ADGYYJAUCOVMNQ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192425359 772916004 /nfs/dbraw/zinc/91/60/04/772916004.db2.gz GCACMCZMIVBOHQ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206927810 773136936 /nfs/dbraw/zinc/13/69/36/773136936.db2.gz RIUQNALWVIBLHK-HNNXBMFYSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720593 773248464 /nfs/dbraw/zinc/24/84/64/773248464.db2.gz KXQOIAZPKILNRP-NWANDNLSSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720593 773248465 /nfs/dbraw/zinc/24/84/65/773248465.db2.gz KXQOIAZPKILNRP-NWANDNLSSA-N 2 1 306.410 0.708 20 30 DCEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001207757841 773294225 /nfs/dbraw/zinc/29/42/25/773294225.db2.gz NZKQXZVZAGLCHG-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001207757841 773294230 /nfs/dbraw/zinc/29/42/30/773294230.db2.gz NZKQXZVZAGLCHG-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001207757841 773294234 /nfs/dbraw/zinc/29/42/34/773294234.db2.gz NZKQXZVZAGLCHG-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001207757841 773294239 /nfs/dbraw/zinc/29/42/39/773294239.db2.gz NZKQXZVZAGLCHG-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210773449 773736491 /nfs/dbraw/zinc/73/64/91/773736491.db2.gz JOHSTFCICADMBI-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(c2ccccc2)N(C)C)C1 ZINC001197689234 773783955 /nfs/dbraw/zinc/78/39/55/773783955.db2.gz HKVAGXUXASSPQV-JFIYKMOQSA-N 2 1 315.417 0.258 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213347865 773836864 /nfs/dbraw/zinc/83/68/64/773836864.db2.gz BMYXJMUBYUHOCE-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCOC)C1 ZINC001214880752 774021488 /nfs/dbraw/zinc/02/14/88/774021488.db2.gz SHKRDPKJQDYJKH-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCOC)C1 ZINC001214880752 774021493 /nfs/dbraw/zinc/02/14/93/774021493.db2.gz SHKRDPKJQDYJKH-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383342 774115304 /nfs/dbraw/zinc/11/53/04/774115304.db2.gz KPNDRILIFRJPSB-OWCLPIDISA-N 2 1 309.454 0.967 20 30 DCEDMP C=C1CC[NH2+]C[C@H]1Oc1cc(C[C@H]([NH3+])C(=O)OC)ccc1O ZINC001218209314 774216872 /nfs/dbraw/zinc/21/68/72/774216872.db2.gz WHZPKTZDOJWAEX-SWLSCSKDSA-N 2 1 306.362 0.732 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218873823 774319390 /nfs/dbraw/zinc/31/93/90/774319390.db2.gz MYRKLDXJZWKGPR-KRWDZBQOSA-N 2 1 316.405 0.090 20 30 DCEDMP C[NH+]1CCC(C#N)(NC(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200445674 774344085 /nfs/dbraw/zinc/34/40/85/774344085.db2.gz UIFBZDSOLGIVKR-UHFFFAOYSA-N 2 1 309.483 0.924 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001219032013 774351731 /nfs/dbraw/zinc/35/17/31/774351731.db2.gz MRJZWJPIWSRLDH-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032013 774351740 /nfs/dbraw/zinc/35/17/40/774351740.db2.gz MRJZWJPIWSRLDH-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032013 774351748 /nfs/dbraw/zinc/35/17/48/774351748.db2.gz MRJZWJPIWSRLDH-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC#CC)C1 ZINC001200721693 774398409 /nfs/dbraw/zinc/39/84/09/774398409.db2.gz NVBQMUAHELCDMK-SJORKVTESA-N 2 1 317.433 0.314 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC#CC)C1 ZINC001200721693 774398415 /nfs/dbraw/zinc/39/84/15/774398415.db2.gz NVBQMUAHELCDMK-SJORKVTESA-N 2 1 317.433 0.314 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCF)C1 ZINC001200722565 774398791 /nfs/dbraw/zinc/39/87/91/774398791.db2.gz ZTUGAMUHVWYQBX-GJZGRUSLSA-N 2 1 311.401 0.261 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCF)C1 ZINC001200722565 774398799 /nfs/dbraw/zinc/39/87/99/774398799.db2.gz ZTUGAMUHVWYQBX-GJZGRUSLSA-N 2 1 311.401 0.261 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC001200805955 774411758 /nfs/dbraw/zinc/41/17/58/774411758.db2.gz NTCWKSKEHCAIGK-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC001200805957 774411941 /nfs/dbraw/zinc/41/19/41/774411941.db2.gz NTCWKSKEHCAIGK-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976195 774433164 /nfs/dbraw/zinc/43/31/64/774433164.db2.gz OUGGQJGYIAUMRB-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCOC)CC1 ZINC001201093597 774445478 /nfs/dbraw/zinc/44/54/78/774445478.db2.gz FJUIGMNWKRPYGU-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCOC)CC1 ZINC001201093597 774445481 /nfs/dbraw/zinc/44/54/81/774445481.db2.gz FJUIGMNWKRPYGU-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CCCO1 ZINC001201403380 774501627 /nfs/dbraw/zinc/50/16/27/774501627.db2.gz KFKMQNQEVFCNMQ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919783 774645950 /nfs/dbraw/zinc/64/59/50/774645950.db2.gz NSAQILSLPCTOJJ-CVEARBPZSA-N 2 1 318.421 0.645 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073779 774688582 /nfs/dbraw/zinc/68/85/82/774688582.db2.gz MAMMZBVJRPDGJV-CVEARBPZSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073779 774688587 /nfs/dbraw/zinc/68/85/87/774688587.db2.gz MAMMZBVJRPDGJV-CVEARBPZSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073779 774688592 /nfs/dbraw/zinc/68/85/92/774688592.db2.gz MAMMZBVJRPDGJV-CVEARBPZSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073779 774688596 /nfs/dbraw/zinc/68/85/96/774688596.db2.gz MAMMZBVJRPDGJV-CVEARBPZSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078562 774689222 /nfs/dbraw/zinc/68/92/22/774689222.db2.gz UZBWGMRJTFVRDW-CABCVRRESA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078562 774689229 /nfs/dbraw/zinc/68/92/29/774689229.db2.gz UZBWGMRJTFVRDW-CABCVRRESA-N 2 1 307.438 0.436 20 30 DCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202504559 774770704 /nfs/dbraw/zinc/77/07/04/774770704.db2.gz UPASTQZZHIFXMT-GOEBONIOSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599733 774861071 /nfs/dbraw/zinc/86/10/71/774861071.db2.gz IWJXXCFWFZVLDR-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599733 774861080 /nfs/dbraw/zinc/86/10/80/774861080.db2.gz IWJXXCFWFZVLDR-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227817016 776011389 /nfs/dbraw/zinc/01/13/89/776011389.db2.gz IPGKSGBHOXRSSK-INIZCTEOSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904742 776137056 /nfs/dbraw/zinc/13/70/56/776137056.db2.gz VSEBEUUOSJHQQL-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001230105180 776252177 /nfs/dbraw/zinc/25/21/77/776252177.db2.gz BQXGHQLZECTHAU-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001230105180 776252185 /nfs/dbraw/zinc/25/21/85/776252185.db2.gz BQXGHQLZECTHAU-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270991 777822141 /nfs/dbraw/zinc/82/21/41/777822141.db2.gz VNOJXRLPBIDHHB-HZPDHXFCSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270991 777822151 /nfs/dbraw/zinc/82/21/51/777822151.db2.gz VNOJXRLPBIDHHB-HZPDHXFCSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317819967 945195322 /nfs/dbraw/zinc/19/53/22/945195322.db2.gz LSIZVYNJRVMEFG-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001317819967 945195328 /nfs/dbraw/zinc/19/53/28/945195328.db2.gz LSIZVYNJRVMEFG-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317861133 945209161 /nfs/dbraw/zinc/20/91/61/945209161.db2.gz MRCYTUACPHFVEC-CABCVRRESA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317861133 945209166 /nfs/dbraw/zinc/20/91/66/945209166.db2.gz MRCYTUACPHFVEC-CABCVRRESA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317861133 945209171 /nfs/dbraw/zinc/20/91/71/945209171.db2.gz MRCYTUACPHFVEC-CABCVRRESA-N 2 1 322.453 0.021 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266465371 939126351 /nfs/dbraw/zinc/12/63/51/939126351.db2.gz UWXPIDQISDQZKB-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266465371 939126353 /nfs/dbraw/zinc/12/63/53/939126353.db2.gz UWXPIDQISDQZKB-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266620424 939181659 /nfs/dbraw/zinc/18/16/59/939181659.db2.gz WOFNJPQPDIXKRF-HDJSIYSDSA-N 2 1 324.469 0.503 20 30 DCEDMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC#CCOC)[NH+](C)C ZINC001266843686 939251302 /nfs/dbraw/zinc/25/13/02/939251302.db2.gz AAASLLWFSDMBNJ-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC#CCOC)[NH+](C)C ZINC001266843686 939251304 /nfs/dbraw/zinc/25/13/04/939251304.db2.gz AAASLLWFSDMBNJ-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001267334761 939427288 /nfs/dbraw/zinc/42/72/88/939427288.db2.gz FALKCNDUPOYDAG-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001267334761 939427289 /nfs/dbraw/zinc/42/72/89/939427289.db2.gz FALKCNDUPOYDAG-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001267506159 939479911 /nfs/dbraw/zinc/47/99/11/939479911.db2.gz XYSQSUDAOYGKAK-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001267506159 939479913 /nfs/dbraw/zinc/47/99/13/939479913.db2.gz XYSQSUDAOYGKAK-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001267506159 939479915 /nfs/dbraw/zinc/47/99/15/939479915.db2.gz XYSQSUDAOYGKAK-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267563299 939501513 /nfs/dbraw/zinc/50/15/13/939501513.db2.gz VZXIWHOWGCIBGW-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267563299 939501516 /nfs/dbraw/zinc/50/15/16/939501516.db2.gz VZXIWHOWGCIBGW-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001267711657 939634662 /nfs/dbraw/zinc/63/46/62/939634662.db2.gz CDRKKYYCRIDLPB-HOTGVXAUSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001267711657 939634663 /nfs/dbraw/zinc/63/46/63/939634663.db2.gz CDRKKYYCRIDLPB-HOTGVXAUSA-N 2 1 307.438 0.816 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001267725488 939642632 /nfs/dbraw/zinc/64/26/32/939642632.db2.gz PNEKVPNGYRTLJO-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001267725488 939642634 /nfs/dbraw/zinc/64/26/34/939642634.db2.gz PNEKVPNGYRTLJO-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC#CCOC ZINC001267805599 939686028 /nfs/dbraw/zinc/68/60/28/939686028.db2.gz QZBSOOVHMKPMHV-HZPDHXFCSA-N 2 1 309.454 0.993 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001481475203 939889003 /nfs/dbraw/zinc/88/90/03/939889003.db2.gz ZDVMPUPNSQVTTJ-UHFFFAOYSA-N 2 1 310.486 0.979 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC#CCOC)C1 ZINC001481504106 939905203 /nfs/dbraw/zinc/90/52/03/939905203.db2.gz KVWRVTHBHRFCIQ-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)CC#CCOC)C1 ZINC001481504106 939905205 /nfs/dbraw/zinc/90/52/05/939905205.db2.gz KVWRVTHBHRFCIQ-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC#CCOC)C1 ZINC001481504106 939905206 /nfs/dbraw/zinc/90/52/06/939905206.db2.gz KVWRVTHBHRFCIQ-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268094433 939944318 /nfs/dbraw/zinc/94/43/18/939944318.db2.gz OHFBSCRKFRLMSI-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001268121072 939951586 /nfs/dbraw/zinc/95/15/86/939951586.db2.gz YMTNIYVAYGHQLJ-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001268121072 939951590 /nfs/dbraw/zinc/95/15/90/939951590.db2.gz YMTNIYVAYGHQLJ-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCOCC1 ZINC001268239513 940002533 /nfs/dbraw/zinc/00/25/33/940002533.db2.gz SEAXQESBPVYAQD-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCOCC1 ZINC001268239513 940002540 /nfs/dbraw/zinc/00/25/40/940002540.db2.gz SEAXQESBPVYAQD-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCOCC1 ZINC001268239513 940002544 /nfs/dbraw/zinc/00/25/44/940002544.db2.gz SEAXQESBPVYAQD-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCOCC1 ZINC001268239513 940002548 /nfs/dbraw/zinc/00/25/48/940002548.db2.gz SEAXQESBPVYAQD-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCOCC1 ZINC001268239513 940002553 /nfs/dbraw/zinc/00/25/53/940002553.db2.gz SEAXQESBPVYAQD-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001481703304 940055704 /nfs/dbraw/zinc/05/57/04/940055704.db2.gz CRUWYVPXPUEVHS-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268364132 940082301 /nfs/dbraw/zinc/08/23/01/940082301.db2.gz BELNJBOGABJHQA-HUUCEWRRSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCOC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(=O)OCC=C ZINC001245999888 945309562 /nfs/dbraw/zinc/30/95/62/945309562.db2.gz KIJJDFIDIWYNGU-KBPBESRZSA-N 2 1 300.399 0.366 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccn(C)n1 ZINC001268799115 940364703 /nfs/dbraw/zinc/36/47/03/940364703.db2.gz TWFROPUHEIQIPI-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccn(C)n1 ZINC001268799115 940364705 /nfs/dbraw/zinc/36/47/05/940364705.db2.gz TWFROPUHEIQIPI-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268570 940667454 /nfs/dbraw/zinc/66/74/54/940667454.db2.gz NMVCYERRBSYFGU-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268570 940667456 /nfs/dbraw/zinc/66/74/56/940667456.db2.gz NMVCYERRBSYFGU-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269287938 940671944 /nfs/dbraw/zinc/67/19/44/940671944.db2.gz OPTWLKJJCPJWMY-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001269287938 940671946 /nfs/dbraw/zinc/67/19/46/940671946.db2.gz OPTWLKJJCPJWMY-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287938 940671949 /nfs/dbraw/zinc/67/19/49/940671949.db2.gz OPTWLKJJCPJWMY-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287938 940671952 /nfs/dbraw/zinc/67/19/52/940671952.db2.gz OPTWLKJJCPJWMY-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOC)CC1 ZINC001270358373 940887065 /nfs/dbraw/zinc/88/70/65/940887065.db2.gz HHFRQFSKEKDDHI-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCO)C2)CC1 ZINC001271017244 941241802 /nfs/dbraw/zinc/24/18/02/941241802.db2.gz NJPMSTDTQHEIHR-GOSISDBHSA-N 2 1 321.465 0.542 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271956068 941491017 /nfs/dbraw/zinc/49/10/17/941491017.db2.gz ATSUAJYEFAISHC-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001271956068 941491018 /nfs/dbraw/zinc/49/10/18/941491018.db2.gz ATSUAJYEFAISHC-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001271956068 941491020 /nfs/dbraw/zinc/49/10/20/941491020.db2.gz ATSUAJYEFAISHC-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271956041 941491053 /nfs/dbraw/zinc/49/10/53/941491053.db2.gz AJMAUVJRCXLYEY-WMZOPIPTSA-N 2 1 319.449 0.295 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483259766 942214567 /nfs/dbraw/zinc/21/45/67/942214567.db2.gz NPKNXPSTMISHDY-AJNGGQMLSA-N 2 1 324.469 0.502 20 30 DCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001484849850 943595850 /nfs/dbraw/zinc/59/58/50/943595850.db2.gz ZTGZTWSULDZAQR-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001485078050 943684405 /nfs/dbraw/zinc/68/44/05/943684405.db2.gz RZBYJLJKZMCZOZ-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001485078050 943684407 /nfs/dbraw/zinc/68/44/07/943684407.db2.gz RZBYJLJKZMCZOZ-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485304192 943829246 /nfs/dbraw/zinc/82/92/46/943829246.db2.gz UJUXEMLCOYVZPA-ZBFHGGJFSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485304191 943830268 /nfs/dbraw/zinc/83/02/68/943830268.db2.gz UJUXEMLCOYVZPA-HOCLYGCPSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001485421564 943935258 /nfs/dbraw/zinc/93/52/58/943935258.db2.gz AURIJJCNPIJDMQ-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001485421564 943935261 /nfs/dbraw/zinc/93/52/61/943935261.db2.gz AURIJJCNPIJDMQ-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001281136153 944208485 /nfs/dbraw/zinc/20/84/85/944208485.db2.gz AEURUDLZDCCVDD-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001276777569 944295487 /nfs/dbraw/zinc/29/54/87/944295487.db2.gz DREYXWSFFLPYDE-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001486027910 944508662 /nfs/dbraw/zinc/50/86/62/944508662.db2.gz QDSRZZYQSALSTC-GDBMZVCRSA-N 2 1 307.438 0.483 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317082011 944782917 /nfs/dbraw/zinc/78/29/17/944782917.db2.gz VOWIPUOTPDGPKZ-MGPQQGTHSA-N 2 1 308.426 0.010 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317079959 944782986 /nfs/dbraw/zinc/78/29/86/944782986.db2.gz ALEVTXNCLHIXCT-AJNGGQMLSA-N 2 1 322.453 0.398 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001277435743 944817370 /nfs/dbraw/zinc/81/73/70/944817370.db2.gz UPNYSSGVZCLFLV-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001277435743 944817383 /nfs/dbraw/zinc/81/73/83/944817383.db2.gz UPNYSSGVZCLFLV-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001277435743 944817392 /nfs/dbraw/zinc/81/73/92/944817392.db2.gz UPNYSSGVZCLFLV-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC001317255540 944881695 /nfs/dbraw/zinc/88/16/95/944881695.db2.gz KEUXODJBXMBMCV-WBMJQRKESA-N 2 1 318.421 0.983 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC001317255540 944881697 /nfs/dbraw/zinc/88/16/97/944881697.db2.gz KEUXODJBXMBMCV-WBMJQRKESA-N 2 1 318.421 0.983 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317270819 944891471 /nfs/dbraw/zinc/89/14/71/944891471.db2.gz WOIWPHNNRRIDPU-HIFRSBDPSA-N 2 1 318.421 0.498 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001486509541 944945892 /nfs/dbraw/zinc/94/58/92/944945892.db2.gz AATKFIMVHMMKQE-UHFFFAOYSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001486509541 944945897 /nfs/dbraw/zinc/94/58/97/944945897.db2.gz AATKFIMVHMMKQE-UHFFFAOYSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001486509541 944945903 /nfs/dbraw/zinc/94/59/03/944945903.db2.gz AATKFIMVHMMKQE-UHFFFAOYSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001277734788 944961086 /nfs/dbraw/zinc/96/10/86/944961086.db2.gz IACCCWOIRJYRQO-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001277734788 944961091 /nfs/dbraw/zinc/96/10/91/944961091.db2.gz IACCCWOIRJYRQO-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCS(=O)(=O)CC1 ZINC001246307690 945380497 /nfs/dbraw/zinc/38/04/97/945380497.db2.gz NNUVNASVZUHTHQ-ZDUSSCGKSA-N 2 1 318.439 0.380 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC001320235964 945781385 /nfs/dbraw/zinc/78/13/85/945781385.db2.gz SWFIKVQDZKZFHU-HOTGVXAUSA-N 2 1 321.465 0.587 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC001320235964 945781391 /nfs/dbraw/zinc/78/13/91/945781391.db2.gz SWFIKVQDZKZFHU-HOTGVXAUSA-N 2 1 321.465 0.587 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320275107 945796912 /nfs/dbraw/zinc/79/69/12/945796912.db2.gz SZZUMKYPHYMEBP-BBRMVZONSA-N 2 1 315.433 0.842 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C ZINC001278768284 946332041 /nfs/dbraw/zinc/33/20/41/946332041.db2.gz SUMLZBXIDATOOE-CVEARBPZSA-N 2 1 323.481 0.929 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C ZINC001278768284 946332051 /nfs/dbraw/zinc/33/20/51/946332051.db2.gz SUMLZBXIDATOOE-CVEARBPZSA-N 2 1 323.481 0.929 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001278860220 946492061 /nfs/dbraw/zinc/49/20/61/946492061.db2.gz RECYCJMNUKYXPJ-SJORKVTESA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001278860220 946492067 /nfs/dbraw/zinc/49/20/67/946492067.db2.gz RECYCJMNUKYXPJ-SJORKVTESA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001278860220 946492073 /nfs/dbraw/zinc/49/20/73/946492073.db2.gz RECYCJMNUKYXPJ-SJORKVTESA-N 2 1 321.465 0.778 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001278932510 946625636 /nfs/dbraw/zinc/62/56/36/946625636.db2.gz ULDGKWSPGJITRE-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001278932510 946625640 /nfs/dbraw/zinc/62/56/40/946625640.db2.gz ULDGKWSPGJITRE-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)CCOC ZINC001279048863 946769671 /nfs/dbraw/zinc/76/96/71/946769671.db2.gz DIZDACAASZTYMJ-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)CCOC ZINC001279048863 946769682 /nfs/dbraw/zinc/76/96/82/946769682.db2.gz DIZDACAASZTYMJ-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)CCOC ZINC001279048863 946769688 /nfs/dbraw/zinc/76/96/88/946769688.db2.gz DIZDACAASZTYMJ-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)CCOC ZINC001279048863 946769708 /nfs/dbraw/zinc/76/97/08/946769708.db2.gz DIZDACAASZTYMJ-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC001273365458 946865608 /nfs/dbraw/zinc/86/56/08/946865608.db2.gz HSIQOMHTEDVDTQ-QGZVFWFLSA-N 2 1 315.417 0.569 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CCO1 ZINC001273365458 946865614 /nfs/dbraw/zinc/86/56/14/946865614.db2.gz HSIQOMHTEDVDTQ-QGZVFWFLSA-N 2 1 315.417 0.569 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001325099090 947652050 /nfs/dbraw/zinc/65/20/50/947652050.db2.gz VHFTWQSKESDCMF-WBVHZDCISA-N 2 1 307.438 0.457 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186816538 947943469 /nfs/dbraw/zinc/94/34/69/947943469.db2.gz ABUZOPIOSIWYPH-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001264669289 949059308 /nfs/dbraw/zinc/05/93/08/949059308.db2.gz OKBKGSKZDDBDGD-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001264669289 949059327 /nfs/dbraw/zinc/05/93/27/949059327.db2.gz OKBKGSKZDDBDGD-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001264669289 949059352 /nfs/dbraw/zinc/05/93/52/949059352.db2.gz OKBKGSKZDDBDGD-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001279436600 950575941 /nfs/dbraw/zinc/57/59/41/950575941.db2.gz KTIIJFHHMUENAJ-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001490456710 950757911 /nfs/dbraw/zinc/75/79/11/950757911.db2.gz RYMMGTSNMANYMD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001490456710 950757927 /nfs/dbraw/zinc/75/79/27/950757927.db2.gz RYMMGTSNMANYMD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001490456710 950757943 /nfs/dbraw/zinc/75/79/43/950757943.db2.gz RYMMGTSNMANYMD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001490456710 950757950 /nfs/dbraw/zinc/75/79/50/950757950.db2.gz RYMMGTSNMANYMD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001280361602 950822103 /nfs/dbraw/zinc/82/21/03/950822103.db2.gz VZNPEUPDZNOQFA-BZUAXINKSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001280361602 950822121 /nfs/dbraw/zinc/82/21/21/950822121.db2.gz VZNPEUPDZNOQFA-BZUAXINKSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC(=C)C)C1 ZINC001280598158 950976246 /nfs/dbraw/zinc/97/62/46/950976246.db2.gz XDFGYTZYPAMVCA-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC(=C)C)C1 ZINC001280598158 950976260 /nfs/dbraw/zinc/97/62/60/950976260.db2.gz XDFGYTZYPAMVCA-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274134193 951439383 /nfs/dbraw/zinc/43/93/83/951439383.db2.gz QELYZWXILRZILG-GJBLVYBDSA-N 2 1 308.426 0.035 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC#CC)CC1 ZINC001274528344 951680643 /nfs/dbraw/zinc/68/06/43/951680643.db2.gz JVZQUFQVHDXOMD-INIZCTEOSA-N 2 1 317.433 0.050 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC#CC)CC1 ZINC001274528344 951680646 /nfs/dbraw/zinc/68/06/46/951680646.db2.gz JVZQUFQVHDXOMD-INIZCTEOSA-N 2 1 317.433 0.050 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001274924543 951888615 /nfs/dbraw/zinc/88/86/15/951888615.db2.gz SMQZUMWZMGXYFG-GJZGRUSLSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001275929006 952534018 /nfs/dbraw/zinc/53/40/18/952534018.db2.gz WHGMWHDSZRVQIR-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275929006 952534021 /nfs/dbraw/zinc/53/40/21/952534021.db2.gz WHGMWHDSZRVQIR-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001275929006 952534032 /nfs/dbraw/zinc/53/40/32/952534032.db2.gz WHGMWHDSZRVQIR-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001275929006 952534039 /nfs/dbraw/zinc/53/40/39/952534039.db2.gz WHGMWHDSZRVQIR-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001341556131 953237437 /nfs/dbraw/zinc/23/74/37/953237437.db2.gz URIJWQFUOBXNQR-UHFFFAOYSA-N 2 1 300.406 0.908 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282888382 953721369 /nfs/dbraw/zinc/72/13/69/953721369.db2.gz KMFGEEVYEIIEID-NXOAAHMSSA-N 2 1 321.465 0.516 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001316628825 954488650 /nfs/dbraw/zinc/48/86/50/954488650.db2.gz CISSJILSDMHRNV-KBUPBQIOSA-N 2 1 322.453 0.113 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001284313081 955004120 /nfs/dbraw/zinc/00/41/20/955004120.db2.gz NMIKDPINFVCPPP-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001284891480 955294623 /nfs/dbraw/zinc/29/46/23/955294623.db2.gz NHUNXGRAMYEVGA-OAHLLOKOSA-N 2 1 320.437 0.131 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001284891480 955294633 /nfs/dbraw/zinc/29/46/33/955294633.db2.gz NHUNXGRAMYEVGA-OAHLLOKOSA-N 2 1 320.437 0.131 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001284891480 955294641 /nfs/dbraw/zinc/29/46/41/955294641.db2.gz NHUNXGRAMYEVGA-OAHLLOKOSA-N 2 1 320.437 0.131 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001284891480 955294647 /nfs/dbraw/zinc/29/46/47/955294647.db2.gz NHUNXGRAMYEVGA-OAHLLOKOSA-N 2 1 320.437 0.131 20 30 DCEDMP C#CCNCC(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001357415110 957278695 /nfs/dbraw/zinc/27/86/95/957278695.db2.gz WANHSSWVSDLNMI-RDJZCZTQSA-N 2 1 315.417 0.615 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317464121 960129832 /nfs/dbraw/zinc/12/98/32/960129832.db2.gz RQNIFZNTXLKYDM-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317464121 960129845 /nfs/dbraw/zinc/12/98/45/960129845.db2.gz RQNIFZNTXLKYDM-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316742996 960229349 /nfs/dbraw/zinc/22/93/49/960229349.db2.gz APFDFUQANVQGKQ-JKSUJKDBSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316742996 960229362 /nfs/dbraw/zinc/22/93/62/960229362.db2.gz APFDFUQANVQGKQ-JKSUJKDBSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316742996 960229368 /nfs/dbraw/zinc/22/93/68/960229368.db2.gz APFDFUQANVQGKQ-JKSUJKDBSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001316747477 960363714 /nfs/dbraw/zinc/36/37/14/960363714.db2.gz JACJYKYMIJBJKD-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001316747477 960363720 /nfs/dbraw/zinc/36/37/20/960363720.db2.gz JACJYKYMIJBJKD-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001316747477 960363725 /nfs/dbraw/zinc/36/37/25/960363725.db2.gz JACJYKYMIJBJKD-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001503015597 1016146808 /nfs/dbraw/zinc/14/68/08/1016146808.db2.gz VKKMDSUJFQQBIV-GDBMZVCRSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001503015597 1016146813 /nfs/dbraw/zinc/14/68/13/1016146813.db2.gz VKKMDSUJFQQBIV-GDBMZVCRSA-N 2 1 318.421 0.810 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001507387634 1016297532 /nfs/dbraw/zinc/29/75/32/1016297532.db2.gz QYYODURTRUYQAE-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001507387634 1016297538 /nfs/dbraw/zinc/29/75/38/1016297538.db2.gz QYYODURTRUYQAE-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001507387634 1016297548 /nfs/dbraw/zinc/29/75/48/1016297548.db2.gz QYYODURTRUYQAE-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001507387634 1016297554 /nfs/dbraw/zinc/29/75/54/1016297554.db2.gz QYYODURTRUYQAE-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001507478912 1016384156 /nfs/dbraw/zinc/38/41/56/1016384156.db2.gz OFEDCBHMDFIITM-IUODEOHRSA-N 2 1 321.425 0.385 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001507478912 1016384166 /nfs/dbraw/zinc/38/41/66/1016384166.db2.gz OFEDCBHMDFIITM-IUODEOHRSA-N 2 1 321.425 0.385 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001507503448 1016428301 /nfs/dbraw/zinc/42/83/01/1016428301.db2.gz CBQNNZCPFFXBGV-CJNGLKHVSA-N 2 1 313.417 0.241 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001437295950 1006814195 /nfs/dbraw/zinc/81/41/95/1006814195.db2.gz MSSOHQKLSFDFGY-STQMWFEESA-N 2 1 301.818 0.508 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001437295950 1006814211 /nfs/dbraw/zinc/81/42/11/1006814211.db2.gz MSSOHQKLSFDFGY-STQMWFEESA-N 2 1 301.818 0.508 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001445983301 1012480841 /nfs/dbraw/zinc/48/08/41/1012480841.db2.gz CJUIHLIMOZEZDL-UONOGXRCSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001445983301 1012480854 /nfs/dbraw/zinc/48/08/54/1012480854.db2.gz CJUIHLIMOZEZDL-UONOGXRCSA-N 2 1 315.845 0.944 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC001563751213 1012511202 /nfs/dbraw/zinc/51/12/02/1012511202.db2.gz JJHQQKNRQVEYSH-UHFFFAOYSA-N 2 1 302.422 0.983 20 30 DCEDMP COCC#CCN1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001506656277 1017440243 /nfs/dbraw/zinc/44/02/43/1017440243.db2.gz RLMSOZUANWPBDA-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001506656277 1017440259 /nfs/dbraw/zinc/44/02/59/1017440259.db2.gz RLMSOZUANWPBDA-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001479548006 1017579606 /nfs/dbraw/zinc/57/96/06/1017579606.db2.gz KTCZTNCIRXQHIF-GVDBMIGSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001479660587 1017639944 /nfs/dbraw/zinc/63/99/44/1017639944.db2.gz CFWPHDBREXYXBP-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001479660587 1017639954 /nfs/dbraw/zinc/63/99/54/1017639954.db2.gz CFWPHDBREXYXBP-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001479660587 1017639961 /nfs/dbraw/zinc/63/99/61/1017639961.db2.gz CFWPHDBREXYXBP-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494865257 1018113199 /nfs/dbraw/zinc/11/31/99/1018113199.db2.gz WFPWXZRGWSGASR-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494865257 1018113205 /nfs/dbraw/zinc/11/32/05/1018113205.db2.gz WFPWXZRGWSGASR-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494865257 1018113220 /nfs/dbraw/zinc/11/32/20/1018113220.db2.gz WFPWXZRGWSGASR-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494865257 1018113234 /nfs/dbraw/zinc/11/32/34/1018113234.db2.gz WFPWXZRGWSGASR-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480080890 1018190147 /nfs/dbraw/zinc/19/01/47/1018190147.db2.gz ADEXMYOKNJGXCF-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480080890 1018190152 /nfs/dbraw/zinc/19/01/52/1018190152.db2.gz ADEXMYOKNJGXCF-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480080890 1018190156 /nfs/dbraw/zinc/19/01/56/1018190156.db2.gz ADEXMYOKNJGXCF-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001500171513 1018267971 /nfs/dbraw/zinc/26/79/71/1018267971.db2.gz WLLIVLRLQWRCGU-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001480666541 1018756797 /nfs/dbraw/zinc/75/67/97/1018756797.db2.gz WREROTKBVRRJTO-AWEZNQCLSA-N 2 1 316.405 0.955 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001501140115 1018918563 /nfs/dbraw/zinc/91/85/63/1018918563.db2.gz QVOCORDOLPKCQA-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496431329 1019308116 /nfs/dbraw/zinc/30/81/16/1019308116.db2.gz WEARAKSESQKARX-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001499183594 1019837500 /nfs/dbraw/zinc/83/75/00/1019837500.db2.gz FVNFMZDVOKGYRJ-STQMWFEESA-N 2 1 308.426 0.010 20 30 DCEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001494178905 1020052449 /nfs/dbraw/zinc/05/24/49/1020052449.db2.gz AQLZDFSHTDHBKE-HZPDHXFCSA-N 2 1 309.454 0.921 20 30 DCEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCOCC2)cn1 ZINC000261997295 238169835 /nfs/dbraw/zinc/16/98/35/238169835.db2.gz OFQPFFPTVQTAII-UHFFFAOYSA-N 2 1 300.366 0.723 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccc(F)cc1 ZINC000264098495 238189804 /nfs/dbraw/zinc/18/98/04/238189804.db2.gz NDFZDWFAQXLRQY-UHFFFAOYSA-N 2 1 324.400 0.831 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H](C)C#N ZINC000352412728 285282397 /nfs/dbraw/zinc/28/23/97/285282397.db2.gz IHRFMFMKOKEWDS-KBPBESRZSA-N 2 1 316.471 0.576 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCN(CC)CC2)CC1 ZINC000068080569 396044501 /nfs/dbraw/zinc/04/45/01/396044501.db2.gz HGCDVPFBNOPLQV-UHFFFAOYSA-N 2 1 320.481 0.475 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000592493856 397192850 /nfs/dbraw/zinc/19/28/50/397192850.db2.gz CAQQBCBARFYRCL-CHWSQXEVSA-N 2 1 324.425 0.074 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000592493856 397192853 /nfs/dbraw/zinc/19/28/53/397192853.db2.gz CAQQBCBARFYRCL-CHWSQXEVSA-N 2 1 324.425 0.074 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000458317892 397429344 /nfs/dbraw/zinc/42/93/44/397429344.db2.gz CJJCBXXZYIEVHC-GASCZTMLSA-N 2 1 324.469 0.733 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000123760445 415845666 /nfs/dbraw/zinc/84/56/66/415845666.db2.gz FEHOMQYRIPQFIJ-IXDOHACOSA-N 2 1 314.433 0.951 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339438169 416157547 /nfs/dbraw/zinc/15/75/47/416157547.db2.gz ASIXAIRLDWTZGK-CJNGLKHVSA-N 2 1 308.426 0.804 20 30 DCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329379751 416166761 /nfs/dbraw/zinc/16/67/61/416166761.db2.gz PNEVERAPTOZKIP-OAHLLOKOSA-N 2 1 309.458 0.363 20 30 DCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330283771 416200225 /nfs/dbraw/zinc/20/02/25/416200225.db2.gz WNSDVTRUDAOKEN-MRXNPFEDSA-N 2 1 323.485 0.610 20 30 DCEDMP C#CCNC(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000491812421 416631744 /nfs/dbraw/zinc/63/17/44/416631744.db2.gz FGXVUNUBFHZOFL-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662737463 417879845 /nfs/dbraw/zinc/87/98/45/417879845.db2.gz ZOVXPSZDLHLHEU-CRAIPNDOSA-N 3 1 320.481 0.969 20 30 DCEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662737463 417879850 /nfs/dbraw/zinc/87/98/50/417879850.db2.gz ZOVXPSZDLHLHEU-CRAIPNDOSA-N 3 1 320.481 0.969 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001569897875 1161306237 /nfs/dbraw/zinc/30/62/37/1161306237.db2.gz IAPQXOGQCOSNFC-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001569897875 1161306244 /nfs/dbraw/zinc/30/62/44/1161306244.db2.gz IAPQXOGQCOSNFC-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001569897875 1161306252 /nfs/dbraw/zinc/30/62/52/1161306252.db2.gz IAPQXOGQCOSNFC-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C[C@H]1C[NH+]=C(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)N1 ZINC000262677227 533990661 /nfs/dbraw/zinc/99/06/61/533990661.db2.gz UJZLOJHZODQWQX-ZDUSSCGKSA-N 2 1 315.421 0.512 20 30 DCEDMP C[NH+]=C(NCc1cc(C)no1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179071212 526380822 /nfs/dbraw/zinc/38/08/22/526380822.db2.gz CDGLXYRMLZBBQO-AWEZNQCLSA-N 2 1 321.425 0.713 20 30 DCEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261984093 526392192 /nfs/dbraw/zinc/39/21/92/526392192.db2.gz POUDDGJICQIMML-WCQYABFASA-N 2 1 317.441 0.372 20 30 DCEDMP C[NH+]=C(NCc1c(C)noc1C)NC[C@H]1C[N@@H+](C)CCN1C ZINC000261786010 526414060 /nfs/dbraw/zinc/41/40/60/526414060.db2.gz FWDYZAMQOJVXFS-ZDUSSCGKSA-N 2 1 308.430 0.202 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000377370992 526926987 /nfs/dbraw/zinc/92/69/87/526926987.db2.gz BBAJHBZUWMDSLA-HZPDHXFCSA-N 2 1 305.422 0.311 20 30 DCEDMP CCN(CCC#N)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968884 528353787 /nfs/dbraw/zinc/35/37/87/528353787.db2.gz ZHFJKBJZSIJDOR-UHFFFAOYSA-N 2 1 309.458 0.318 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001675080551 1175325927 /nfs/dbraw/zinc/32/59/27/1175325927.db2.gz FXNZUZIBQDPUJS-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001675080551 1175325931 /nfs/dbraw/zinc/32/59/31/1175325931.db2.gz FXNZUZIBQDPUJS-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027547001 660411512 /nfs/dbraw/zinc/41/15/12/660411512.db2.gz OWYPLCOSGFXMBK-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027547001 660411513 /nfs/dbraw/zinc/41/15/13/660411513.db2.gz OWYPLCOSGFXMBK-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547001 660411514 /nfs/dbraw/zinc/41/15/14/660411514.db2.gz OWYPLCOSGFXMBK-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547001 660411515 /nfs/dbraw/zinc/41/15/15/660411515.db2.gz OWYPLCOSGFXMBK-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978350670 660523515 /nfs/dbraw/zinc/52/35/15/660523515.db2.gz HCDSMSSULXJXAU-OVYGPGRDSA-N 2 1 321.465 0.966 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978350670 660523516 /nfs/dbraw/zinc/52/35/16/660523516.db2.gz HCDSMSSULXJXAU-OVYGPGRDSA-N 2 1 321.465 0.966 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978350670 660523517 /nfs/dbraw/zinc/52/35/17/660523517.db2.gz HCDSMSSULXJXAU-OVYGPGRDSA-N 2 1 321.465 0.966 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978350670 660523518 /nfs/dbraw/zinc/52/35/18/660523518.db2.gz HCDSMSSULXJXAU-OVYGPGRDSA-N 2 1 321.465 0.966 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)C[C@@H](C)O)C2)CC1 ZINC001027693569 660626111 /nfs/dbraw/zinc/62/61/11/660626111.db2.gz GAGXEKWZSJXFSF-NVXWUHKLSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036921 661093682 /nfs/dbraw/zinc/09/36/82/661093682.db2.gz IZDUOYBOTXNJBN-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036921 661093684 /nfs/dbraw/zinc/09/36/84/661093684.db2.gz IZDUOYBOTXNJBN-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036921 661093686 /nfs/dbraw/zinc/09/36/86/661093686.db2.gz IZDUOYBOTXNJBN-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185319 661096372 /nfs/dbraw/zinc/09/63/72/661096372.db2.gz TZDBVTLSCLKRFH-STQMWFEESA-N 2 1 304.394 1.000 20 30 DCEDMP C#CC[N@H+]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000981185807 661096400 /nfs/dbraw/zinc/09/64/00/661096400.db2.gz IOFXWXVOWPNREV-UHFFFAOYSA-N 2 1 303.410 0.226 20 30 DCEDMP C#CC[N@@H+]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000981185807 661096401 /nfs/dbraw/zinc/09/64/01/661096401.db2.gz IOFXWXVOWPNREV-UHFFFAOYSA-N 2 1 303.410 0.226 20 30 DCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208756 661101681 /nfs/dbraw/zinc/10/16/81/661101681.db2.gz BVNNEWUILLPHMO-HZPDHXFCSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208756 661101682 /nfs/dbraw/zinc/10/16/82/661101682.db2.gz BVNNEWUILLPHMO-HZPDHXFCSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208756 661101683 /nfs/dbraw/zinc/10/16/83/661101683.db2.gz BVNNEWUILLPHMO-HZPDHXFCSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[N@H+]1CCCN(C(=O)Cn2cnc3c2CCCC3)CC1 ZINC000981629077 661182994 /nfs/dbraw/zinc/18/29/94/661182994.db2.gz CIFJTHNPVPJPQN-UHFFFAOYSA-N 2 1 300.406 0.929 20 30 DCEDMP C#CC[N@@H+]1CCCN(C(=O)Cn2cnc3c2CCCC3)CC1 ZINC000981629077 661182996 /nfs/dbraw/zinc/18/29/96/661182996.db2.gz CIFJTHNPVPJPQN-UHFFFAOYSA-N 2 1 300.406 0.929 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023374313 657798522 /nfs/dbraw/zinc/79/85/22/657798522.db2.gz MPCYCLPNLUUMQV-OAHLLOKOSA-N 2 1 317.437 0.520 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2CC#C)C1 ZINC001023424138 657845983 /nfs/dbraw/zinc/84/59/83/657845983.db2.gz PNZNQANSFLPPRI-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001023424138 657845990 /nfs/dbraw/zinc/84/59/90/657845990.db2.gz PNZNQANSFLPPRI-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001023424138 657845999 /nfs/dbraw/zinc/84/59/99/657845999.db2.gz PNZNQANSFLPPRI-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001023424138 657846007 /nfs/dbraw/zinc/84/60/07/657846007.db2.gz PNZNQANSFLPPRI-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001023424138 657846014 /nfs/dbraw/zinc/84/60/14/657846014.db2.gz PNZNQANSFLPPRI-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041841769 658392548 /nfs/dbraw/zinc/39/25/48/658392548.db2.gz UCWMZDUPPITFJL-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041841769 658392552 /nfs/dbraw/zinc/39/25/52/658392552.db2.gz UCWMZDUPPITFJL-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841769 658392561 /nfs/dbraw/zinc/39/25/61/658392561.db2.gz UCWMZDUPPITFJL-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841769 658392576 /nfs/dbraw/zinc/39/25/76/658392576.db2.gz UCWMZDUPPITFJL-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561641 658717380 /nfs/dbraw/zinc/71/73/80/658717380.db2.gz UFNDSSRUNCLABG-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561641 658717384 /nfs/dbraw/zinc/71/73/84/658717384.db2.gz UFNDSSRUNCLABG-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561641 658717388 /nfs/dbraw/zinc/71/73/88/658717388.db2.gz UFNDSSRUNCLABG-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561641 658717390 /nfs/dbraw/zinc/71/73/90/658717390.db2.gz UFNDSSRUNCLABG-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000999300280 665625529 /nfs/dbraw/zinc/62/55/29/665625529.db2.gz HDXKDYFHZBPLPX-VQCLRJIVSA-N 2 1 300.406 0.966 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781316 659555725 /nfs/dbraw/zinc/55/57/25/659555725.db2.gz CDMUXYWYCTYLLL-SMLCLMEVSA-N 2 1 301.434 0.931 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781316 659555727 /nfs/dbraw/zinc/55/57/27/659555727.db2.gz CDMUXYWYCTYLLL-SMLCLMEVSA-N 2 1 301.434 0.931 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781316 659555729 /nfs/dbraw/zinc/55/57/29/659555729.db2.gz CDMUXYWYCTYLLL-SMLCLMEVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038347000 659748132 /nfs/dbraw/zinc/74/81/32/659748132.db2.gz UEKLHCAWWSMRDZ-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038347000 659748142 /nfs/dbraw/zinc/74/81/42/659748142.db2.gz UEKLHCAWWSMRDZ-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038347000 659748145 /nfs/dbraw/zinc/74/81/45/659748145.db2.gz UEKLHCAWWSMRDZ-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038347000 659748151 /nfs/dbraw/zinc/74/81/51/659748151.db2.gz UEKLHCAWWSMRDZ-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982807174 661676302 /nfs/dbraw/zinc/67/63/02/661676302.db2.gz BUIBBTISZZOYSB-CALCHBBNSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982807174 661676303 /nfs/dbraw/zinc/67/63/03/661676303.db2.gz BUIBBTISZZOYSB-CALCHBBNSA-N 2 1 300.406 0.995 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042756443 663076567 /nfs/dbraw/zinc/07/65/67/663076567.db2.gz PXIDYFLTGGQKDE-GDBMZVCRSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042756443 663076569 /nfs/dbraw/zinc/07/65/69/663076569.db2.gz PXIDYFLTGGQKDE-GDBMZVCRSA-N 2 1 307.438 0.958 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941229492 665950909 /nfs/dbraw/zinc/95/09/09/665950909.db2.gz AWWKNVCJLOBYQV-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941229492 665950912 /nfs/dbraw/zinc/95/09/12/665950912.db2.gz AWWKNVCJLOBYQV-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229492 665950914 /nfs/dbraw/zinc/95/09/14/665950914.db2.gz AWWKNVCJLOBYQV-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229492 665950915 /nfs/dbraw/zinc/95/09/15/665950915.db2.gz AWWKNVCJLOBYQV-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404855 665991045 /nfs/dbraw/zinc/99/10/45/665991045.db2.gz QXANEJKJJIFSNK-KRWDZBQOSA-N 2 1 320.481 0.874 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404855 665991046 /nfs/dbraw/zinc/99/10/46/665991046.db2.gz QXANEJKJJIFSNK-KRWDZBQOSA-N 2 1 320.481 0.874 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001032587771 665380526 /nfs/dbraw/zinc/38/05/26/665380526.db2.gz TUVWDTXAHUCFPC-JYJNAYRXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001032587771 665380528 /nfs/dbraw/zinc/38/05/28/665380528.db2.gz TUVWDTXAHUCFPC-JYJNAYRXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032587771 665380531 /nfs/dbraw/zinc/38/05/31/665380531.db2.gz TUVWDTXAHUCFPC-JYJNAYRXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032587771 665380533 /nfs/dbraw/zinc/38/05/33/665380533.db2.gz TUVWDTXAHUCFPC-JYJNAYRXSA-N 2 1 307.438 0.957 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756725 666098825 /nfs/dbraw/zinc/09/88/25/666098825.db2.gz IZFPQCPZNDJUJL-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756721 666098891 /nfs/dbraw/zinc/09/88/91/666098891.db2.gz IWKVFKVHIWZDIB-MRXNPFEDSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001691146436 1157595428 /nfs/dbraw/zinc/59/54/28/1157595428.db2.gz ULMKQVNLGAJBKK-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCN1CC[C@H](N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001032838292 666298660 /nfs/dbraw/zinc/29/86/60/666298660.db2.gz GTMWDRFEAVVAOK-KFWWJZLASA-N 2 1 320.437 0.058 20 30 DCEDMP C=CCN1CC[C@H](N2CC[C@@H](NC(=O)[C@H]3CCCN3C)C2)C1=O ZINC001032838292 666298663 /nfs/dbraw/zinc/29/86/63/666298663.db2.gz GTMWDRFEAVVAOK-KFWWJZLASA-N 2 1 320.437 0.058 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000922607655 666492841 /nfs/dbraw/zinc/49/28/41/666492841.db2.gz JMRQIHVBJXEVTB-UHFFFAOYSA-N 2 1 308.426 0.106 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033096799 666503341 /nfs/dbraw/zinc/50/33/41/666503341.db2.gz NKXYQNBEHFUPFI-HNNXBMFYSA-N 2 1 300.406 0.928 20 30 DCEDMP C#CCN1CC[C@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033096799 666503343 /nfs/dbraw/zinc/50/33/43/666503343.db2.gz NKXYQNBEHFUPFI-HNNXBMFYSA-N 2 1 300.406 0.928 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2C)CC1 ZINC000945178665 666577331 /nfs/dbraw/zinc/57/73/31/666577331.db2.gz FZORXFCTOSIUQL-DOTOQJQBSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001033357574 666690760 /nfs/dbraw/zinc/69/07/60/666690760.db2.gz IFSGURWQBSVJMS-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357574 666690765 /nfs/dbraw/zinc/69/07/65/666690765.db2.gz IFSGURWQBSVJMS-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357574 666690766 /nfs/dbraw/zinc/69/07/66/666690766.db2.gz IFSGURWQBSVJMS-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357574 666690769 /nfs/dbraw/zinc/69/07/69/666690769.db2.gz IFSGURWQBSVJMS-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357574 666690772 /nfs/dbraw/zinc/69/07/72/666690772.db2.gz IFSGURWQBSVJMS-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490380 666730667 /nfs/dbraw/zinc/73/06/67/666730667.db2.gz RIUAEDWCNBERAU-INIZCTEOSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996186004 666746237 /nfs/dbraw/zinc/74/62/37/666746237.db2.gz IFRHPMCBYULBKC-LSDHHAIUSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996186004 666746240 /nfs/dbraw/zinc/74/62/40/666746240.db2.gz IFRHPMCBYULBKC-LSDHHAIUSA-N 2 1 307.438 0.555 20 30 DCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000996673254 666854658 /nfs/dbraw/zinc/85/46/58/666854658.db2.gz URNREXKGQSHEJD-HNNXBMFYSA-N 2 1 305.426 0.580 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734454479 666876873 /nfs/dbraw/zinc/87/68/73/666876873.db2.gz XZBAYSYFTBVUHY-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734454479 666876875 /nfs/dbraw/zinc/87/68/75/666876875.db2.gz XZBAYSYFTBVUHY-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000734454479 666876877 /nfs/dbraw/zinc/87/68/77/666876877.db2.gz XZBAYSYFTBVUHY-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000734454479 666876880 /nfs/dbraw/zinc/87/68/80/666876880.db2.gz XZBAYSYFTBVUHY-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCOC)C2)CC1 ZINC001034538559 667065232 /nfs/dbraw/zinc/06/52/32/667065232.db2.gz PNVVVVRHOBVIQN-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC001035713223 667403279 /nfs/dbraw/zinc/40/32/79/667403279.db2.gz OYUADGOAHHMBJN-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCOC)C2)CC1 ZINC001035724503 667404237 /nfs/dbraw/zinc/40/42/37/667404237.db2.gz JKXAQTNSNRXHKB-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCOC)C2)CC1 ZINC001035724503 667404238 /nfs/dbraw/zinc/40/42/38/667404238.db2.gz JKXAQTNSNRXHKB-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884198814 667496387 /nfs/dbraw/zinc/49/63/87/667496387.db2.gz HUHSFUCDWUKQEV-BOLLXYOYSA-N 2 1 304.438 0.972 20 30 DCEDMP C=CCOC(=O)[C@@H](N)CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000884227515 667504628 /nfs/dbraw/zinc/50/46/28/667504628.db2.gz RHDRWBWVXWIMCG-KGLIPLIRSA-N 2 1 311.426 0.766 20 30 DCEDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884313870 667522185 /nfs/dbraw/zinc/52/21/85/667522185.db2.gz RICYMBXZRCZUNI-KRIMKBQASA-N 2 1 304.438 0.924 20 30 DCEDMP C#CCC1(O)CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000880476643 669216004 /nfs/dbraw/zinc/21/60/04/669216004.db2.gz AWVPSNSBGFORNK-UHFFFAOYSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842777 670214448 /nfs/dbraw/zinc/21/44/48/670214448.db2.gz UVJJIIQWRTUUMT-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842777 670214450 /nfs/dbraw/zinc/21/44/50/670214450.db2.gz UVJJIIQWRTUUMT-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC000949189330 670283911 /nfs/dbraw/zinc/28/39/11/670283911.db2.gz QFZZLSCFWWPHPF-CVEARBPZSA-N 2 1 319.449 0.511 20 30 DCEDMP C[NH+]=C(NCC[C@@H]1CCC[N@@H+](C)C1)NCCN1CCOCC1 ZINC000849041246 670754400 /nfs/dbraw/zinc/75/44/00/670754400.db2.gz OKBBFNKJOKCYNB-HNNXBMFYSA-N 2 1 311.474 0.216 20 30 DCEDMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC000858136989 670973859 /nfs/dbraw/zinc/97/38/59/670973859.db2.gz BZMWRSXEYDFOOZ-VCHHOEMESA-N 2 1 306.410 0.975 20 30 DCEDMP C#CCO[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000822720850 671339721 /nfs/dbraw/zinc/33/97/21/671339721.db2.gz LYNCDHMFVXEWJD-ZDUSSCGKSA-N 2 1 302.378 0.810 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001020250674 693746084 /nfs/dbraw/zinc/74/60/84/693746084.db2.gz LBXBEVBFEFDEQE-JYJNAYRXSA-N 2 1 315.421 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001020250674 693746085 /nfs/dbraw/zinc/74/60/85/693746085.db2.gz LBXBEVBFEFDEQE-JYJNAYRXSA-N 2 1 315.421 0.218 20 30 DCEDMP CCOCCCNC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303769564 685206372 /nfs/dbraw/zinc/20/63/72/685206372.db2.gz BCLSAADQSSGEJS-OKILXGFUSA-N 2 1 300.447 0.817 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958170938 687402834 /nfs/dbraw/zinc/40/28/34/687402834.db2.gz CLVSJNPGJBVYQL-HOTGVXAUSA-N 2 1 321.465 0.847 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958598069 687785634 /nfs/dbraw/zinc/78/56/34/687785634.db2.gz HOXOZEZNHNLCIY-IUODEOHRSA-N 2 1 304.394 0.356 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCC=C)C[C@H]2O)CC1 ZINC000958725171 687877569 /nfs/dbraw/zinc/87/75/69/687877569.db2.gz WHMRZNWDAFFPRY-DLBZAZTESA-N 2 1 319.449 0.317 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038809632 694198364 /nfs/dbraw/zinc/19/83/64/694198364.db2.gz JMZZIHQNURMHMB-OAHLLOKOSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038809628 694198391 /nfs/dbraw/zinc/19/83/91/694198391.db2.gz JMZZIHQNURMHMB-HNNXBMFYSA-N 2 1 303.410 0.272 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279895 688587003 /nfs/dbraw/zinc/58/70/03/688587003.db2.gz IUFYNWRHTPNWBU-VCAPWORMSA-N 2 1 303.406 0.082 20 30 DCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961279895 688587004 /nfs/dbraw/zinc/58/70/04/688587004.db2.gz IUFYNWRHTPNWBU-VCAPWORMSA-N 2 1 303.406 0.082 20 30 DCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961279895 688587006 /nfs/dbraw/zinc/58/70/06/688587006.db2.gz IUFYNWRHTPNWBU-VCAPWORMSA-N 2 1 303.406 0.082 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000961583608 688661907 /nfs/dbraw/zinc/66/19/07/688661907.db2.gz VYUPZDXBCIHYRB-QXSJWSMHSA-N 2 1 307.438 0.718 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000961583608 688661910 /nfs/dbraw/zinc/66/19/10/688661910.db2.gz VYUPZDXBCIHYRB-QXSJWSMHSA-N 2 1 307.438 0.718 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961583608 688661913 /nfs/dbraw/zinc/66/19/13/688661913.db2.gz VYUPZDXBCIHYRB-QXSJWSMHSA-N 2 1 307.438 0.718 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961583608 688661916 /nfs/dbraw/zinc/66/19/16/688661916.db2.gz VYUPZDXBCIHYRB-QXSJWSMHSA-N 2 1 307.438 0.718 20 30 DCEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001039393687 694355685 /nfs/dbraw/zinc/35/56/85/694355685.db2.gz MOVBHOSLPVGWMA-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001039393687 694355688 /nfs/dbraw/zinc/35/56/88/694355688.db2.gz MOVBHOSLPVGWMA-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001039393687 694355691 /nfs/dbraw/zinc/35/56/91/694355691.db2.gz MOVBHOSLPVGWMA-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001039393687 694355694 /nfs/dbraw/zinc/35/56/94/694355694.db2.gz MOVBHOSLPVGWMA-WCXIOVBPSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCCO)CC[C@@H]2C)CC1 ZINC000968682941 690365355 /nfs/dbraw/zinc/36/53/55/690365355.db2.gz WKNANCZBGUFZNR-RDJZCZTQSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCOC)CC[C@@H]2C)CC1 ZINC000968681620 690365433 /nfs/dbraw/zinc/36/54/33/690365433.db2.gz KQGGCSTWVHQBEQ-RDJZCZTQSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007987491 690784181 /nfs/dbraw/zinc/78/41/81/690784181.db2.gz CDAAHWDCUVJOIH-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007987491 690784186 /nfs/dbraw/zinc/78/41/86/690784186.db2.gz CDAAHWDCUVJOIH-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007987491 690784189 /nfs/dbraw/zinc/78/41/89/690784189.db2.gz CDAAHWDCUVJOIH-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007992411 690785129 /nfs/dbraw/zinc/78/51/29/690785129.db2.gz WRYIOCRIGQETME-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007992411 690785133 /nfs/dbraw/zinc/78/51/33/690785133.db2.gz WRYIOCRIGQETME-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007992411 690785137 /nfs/dbraw/zinc/78/51/37/690785137.db2.gz WRYIOCRIGQETME-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007992411 690785142 /nfs/dbraw/zinc/78/51/42/690785142.db2.gz WRYIOCRIGQETME-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014455627 692024015 /nfs/dbraw/zinc/02/40/15/692024015.db2.gz AYUBRHKJPLOLNQ-CQSZACIVSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCO)CC2 ZINC001016669940 692743499 /nfs/dbraw/zinc/74/34/99/692743499.db2.gz NRBKLNGURJMNLB-JKSUJKDBSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCO)CC2 ZINC001016669940 692743502 /nfs/dbraw/zinc/74/35/02/692743502.db2.gz NRBKLNGURJMNLB-JKSUJKDBSA-N 2 1 319.449 0.437 20 30 DCEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040653226 694587463 /nfs/dbraw/zinc/58/74/63/694587463.db2.gz TWROBTNGOMBTEA-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040653226 694587466 /nfs/dbraw/zinc/58/74/66/694587466.db2.gz TWROBTNGOMBTEA-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040651728 694587554 /nfs/dbraw/zinc/58/75/54/694587554.db2.gz AZHVYCGENJTCQX-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040651728 694587556 /nfs/dbraw/zinc/58/75/56/694587556.db2.gz AZHVYCGENJTCQX-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001018963197 693298439 /nfs/dbraw/zinc/29/84/39/693298439.db2.gz CYUWWHOOUDGBIB-GOEBONIOSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnoc2C)C1 ZINC001018986188 693308364 /nfs/dbraw/zinc/30/83/64/693308364.db2.gz UYCSBHGWKGIUJP-HOTGVXAUSA-N 2 1 316.405 0.771 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnoc2C)C1 ZINC001018986188 693308367 /nfs/dbraw/zinc/30/83/67/693308367.db2.gz UYCSBHGWKGIUJP-HOTGVXAUSA-N 2 1 316.405 0.771 20 30 DCEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059675 694699630 /nfs/dbraw/zinc/69/96/30/694699630.db2.gz PFRSINJOXAEBCO-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059675 694699631 /nfs/dbraw/zinc/69/96/31/694699631.db2.gz PFRSINJOXAEBCO-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC)CCCO2)CC1 ZINC001073899172 694798547 /nfs/dbraw/zinc/79/85/47/694798547.db2.gz MSFXESRRNDHEMR-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001571609180 1162859584 /nfs/dbraw/zinc/85/95/84/1162859584.db2.gz YACGOHUAAKBXLA-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001670469757 1157446928 /nfs/dbraw/zinc/44/69/28/1157446928.db2.gz LPSGLABQPURNJT-IRXDYDNUSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCC[NH+]1CCN(CCCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001731360360 1157771471 /nfs/dbraw/zinc/77/14/71/1157771471.db2.gz WCJVTITXQIENSX-UHFFFAOYSA-N 2 1 319.453 0.892 20 30 DCEDMP C=C(C)C[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691535314 1158316820 /nfs/dbraw/zinc/31/68/20/1158316820.db2.gz FBAUROZNVOMHMH-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691535314 1158316823 /nfs/dbraw/zinc/31/68/23/1158316823.db2.gz FBAUROZNVOMHMH-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691535314 1158316829 /nfs/dbraw/zinc/31/68/29/1158316829.db2.gz FBAUROZNVOMHMH-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001671684348 1158384233 /nfs/dbraw/zinc/38/42/33/1158384233.db2.gz NSXRDYLZTBXTPS-MRXNPFEDSA-N 2 1 305.422 0.313 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001671684348 1158384272 /nfs/dbraw/zinc/38/42/72/1158384272.db2.gz NSXRDYLZTBXTPS-MRXNPFEDSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCO)CC1 ZINC001566984667 1160200781 /nfs/dbraw/zinc/20/07/81/1160200781.db2.gz YAYFEKBVGVFHMJ-GPANFISMSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCO)CC1 ZINC001566984667 1160200786 /nfs/dbraw/zinc/20/07/86/1160200786.db2.gz YAYFEKBVGVFHMJ-GPANFISMSA-N 2 1 307.438 0.483 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568991836 1160911382 /nfs/dbraw/zinc/91/13/82/1160911382.db2.gz LXGRHCNCNMYCTA-KGLIPLIRSA-N 2 1 310.442 0.256 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001569560952 1161149768 /nfs/dbraw/zinc/14/97/68/1161149768.db2.gz LLJNOYLQBACCQW-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001569596378 1161161733 /nfs/dbraw/zinc/16/17/33/1161161733.db2.gz YOWSQPDKZUADHL-CQSZACIVSA-N 2 1 318.421 0.499 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001569730129 1161209618 /nfs/dbraw/zinc/20/96/18/1161209618.db2.gz DHJXCUMQJGYCSF-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569748780 1161220176 /nfs/dbraw/zinc/22/01/76/1161220176.db2.gz IUTZNOFJSONBEF-UKRRQHHQSA-N 2 1 301.406 0.405 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569785771 1161247943 /nfs/dbraw/zinc/24/79/43/1161247943.db2.gz UHXKLLPQKJCZKU-UHFFFAOYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001569897873 1161304836 /nfs/dbraw/zinc/30/48/36/1161304836.db2.gz IAPQXOGQCOSNFC-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001569897873 1161304844 /nfs/dbraw/zinc/30/48/44/1161304844.db2.gz IAPQXOGQCOSNFC-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001569897873 1161304849 /nfs/dbraw/zinc/30/48/49/1161304849.db2.gz IAPQXOGQCOSNFC-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1=CC[N@@H+](C)CC1 ZINC001576186699 1164263290 /nfs/dbraw/zinc/26/32/90/1164263290.db2.gz QJPOLCCABLIDQA-ZCYLDUCGSA-N 2 1 302.422 0.892 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001660934878 1174071428 /nfs/dbraw/zinc/07/14/28/1174071428.db2.gz YECFGAPDJZXSKH-UHFFFAOYSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001661895401 1174168454 /nfs/dbraw/zinc/16/84/54/1174168454.db2.gz DZMWDXAOUMQZRN-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001662877880 1174248580 /nfs/dbraw/zinc/24/85/80/1174248580.db2.gz INAFCTMLBPKTDP-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001662877880 1174248588 /nfs/dbraw/zinc/24/85/88/1174248588.db2.gz INAFCTMLBPKTDP-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001662877880 1174248594 /nfs/dbraw/zinc/24/85/94/1174248594.db2.gz INAFCTMLBPKTDP-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001662877880 1174248601 /nfs/dbraw/zinc/24/86/01/1174248601.db2.gz INAFCTMLBPKTDP-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663340123 1174288411 /nfs/dbraw/zinc/28/84/11/1174288411.db2.gz ZVJPQMWANBBFFH-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663340123 1174288415 /nfs/dbraw/zinc/28/84/15/1174288415.db2.gz ZVJPQMWANBBFFH-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001664467621 1174434366 /nfs/dbraw/zinc/43/43/66/1174434366.db2.gz NKFZKFVGJHOIQS-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001664467621 1174434369 /nfs/dbraw/zinc/43/43/69/1174434369.db2.gz NKFZKFVGJHOIQS-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001667182615 1174667155 /nfs/dbraw/zinc/66/71/55/1174667155.db2.gz KDPAQGOZNCEQEC-GOEBONIOSA-N 2 1 318.421 0.668 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672043711 1175070811 /nfs/dbraw/zinc/07/08/11/1175070811.db2.gz AOPNPMZHLFZHBR-AEFFLSMTSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001672485944 1175115207 /nfs/dbraw/zinc/11/52/07/1175115207.db2.gz AOCCXGPZAXDOCJ-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001672485944 1175115209 /nfs/dbraw/zinc/11/52/09/1175115209.db2.gz AOCCXGPZAXDOCJ-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001672485944 1175115213 /nfs/dbraw/zinc/11/52/13/1175115213.db2.gz AOCCXGPZAXDOCJ-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001672485944 1175115217 /nfs/dbraw/zinc/11/52/17/1175115217.db2.gz AOCCXGPZAXDOCJ-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001672503715 1175119952 /nfs/dbraw/zinc/11/99/52/1175119952.db2.gz PMLAOHMLPIAJMA-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001672503715 1175119955 /nfs/dbraw/zinc/11/99/55/1175119955.db2.gz PMLAOHMLPIAJMA-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672529258 1175123201 /nfs/dbraw/zinc/12/32/01/1175123201.db2.gz BXYVZVXEMQVOHZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001674154457 1175260404 /nfs/dbraw/zinc/26/04/04/1175260404.db2.gz LGYRKWIIOYJHSQ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001674154457 1175260409 /nfs/dbraw/zinc/26/04/09/1175260409.db2.gz LGYRKWIIOYJHSQ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001674154457 1175260415 /nfs/dbraw/zinc/26/04/15/1175260415.db2.gz LGYRKWIIOYJHSQ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001674154457 1175260421 /nfs/dbraw/zinc/26/04/21/1175260421.db2.gz LGYRKWIIOYJHSQ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001675360411 1175351082 /nfs/dbraw/zinc/35/10/82/1175351082.db2.gz YKYPAPWHMDEHIJ-HUUCEWRRSA-N 2 1 309.454 0.967 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC#CC[NH+](C)C)C1 ZINC001675861697 1175397606 /nfs/dbraw/zinc/39/76/06/1175397606.db2.gz AARLEFKJUTWFDA-OAHLLOKOSA-N 2 1 310.442 0.207 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001676079087 1175417582 /nfs/dbraw/zinc/41/75/82/1175417582.db2.gz JDAIPDLFJOCFME-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001676079087 1175417585 /nfs/dbraw/zinc/41/75/85/1175417585.db2.gz JDAIPDLFJOCFME-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001676079087 1175417588 /nfs/dbraw/zinc/41/75/88/1175417588.db2.gz JDAIPDLFJOCFME-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001677511403 1175572289 /nfs/dbraw/zinc/57/22/89/1175572289.db2.gz RMGATQVJSICANG-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001688791976 1176621629 /nfs/dbraw/zinc/62/16/29/1176621629.db2.gz XFZOJVDCDHDVIO-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001689250778 1176767287 /nfs/dbraw/zinc/76/72/87/1176767287.db2.gz DEUCDYVPHYOTGH-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001689793584 1177043588 /nfs/dbraw/zinc/04/35/88/1177043588.db2.gz PIWVQCFMHKXOTR-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001689793584 1177043597 /nfs/dbraw/zinc/04/35/97/1177043597.db2.gz PIWVQCFMHKXOTR-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001689793584 1177043605 /nfs/dbraw/zinc/04/36/05/1177043605.db2.gz PIWVQCFMHKXOTR-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[NH+](CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001690064192 1177157881 /nfs/dbraw/zinc/15/78/81/1177157881.db2.gz DUUIOLLXXZDVCS-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001690064192 1177157884 /nfs/dbraw/zinc/15/78/84/1177157884.db2.gz DUUIOLLXXZDVCS-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001690064192 1177157886 /nfs/dbraw/zinc/15/78/86/1177157886.db2.gz DUUIOLLXXZDVCS-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC#CCOC)C1 ZINC001690614195 1177281618 /nfs/dbraw/zinc/28/16/18/1177281618.db2.gz FLSSDUNADCFEBQ-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001690955090 1177361547 /nfs/dbraw/zinc/36/15/47/1177361547.db2.gz KEAOPSAYWRVABW-UHFFFAOYSA-N 2 1 314.389 0.954 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691947562 1177388401 /nfs/dbraw/zinc/38/84/01/1177388401.db2.gz FJQBBIZEXXHSPW-HRCADAONSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CCCO)C2)CC1 ZINC001691999332 1177400035 /nfs/dbraw/zinc/40/00/35/1177400035.db2.gz RZTBHNSZOCYONP-MRXNPFEDSA-N 2 1 321.465 0.494 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001692025795 1177402972 /nfs/dbraw/zinc/40/29/72/1177402972.db2.gz SXZFLEIIBWBPMC-SOUVJXGZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001692025795 1177402982 /nfs/dbraw/zinc/40/29/82/1177402982.db2.gz SXZFLEIIBWBPMC-SOUVJXGZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001692025795 1177402988 /nfs/dbraw/zinc/40/29/88/1177402988.db2.gz SXZFLEIIBWBPMC-SOUVJXGZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001692025795 1177402993 /nfs/dbraw/zinc/40/29/93/1177402993.db2.gz SXZFLEIIBWBPMC-SOUVJXGZSA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001692197674 1177444463 /nfs/dbraw/zinc/44/44/63/1177444463.db2.gz YQCAKHUUXAGDFL-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001692197674 1177444467 /nfs/dbraw/zinc/44/44/67/1177444467.db2.gz YQCAKHUUXAGDFL-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699001625 1177764950 /nfs/dbraw/zinc/76/49/50/1177764950.db2.gz LMBYCGGPKCWTLX-INIZCTEOSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001699773967 1178284915 /nfs/dbraw/zinc/28/49/15/1178284915.db2.gz JEQJLVOYCXQBHO-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001699773967 1178284921 /nfs/dbraw/zinc/28/49/21/1178284921.db2.gz JEQJLVOYCXQBHO-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001699878917 1178327136 /nfs/dbraw/zinc/32/71/36/1178327136.db2.gz DXPOZRXNMBSYQE-AEFFLSMTSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001699908106 1178365551 /nfs/dbraw/zinc/36/55/51/1178365551.db2.gz VBBDRTRZTMTSEL-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001699908106 1178365558 /nfs/dbraw/zinc/36/55/58/1178365558.db2.gz VBBDRTRZTMTSEL-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001699908106 1178365565 /nfs/dbraw/zinc/36/55/65/1178365565.db2.gz VBBDRTRZTMTSEL-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001700083413 1178472266 /nfs/dbraw/zinc/47/22/66/1178472266.db2.gz SDAVMQABWQWNNW-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001700181427 1178520716 /nfs/dbraw/zinc/52/07/16/1178520716.db2.gz VNFAVKGIPXUBMP-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001700233099 1178543676 /nfs/dbraw/zinc/54/36/76/1178543676.db2.gz MXUBDHITBUQUQF-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001700236823 1178546267 /nfs/dbraw/zinc/54/62/67/1178546267.db2.gz QWVZKKCFUSBKOI-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001700319729 1178580228 /nfs/dbraw/zinc/58/02/28/1178580228.db2.gz DTWIIEIKSHVFAH-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001700319729 1178580231 /nfs/dbraw/zinc/58/02/31/1178580231.db2.gz DTWIIEIKSHVFAH-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001700319729 1178580234 /nfs/dbraw/zinc/58/02/34/1178580234.db2.gz DTWIIEIKSHVFAH-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700358579 1178594561 /nfs/dbraw/zinc/59/45/61/1178594561.db2.gz YFRQBXPYHLWXDH-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCn2cncc2C1 ZINC001700703689 1178713441 /nfs/dbraw/zinc/71/34/41/1178713441.db2.gz BDFWYBCUGPQCCL-HNNXBMFYSA-N 2 1 318.421 0.533 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001700722768 1178722311 /nfs/dbraw/zinc/72/23/11/1178722311.db2.gz ZKHKEOLFGUUURK-DJIMGWMZSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001707208580 1180434344 /nfs/dbraw/zinc/43/43/44/1180434344.db2.gz LSDLVLUGVDSSRB-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCOC)C2)CC1 ZINC001713064589 1180657821 /nfs/dbraw/zinc/65/78/21/1180657821.db2.gz YTBNLEKXHFEYRE-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713079213 1180672122 /nfs/dbraw/zinc/67/21/22/1180672122.db2.gz ZIJPVCFDXDJWAB-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001713513385 1180884347 /nfs/dbraw/zinc/88/43/47/1180884347.db2.gz DKSWSTJTXGSFIL-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713745120 1181039585 /nfs/dbraw/zinc/03/95/85/1181039585.db2.gz ULOFZMGEMAXQME-INIZCTEOSA-N 2 1 306.454 0.037 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713953184 1181170507 /nfs/dbraw/zinc/17/05/07/1181170507.db2.gz WVXCAIHIBIYJSD-KKUMJFAQSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713953184 1181170511 /nfs/dbraw/zinc/17/05/11/1181170511.db2.gz WVXCAIHIBIYJSD-KKUMJFAQSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714586368 1181427210 /nfs/dbraw/zinc/42/72/10/1181427210.db2.gz OYRUKVFFUYKXFP-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714586368 1181427216 /nfs/dbraw/zinc/42/72/16/1181427216.db2.gz OYRUKVFFUYKXFP-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714586368 1181427219 /nfs/dbraw/zinc/42/72/19/1181427219.db2.gz OYRUKVFFUYKXFP-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001714586368 1181427220 /nfs/dbraw/zinc/42/72/20/1181427220.db2.gz OYRUKVFFUYKXFP-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001714634334 1181454355 /nfs/dbraw/zinc/45/43/55/1181454355.db2.gz LYSAVRDRELSWHQ-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001714634334 1181454357 /nfs/dbraw/zinc/45/43/57/1181454357.db2.gz LYSAVRDRELSWHQ-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714634334 1181454358 /nfs/dbraw/zinc/45/43/58/1181454358.db2.gz LYSAVRDRELSWHQ-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)C[C@@H]1CCOC1 ZINC001714656273 1181462540 /nfs/dbraw/zinc/46/25/40/1181462540.db2.gz VHEXSVMRYLVFES-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)C[C@@H]1CCOC1 ZINC001714656273 1181462543 /nfs/dbraw/zinc/46/25/43/1181462543.db2.gz VHEXSVMRYLVFES-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)C[C@@H]1CCOC1 ZINC001714656273 1181462545 /nfs/dbraw/zinc/46/25/45/1181462545.db2.gz VHEXSVMRYLVFES-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)C[C@@H]1CCOC1 ZINC001714656273 1181462547 /nfs/dbraw/zinc/46/25/47/1181462547.db2.gz VHEXSVMRYLVFES-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001714731973 1181512051 /nfs/dbraw/zinc/51/20/51/1181512051.db2.gz VJEKYCVKQJBVFU-JYJNAYRXSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C[C@H](C)O)CC1 ZINC001714915109 1181599999 /nfs/dbraw/zinc/59/99/99/1181599999.db2.gz RXEYBYRZXUGVLT-RDJZCZTQSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)C[C@H](C)O)CC1 ZINC001714915109 1181600002 /nfs/dbraw/zinc/60/00/02/1181600002.db2.gz RXEYBYRZXUGVLT-RDJZCZTQSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C[C@H](C)O)CC1 ZINC001714915109 1181600004 /nfs/dbraw/zinc/60/00/04/1181600004.db2.gz RXEYBYRZXUGVLT-RDJZCZTQSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C[C@H](C)O)CC1 ZINC001714915109 1181600007 /nfs/dbraw/zinc/60/00/07/1181600007.db2.gz RXEYBYRZXUGVLT-RDJZCZTQSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC#CCOC ZINC001715062666 1181679181 /nfs/dbraw/zinc/67/91/81/1181679181.db2.gz IHAVZBCNPXXYGK-HOTGVXAUSA-N 2 1 305.422 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC#CCOC ZINC001715062666 1181679185 /nfs/dbraw/zinc/67/91/85/1181679185.db2.gz IHAVZBCNPXXYGK-HOTGVXAUSA-N 2 1 305.422 0.218 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001715379222 1181795606 /nfs/dbraw/zinc/79/56/06/1181795606.db2.gz SSVGENZSBYUHJE-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001715429393 1181810326 /nfs/dbraw/zinc/81/03/26/1181810326.db2.gz OZRUTEACSJMIDN-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001715491741 1181828016 /nfs/dbraw/zinc/82/80/16/1181828016.db2.gz UPQCMMCPJKZHGY-KBPBESRZSA-N 2 1 310.442 0.113 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001715774432 1181988430 /nfs/dbraw/zinc/98/84/30/1181988430.db2.gz WEWJJXALPLCRKF-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001716944353 1182597295 /nfs/dbraw/zinc/59/72/95/1182597295.db2.gz YELYLCCMYZOWPN-GJZGRUSLSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001716944353 1182597299 /nfs/dbraw/zinc/59/72/99/1182597299.db2.gz YELYLCCMYZOWPN-GJZGRUSLSA-N 2 1 307.438 0.742 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001717025420 1182632604 /nfs/dbraw/zinc/63/26/04/1182632604.db2.gz HMXZLBAGQCVOCM-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001717025420 1182632607 /nfs/dbraw/zinc/63/26/07/1182632607.db2.gz HMXZLBAGQCVOCM-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001717025420 1182632610 /nfs/dbraw/zinc/63/26/10/1182632610.db2.gz HMXZLBAGQCVOCM-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001717025420 1182632615 /nfs/dbraw/zinc/63/26/15/1182632615.db2.gz HMXZLBAGQCVOCM-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001717059809 1182657857 /nfs/dbraw/zinc/65/78/57/1182657857.db2.gz ZQPVGSGXFZNPST-OAHLLOKOSA-N 2 1 318.421 0.188 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC#CCOC)C1 ZINC001717105659 1182679595 /nfs/dbraw/zinc/67/95/95/1182679595.db2.gz YHBSTLKDDCIEPG-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001717341819 1182791178 /nfs/dbraw/zinc/79/11/78/1182791178.db2.gz UYJULOJGEVNHFM-ZNMIVQPWSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001717376543 1182811533 /nfs/dbraw/zinc/81/15/33/1182811533.db2.gz TWWZPPKVCCQMGQ-OAHLLOKOSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001717376543 1182811539 /nfs/dbraw/zinc/81/15/39/1182811539.db2.gz TWWZPPKVCCQMGQ-OAHLLOKOSA-N 2 1 322.453 0.307 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC#CCOC)CC1 ZINC001717498450 1182865150 /nfs/dbraw/zinc/86/51/50/1182865150.db2.gz BIOBQAPNDYFINN-MRXNPFEDSA-N 2 1 319.449 0.418 20 30 DCEDMP C#CC[NH2+][C@H](CCN(C)C(=O)CC[NH+]1CCOCC1)C(C)C ZINC001717516904 1182878619 /nfs/dbraw/zinc/87/86/19/1182878619.db2.gz SGDKCPMTKYYGCW-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CCCC)CC1 ZINC001717944483 1183083848 /nfs/dbraw/zinc/08/38/48/1183083848.db2.gz LFDVDBMSDSQHRZ-QGZVFWFLSA-N 2 1 323.481 0.883 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001724903835 1184613019 /nfs/dbraw/zinc/61/30/19/1184613019.db2.gz JPCBIHYVKDFTRU-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001725021108 1184660565 /nfs/dbraw/zinc/66/05/65/1184660565.db2.gz JVAQDGSKKKLYKV-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCOCC1 ZINC001725168917 1184704633 /nfs/dbraw/zinc/70/46/33/1184704633.db2.gz DMZBRHXEDAUUIF-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCOCC1 ZINC001725168917 1184704638 /nfs/dbraw/zinc/70/46/38/1184704638.db2.gz DMZBRHXEDAUUIF-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC001725168917 1184704640 /nfs/dbraw/zinc/70/46/40/1184704640.db2.gz DMZBRHXEDAUUIF-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC001725168917 1184704647 /nfs/dbraw/zinc/70/46/47/1184704647.db2.gz DMZBRHXEDAUUIF-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001725366608 1184788517 /nfs/dbraw/zinc/78/85/17/1184788517.db2.gz KQPXBLDBJGRZEB-WKILWMFISA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001725720019 1184971066 /nfs/dbraw/zinc/97/10/66/1184971066.db2.gz TXFWBBZGIKHOMV-MRXNPFEDSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001725721278 1184971726 /nfs/dbraw/zinc/97/17/26/1184971726.db2.gz AFRWRUOBYAIGNG-OAHLLOKOSA-N 2 1 306.410 0.356 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001725721278 1184971727 /nfs/dbraw/zinc/97/17/27/1184971727.db2.gz AFRWRUOBYAIGNG-OAHLLOKOSA-N 2 1 306.410 0.356 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+](CC#CCOC)CC1 ZINC001725833532 1185021964 /nfs/dbraw/zinc/02/19/64/1185021964.db2.gz LOMWRFQYWCIUTI-UHFFFAOYSA-N 2 1 307.438 0.726 20 30 DCEDMP CCC[NH+](C)CC(=O)NCC1=CC[N@H+](CC#CCOC)CC1 ZINC001725833532 1185021970 /nfs/dbraw/zinc/02/19/70/1185021970.db2.gz LOMWRFQYWCIUTI-UHFFFAOYSA-N 2 1 307.438 0.726 20 30 DCEDMP CCC[NH+](C)CC(=O)NCC1=CC[N@@H+](CC#CCOC)CC1 ZINC001725833532 1185021975 /nfs/dbraw/zinc/02/19/75/1185021975.db2.gz LOMWRFQYWCIUTI-UHFFFAOYSA-N 2 1 307.438 0.726 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001753007768 1185159803 /nfs/dbraw/zinc/15/98/03/1185159803.db2.gz AMGOEECHXZIAPI-HOTGVXAUSA-N 2 1 305.422 0.218 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001753007768 1185159798 /nfs/dbraw/zinc/15/97/98/1185159798.db2.gz AMGOEECHXZIAPI-HOTGVXAUSA-N 2 1 305.422 0.218 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)C[C@@H]1CCOC1 ZINC001731321817 1185265774 /nfs/dbraw/zinc/26/57/74/1185265774.db2.gz GDFTVRVQWLEZRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)C[C@@H]1CCOC1 ZINC001731321817 1185265778 /nfs/dbraw/zinc/26/57/78/1185265778.db2.gz GDFTVRVQWLEZRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C[C@@H]1CCOC1 ZINC001731321817 1185265781 /nfs/dbraw/zinc/26/57/81/1185265781.db2.gz GDFTVRVQWLEZRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C[C@@H]1CCOC1 ZINC001731321817 1185265786 /nfs/dbraw/zinc/26/57/86/1185265786.db2.gz GDFTVRVQWLEZRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C[N@H+](CC(=O)NCCC[NH+]1CCN(CC#N)CC1)CC(C)(C)C ZINC001731361095 1185294702 /nfs/dbraw/zinc/29/47/02/1185294702.db2.gz NLVSUMYLSRZSSW-UHFFFAOYSA-N 2 1 323.485 0.612 20 30 DCEDMP C[N@@H+](CC(=O)NCCC[NH+]1CCN(CC#N)CC1)CC(C)(C)C ZINC001731361095 1185294707 /nfs/dbraw/zinc/29/47/07/1185294707.db2.gz NLVSUMYLSRZSSW-UHFFFAOYSA-N 2 1 323.485 0.612 20 30 DCEDMP C=CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001731363348 1185296317 /nfs/dbraw/zinc/29/63/17/1185296317.db2.gz WGICDXQPLSSDEO-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001731860088 1185536383 /nfs/dbraw/zinc/53/63/83/1185536383.db2.gz IEFRHCBABBWBNX-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001732421218 1185810014 /nfs/dbraw/zinc/81/00/14/1185810014.db2.gz NTIVIGVBZXWJOM-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cncn1C ZINC001732858242 1186018757 /nfs/dbraw/zinc/01/87/57/1186018757.db2.gz APBDJBSWJJDIMK-AWFCHZOYSA-N 2 1 315.421 0.280 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cncn1C ZINC001732858242 1186018758 /nfs/dbraw/zinc/01/87/58/1186018758.db2.gz APBDJBSWJJDIMK-AWFCHZOYSA-N 2 1 315.421 0.280 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001733184320 1186172468 /nfs/dbraw/zinc/17/24/68/1186172468.db2.gz UUBPQHIQRVZIGW-GDBMZVCRSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001733280313 1186210170 /nfs/dbraw/zinc/21/01/70/1186210170.db2.gz GVQMVIFIWGTEQT-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733280313 1186210172 /nfs/dbraw/zinc/21/01/72/1186210172.db2.gz GVQMVIFIWGTEQT-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001733280313 1186210176 /nfs/dbraw/zinc/21/01/76/1186210176.db2.gz GVQMVIFIWGTEQT-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733491517 1186298940 /nfs/dbraw/zinc/29/89/40/1186298940.db2.gz ONYQAZOPGMKJAP-QGZVFWFLSA-N 2 1 309.454 0.541 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001733623804 1186376134 /nfs/dbraw/zinc/37/61/34/1186376134.db2.gz AKXRFSSUCWJZQC-CQSZACIVSA-N 2 1 306.410 0.350 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001733820075 1186460895 /nfs/dbraw/zinc/46/08/95/1186460895.db2.gz DOISRUUATBKOKQ-BQFCYCMXSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001734076436 1186541677 /nfs/dbraw/zinc/54/16/77/1186541677.db2.gz CJUXHFFGTROEAI-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001734076436 1186541679 /nfs/dbraw/zinc/54/16/79/1186541679.db2.gz CJUXHFFGTROEAI-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCOC)C(C)(C)C1 ZINC001734493533 1186665547 /nfs/dbraw/zinc/66/55/47/1186665547.db2.gz CHENNOMLVSLMAE-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCOC)C(C)(C)C1 ZINC001734493533 1186665551 /nfs/dbraw/zinc/66/55/51/1186665551.db2.gz CHENNOMLVSLMAE-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001753008098 1188476500 /nfs/dbraw/zinc/47/65/00/1188476500.db2.gz NELWPPVCKGEBAP-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001753008098 1188476503 /nfs/dbraw/zinc/47/65/03/1188476503.db2.gz NELWPPVCKGEBAP-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001753358794 1188573216 /nfs/dbraw/zinc/57/32/16/1188573216.db2.gz BKAHPTJBROIXQP-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001753427504 1188592625 /nfs/dbraw/zinc/59/26/25/1188592625.db2.gz KBTGDLWFEUTUIF-ILXRZTDVSA-N 2 1 322.453 0.302 20 30 DCEDMP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001753458258 1188602631 /nfs/dbraw/zinc/60/26/31/1188602631.db2.gz CMPYGCXTRLXTPD-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001753458258 1188602634 /nfs/dbraw/zinc/60/26/34/1188602634.db2.gz CMPYGCXTRLXTPD-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001753458258 1188602635 /nfs/dbraw/zinc/60/26/35/1188602635.db2.gz CMPYGCXTRLXTPD-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[N@H+]1CC[C@H](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001753458258 1188602638 /nfs/dbraw/zinc/60/26/38/1188602638.db2.gz CMPYGCXTRLXTPD-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001753696704 1188642566 /nfs/dbraw/zinc/64/25/66/1188642566.db2.gz ONWHQPYOYWQJHX-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001753696704 1188642568 /nfs/dbraw/zinc/64/25/68/1188642568.db2.gz ONWHQPYOYWQJHX-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001753933383 1188688647 /nfs/dbraw/zinc/68/86/47/1188688647.db2.gz KIQXXMIOLNCEMP-IRXDYDNUSA-N 2 1 317.433 0.769 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cn2c[nH+]cc2C)C1=O ZINC001754275466 1188806115 /nfs/dbraw/zinc/80/61/15/1188806115.db2.gz ANJRZQWTZYYLGS-GXTWGEPZSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001754414321 1188849105 /nfs/dbraw/zinc/84/91/05/1188849105.db2.gz ZZKCACFMTDBPLG-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001754701306 1188908384 /nfs/dbraw/zinc/90/83/84/1188908384.db2.gz XNQQXDJWIPRWSQ-QGZVFWFLSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001754874513 1188956043 /nfs/dbraw/zinc/95/60/43/1188956043.db2.gz BCIHCHZGWCQMEQ-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001754874513 1188956045 /nfs/dbraw/zinc/95/60/45/1188956045.db2.gz BCIHCHZGWCQMEQ-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001754874513 1188956046 /nfs/dbraw/zinc/95/60/46/1188956046.db2.gz BCIHCHZGWCQMEQ-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001755088318 1189018744 /nfs/dbraw/zinc/01/87/44/1189018744.db2.gz RNWLGNQRMUROKH-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001755174254 1189045383 /nfs/dbraw/zinc/04/53/83/1189045383.db2.gz OGQTUJFTPXRFOR-UHFFFAOYSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001755182020 1189049188 /nfs/dbraw/zinc/04/91/88/1189049188.db2.gz HDXZCLOUIKNTRP-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001755182020 1189049192 /nfs/dbraw/zinc/04/91/92/1189049192.db2.gz HDXZCLOUIKNTRP-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001755182020 1189049196 /nfs/dbraw/zinc/04/91/96/1189049196.db2.gz HDXZCLOUIKNTRP-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001755182020 1189049200 /nfs/dbraw/zinc/04/92/00/1189049200.db2.gz HDXZCLOUIKNTRP-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC(N)=O)C(C)C ZINC001755339372 1189087843 /nfs/dbraw/zinc/08/78/43/1189087843.db2.gz HGKYMSXXWTVXCJ-GJZGRUSLSA-N 2 1 322.453 0.032 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC(N)=O)C(C)C ZINC001755339372 1189087848 /nfs/dbraw/zinc/08/78/48/1189087848.db2.gz HGKYMSXXWTVXCJ-GJZGRUSLSA-N 2 1 322.453 0.032 20 30 DCEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001755473261 1189121651 /nfs/dbraw/zinc/12/16/51/1189121651.db2.gz JVFGCBXAPWDJGK-JOCQHMNTSA-N 2 1 304.394 0.858 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001755533570 1189138917 /nfs/dbraw/zinc/13/89/17/1189138917.db2.gz XDWDXKSJNJLRIH-UHFFFAOYSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755573080 1189150739 /nfs/dbraw/zinc/15/07/39/1189150739.db2.gz MGSWSZBXPBFWLU-GJZGRUSLSA-N 2 1 322.453 0.067 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755800372 1189220691 /nfs/dbraw/zinc/22/06/91/1189220691.db2.gz HLBJZKWETYALFZ-JKSUJKDBSA-N 2 1 307.438 0.103 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CCOC ZINC001755841651 1189234028 /nfs/dbraw/zinc/23/40/28/1189234028.db2.gz RTNXICBLOIDCKZ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CCOC ZINC001755841651 1189234033 /nfs/dbraw/zinc/23/40/33/1189234033.db2.gz RTNXICBLOIDCKZ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553123 751441874 /nfs/dbraw/zinc/44/18/74/751441874.db2.gz BUCXWJJIQULMFA-BZUAXINKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553123 751441877 /nfs/dbraw/zinc/44/18/77/751441877.db2.gz BUCXWJJIQULMFA-BZUAXINKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553123 751441880 /nfs/dbraw/zinc/44/18/80/751441880.db2.gz BUCXWJJIQULMFA-BZUAXINKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690211 751638785 /nfs/dbraw/zinc/63/87/85/751638785.db2.gz HLTZSHFHRRZRBI-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001077583549 751861601 /nfs/dbraw/zinc/86/16/01/751861601.db2.gz ALOPNGSCBWMFPX-NWANDNLSSA-N 2 1 304.394 0.101 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001077583549 751861607 /nfs/dbraw/zinc/86/16/07/751861607.db2.gz ALOPNGSCBWMFPX-NWANDNLSSA-N 2 1 304.394 0.101 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248267 747421848 /nfs/dbraw/zinc/42/18/48/747421848.db2.gz YLTGLFSINPBIIV-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248267 747421855 /nfs/dbraw/zinc/42/18/55/747421855.db2.gz YLTGLFSINPBIIV-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248267 747421862 /nfs/dbraw/zinc/42/18/62/747421862.db2.gz YLTGLFSINPBIIV-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247827 747422185 /nfs/dbraw/zinc/42/21/85/747422185.db2.gz GMJHAMBZRJWKQI-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247827 747422189 /nfs/dbraw/zinc/42/21/89/747422189.db2.gz GMJHAMBZRJWKQI-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247827 747422195 /nfs/dbraw/zinc/42/21/95/747422195.db2.gz GMJHAMBZRJWKQI-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248284 747422458 /nfs/dbraw/zinc/42/24/58/747422458.db2.gz YSQHZYVODXRWDS-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248284 747422459 /nfs/dbraw/zinc/42/24/59/747422459.db2.gz YSQHZYVODXRWDS-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248284 747422460 /nfs/dbraw/zinc/42/24/60/747422460.db2.gz YSQHZYVODXRWDS-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105264763 748090038 /nfs/dbraw/zinc/09/00/38/748090038.db2.gz PDHIFTLAUWZSRG-HNNXBMFYSA-N 2 1 320.441 0.523 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029150 749090039 /nfs/dbraw/zinc/09/00/39/749090039.db2.gz CWNCWWAMMRGHNW-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172022 749276794 /nfs/dbraw/zinc/27/67/94/749276794.db2.gz RMYRMVIHLMHCNY-CVEARBPZSA-N 2 1 301.434 0.886 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001088202289 749286653 /nfs/dbraw/zinc/28/66/53/749286653.db2.gz TXRFCDPJFITJRN-CVEARBPZSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202289 749286659 /nfs/dbraw/zinc/28/66/59/749286659.db2.gz TXRFCDPJFITJRN-CVEARBPZSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202289 749286664 /nfs/dbraw/zinc/28/66/64/749286664.db2.gz TXRFCDPJFITJRN-CVEARBPZSA-N 2 1 300.406 0.995 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083460394 749799369 /nfs/dbraw/zinc/79/93/69/749799369.db2.gz FTSPONKSCVTULT-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083460302 749799802 /nfs/dbraw/zinc/79/98/02/749799802.db2.gz AAHVZICJDANGBH-CABCVRRESA-N 2 1 307.438 0.436 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077399729 750394125 /nfs/dbraw/zinc/39/41/25/750394125.db2.gz YPRSOXKPXMRCAL-GDBMZVCRSA-N 2 1 318.421 0.499 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077399729 750394134 /nfs/dbraw/zinc/39/41/34/750394134.db2.gz YPRSOXKPXMRCAL-GDBMZVCRSA-N 2 1 318.421 0.499 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120449966 750648639 /nfs/dbraw/zinc/64/86/39/750648639.db2.gz QSLYPAVWFCWZRO-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719787 751032696 /nfs/dbraw/zinc/03/26/96/751032696.db2.gz WFCBXBKFVTXJOP-XHSDSOJGSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719787 751032703 /nfs/dbraw/zinc/03/27/03/751032703.db2.gz WFCBXBKFVTXJOP-XHSDSOJGSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733218 751211736 /nfs/dbraw/zinc/21/17/36/751211736.db2.gz FEGNBNJYXCOQRK-KGLIPLIRSA-N 2 1 307.394 0.692 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733218 751211737 /nfs/dbraw/zinc/21/17/37/751211737.db2.gz FEGNBNJYXCOQRK-KGLIPLIRSA-N 2 1 307.394 0.692 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099584976 752466520 /nfs/dbraw/zinc/46/65/20/752466520.db2.gz HTZFWOZQGGDXPV-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099584976 752466522 /nfs/dbraw/zinc/46/65/22/752466522.db2.gz HTZFWOZQGGDXPV-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]C(C)C)C1 ZINC001078413017 753231629 /nfs/dbraw/zinc/23/16/29/753231629.db2.gz MTXGOTJLIJQWRD-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]C(C)C)C1 ZINC001078413017 753231632 /nfs/dbraw/zinc/23/16/32/753231632.db2.gz MTXGOTJLIJQWRD-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696918 753881179 /nfs/dbraw/zinc/88/11/79/753881179.db2.gz XXADVPBGKBFTOY-QGZVFWFLSA-N 2 1 317.437 0.662 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047384327 754231801 /nfs/dbraw/zinc/23/18/01/754231801.db2.gz WJMNDLNKQLOQPI-JYJNAYRXSA-N 2 1 307.438 0.408 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047408933 754256265 /nfs/dbraw/zinc/25/62/65/754256265.db2.gz KCASTXCYOFOGEL-ULQDDVLXSA-N 2 1 321.465 0.776 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047408933 754256269 /nfs/dbraw/zinc/25/62/69/754256269.db2.gz KCASTXCYOFOGEL-ULQDDVLXSA-N 2 1 321.465 0.776 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047408933 754256276 /nfs/dbraw/zinc/25/62/76/754256276.db2.gz KCASTXCYOFOGEL-ULQDDVLXSA-N 2 1 321.465 0.776 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047408932 754257258 /nfs/dbraw/zinc/25/72/58/754257258.db2.gz KCASTXCYOFOGEL-IKGGRYGDSA-N 2 1 321.465 0.776 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047408932 754257262 /nfs/dbraw/zinc/25/72/62/754257262.db2.gz KCASTXCYOFOGEL-IKGGRYGDSA-N 2 1 321.465 0.776 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047408932 754257265 /nfs/dbraw/zinc/25/72/65/754257265.db2.gz KCASTXCYOFOGEL-IKGGRYGDSA-N 2 1 321.465 0.776 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128782782 754282663 /nfs/dbraw/zinc/28/26/63/754282663.db2.gz BRGOJRJFNAYGAL-ZIAGYGMSSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047442501 754286963 /nfs/dbraw/zinc/28/69/63/754286963.db2.gz FLMVTCYYAAHPAX-GJZGRUSLSA-N 2 1 305.422 0.142 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001048514317 754785132 /nfs/dbraw/zinc/78/51/32/754785132.db2.gz DMIUDRUHHKPPNI-QKPAOTATSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001048514317 754785136 /nfs/dbraw/zinc/78/51/36/754785136.db2.gz DMIUDRUHHKPPNI-QKPAOTATSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048514317 754785141 /nfs/dbraw/zinc/78/51/41/754785141.db2.gz DMIUDRUHHKPPNI-QKPAOTATSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048514317 754785145 /nfs/dbraw/zinc/78/51/45/754785145.db2.gz DMIUDRUHHKPPNI-QKPAOTATSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001048514316 754785490 /nfs/dbraw/zinc/78/54/90/754785490.db2.gz DMIUDRUHHKPPNI-FZKCQIBNSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001048514316 754785493 /nfs/dbraw/zinc/78/54/93/754785493.db2.gz DMIUDRUHHKPPNI-FZKCQIBNSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048514316 754785496 /nfs/dbraw/zinc/78/54/96/754785496.db2.gz DMIUDRUHHKPPNI-FZKCQIBNSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048514316 754785497 /nfs/dbraw/zinc/78/54/97/754785497.db2.gz DMIUDRUHHKPPNI-FZKCQIBNSA-N 2 1 305.422 0.309 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862605 754984891 /nfs/dbraw/zinc/98/48/91/754984891.db2.gz YMUYIUGPJJIAKW-OWCLPIDISA-N 2 1 317.437 0.390 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862605 754984895 /nfs/dbraw/zinc/98/48/95/754984895.db2.gz YMUYIUGPJJIAKW-OWCLPIDISA-N 2 1 317.437 0.390 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789733 755400937 /nfs/dbraw/zinc/40/09/37/755400937.db2.gz FOVIQUUKHUNGGQ-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789733 755400941 /nfs/dbraw/zinc/40/09/41/755400941.db2.gz FOVIQUUKHUNGGQ-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353327 755655763 /nfs/dbraw/zinc/65/57/63/755655763.db2.gz BDMHNJSAGSAIMT-JKSUJKDBSA-N 2 1 321.465 0.990 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848320 756842284 /nfs/dbraw/zinc/84/22/84/756842284.db2.gz YMVCBXAEWKQUQD-KBUPBQIOSA-N 2 1 311.426 0.097 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848320 756842289 /nfs/dbraw/zinc/84/22/89/756842289.db2.gz YMVCBXAEWKQUQD-KBUPBQIOSA-N 2 1 311.426 0.097 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848320 756842297 /nfs/dbraw/zinc/84/22/97/756842297.db2.gz YMVCBXAEWKQUQD-KBUPBQIOSA-N 2 1 311.426 0.097 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848320 756842301 /nfs/dbraw/zinc/84/23/01/756842301.db2.gz YMVCBXAEWKQUQD-KBUPBQIOSA-N 2 1 311.426 0.097 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082202061 756975512 /nfs/dbraw/zinc/97/55/12/756975512.db2.gz CSGGQHKNBNTQKA-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052029830 759129313 /nfs/dbraw/zinc/12/93/13/759129313.db2.gz CFDUSBBDQMXCDR-BRWVUGGUSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052029830 759129318 /nfs/dbraw/zinc/12/93/18/759129318.db2.gz CFDUSBBDQMXCDR-BRWVUGGUSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052029830 759129319 /nfs/dbraw/zinc/12/93/19/759129319.db2.gz CFDUSBBDQMXCDR-BRWVUGGUSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052029830 759129322 /nfs/dbraw/zinc/12/93/22/759129322.db2.gz CFDUSBBDQMXCDR-BRWVUGGUSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109144 759185540 /nfs/dbraw/zinc/18/55/40/759185540.db2.gz XERMGOIYBVUFGO-INIZCTEOSA-N 2 1 318.465 0.487 20 30 DCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386543 761316812 /nfs/dbraw/zinc/31/68/12/761316812.db2.gz MTQDQNUMFJLECJ-HUUCEWRRSA-N 2 1 307.442 0.874 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001070973180 761550541 /nfs/dbraw/zinc/55/05/41/761550541.db2.gz FUCHULIIMFEEDV-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001070973180 761550547 /nfs/dbraw/zinc/55/05/47/761550547.db2.gz FUCHULIIMFEEDV-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090434818 761666201 /nfs/dbraw/zinc/66/62/01/761666201.db2.gz BRYWFOZGHFEOGH-HZPDHXFCSA-N 2 1 312.373 0.523 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090434818 761666208 /nfs/dbraw/zinc/66/62/08/761666208.db2.gz BRYWFOZGHFEOGH-HZPDHXFCSA-N 2 1 312.373 0.523 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001071175822 761684298 /nfs/dbraw/zinc/68/42/98/761684298.db2.gz LRGRSLKESKWJSK-CRAIPNDOSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071175822 761684303 /nfs/dbraw/zinc/68/43/03/761684303.db2.gz LRGRSLKESKWJSK-CRAIPNDOSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071175822 761684307 /nfs/dbraw/zinc/68/43/07/761684307.db2.gz LRGRSLKESKWJSK-CRAIPNDOSA-N 2 1 319.449 0.796 20 30 DCEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227225 761724456 /nfs/dbraw/zinc/72/44/56/761724456.db2.gz BEBRBZCLTBPNLP-YJBOKZPZSA-N 2 1 319.449 0.960 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466209 762808714 /nfs/dbraw/zinc/80/87/14/762808714.db2.gz MNDPPKQINREZAE-OAGGEKHMSA-N 2 1 307.438 0.698 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466209 762808724 /nfs/dbraw/zinc/80/87/24/762808724.db2.gz MNDPPKQINREZAE-OAGGEKHMSA-N 2 1 307.438 0.698 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111466209 762808730 /nfs/dbraw/zinc/80/87/30/762808730.db2.gz MNDPPKQINREZAE-OAGGEKHMSA-N 2 1 307.438 0.698 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111466209 762808735 /nfs/dbraw/zinc/80/87/35/762808735.db2.gz MNDPPKQINREZAE-OAGGEKHMSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1scnc1C ZINC001129770880 763008394 /nfs/dbraw/zinc/00/83/94/763008394.db2.gz MPRCOECCENAVCX-AWEZNQCLSA-N 2 1 320.462 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1scnc1C ZINC001129770880 763008398 /nfs/dbraw/zinc/00/83/98/763008398.db2.gz MPRCOECCENAVCX-AWEZNQCLSA-N 2 1 320.462 0.797 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930562 763136889 /nfs/dbraw/zinc/13/68/89/763136889.db2.gz IILIRRIHJIGDHA-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930562 763136890 /nfs/dbraw/zinc/13/68/90/763136890.db2.gz IILIRRIHJIGDHA-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930562 763136891 /nfs/dbraw/zinc/13/68/91/763136891.db2.gz IILIRRIHJIGDHA-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930562 763136893 /nfs/dbraw/zinc/13/68/93/763136893.db2.gz IILIRRIHJIGDHA-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130303937 763223243 /nfs/dbraw/zinc/22/32/43/763223243.db2.gz OLWTVWQQTGJXHY-HNNXBMFYSA-N 2 1 322.453 0.377 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130708435 763455252 /nfs/dbraw/zinc/45/52/52/763455252.db2.gz POMASPDYJQLMQY-GOEBONIOSA-N 2 1 317.437 0.279 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131691933 763951637 /nfs/dbraw/zinc/95/16/37/763951637.db2.gz BRBFLFHXBKNEHG-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132265493 764343621 /nfs/dbraw/zinc/34/36/21/764343621.db2.gz NUTWQQBTBUCNEO-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132265493 764343626 /nfs/dbraw/zinc/34/36/26/764343626.db2.gz NUTWQQBTBUCNEO-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098478865 764377373 /nfs/dbraw/zinc/37/73/73/764377373.db2.gz HVYBERRFPXAGHS-RDJZCZTQSA-N 2 1 321.465 0.493 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098478865 764377384 /nfs/dbraw/zinc/37/73/84/764377384.db2.gz HVYBERRFPXAGHS-RDJZCZTQSA-N 2 1 321.465 0.493 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001098478865 764377394 /nfs/dbraw/zinc/37/73/94/764377394.db2.gz HVYBERRFPXAGHS-RDJZCZTQSA-N 2 1 321.465 0.493 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850093 765183349 /nfs/dbraw/zinc/18/33/49/765183349.db2.gz IXHABWJXBYNKTH-HNNXBMFYSA-N 2 1 322.453 0.235 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033765 765243804 /nfs/dbraw/zinc/24/38/04/765243804.db2.gz GPUWLBLZOSTXLB-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033765 765243811 /nfs/dbraw/zinc/24/38/11/765243811.db2.gz GPUWLBLZOSTXLB-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCC)C[C@H]32)CC1 ZINC001115290429 765676902 /nfs/dbraw/zinc/67/69/02/765676902.db2.gz SRQTVFBJKZLUGG-FVQHAEBGSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115461972 765741137 /nfs/dbraw/zinc/74/11/37/765741137.db2.gz LRMWZRJXSGZEOX-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115461972 765741143 /nfs/dbraw/zinc/74/11/43/765741143.db2.gz LRMWZRJXSGZEOX-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP O=C(NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1N=CC=CC1=O ZINC001116467134 765873984 /nfs/dbraw/zinc/87/39/84/765873984.db2.gz SKTRNLVPVPIXOL-MMEFHMBZSA-N 2 1 304.394 0.729 20 30 DCEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135680716 766041419 /nfs/dbraw/zinc/04/14/19/766041419.db2.gz ZVLLTGBTUSMMQX-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086763201 766093008 /nfs/dbraw/zinc/09/30/08/766093008.db2.gz XPNXQESPCCPGTM-CLEAANHHSA-N 2 1 317.433 0.357 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nccc(C2C[NH2+]C2)n1 ZINC001171070820 766612562 /nfs/dbraw/zinc/61/25/62/766612562.db2.gz KHCMDQZXHGQGDC-ZDUSSCGKSA-N 2 1 319.409 0.802 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@]2(C)C1 ZINC001091565325 767468401 /nfs/dbraw/zinc/46/84/01/767468401.db2.gz KQFDYTSALSLYCY-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565325 767468406 /nfs/dbraw/zinc/46/84/06/767468406.db2.gz KQFDYTSALSLYCY-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565325 767468412 /nfs/dbraw/zinc/46/84/12/767468412.db2.gz KQFDYTSALSLYCY-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565325 767468415 /nfs/dbraw/zinc/46/84/15/767468415.db2.gz KQFDYTSALSLYCY-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565325 767468419 /nfs/dbraw/zinc/46/84/19/767468419.db2.gz KQFDYTSALSLYCY-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CCN1CCC2(CN(C(=O)CCc3ncc[nH]3)C2)C1 ZINC001147455233 767758844 /nfs/dbraw/zinc/75/88/44/767758844.db2.gz FGLXVZFWMRBWBM-UHFFFAOYSA-N 2 1 316.405 0.526 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417403 769090065 /nfs/dbraw/zinc/09/00/65/769090065.db2.gz KEFKZRAQXGXLSN-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417403 769090076 /nfs/dbraw/zinc/09/00/76/769090076.db2.gz KEFKZRAQXGXLSN-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150596040 769134626 /nfs/dbraw/zinc/13/46/26/769134626.db2.gz HBTFNDMABVGLPC-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150596040 769134628 /nfs/dbraw/zinc/13/46/28/769134628.db2.gz HBTFNDMABVGLPC-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150596040 769134630 /nfs/dbraw/zinc/13/46/30/769134630.db2.gz HBTFNDMABVGLPC-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150796594 769188373 /nfs/dbraw/zinc/18/83/73/769188373.db2.gz WBLBOYNSUSOYIF-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150796594 769188378 /nfs/dbraw/zinc/18/83/78/769188378.db2.gz WBLBOYNSUSOYIF-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001151749082 769413218 /nfs/dbraw/zinc/41/32/18/769413218.db2.gz NVBVYVMTKUQTEZ-QGZVFWFLSA-N 2 1 315.417 0.465 20 30 DCEDMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001151749082 769413226 /nfs/dbraw/zinc/41/32/26/769413226.db2.gz NVBVYVMTKUQTEZ-QGZVFWFLSA-N 2 1 315.417 0.465 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154381754 770162441 /nfs/dbraw/zinc/16/24/41/770162441.db2.gz STNJJDDXMMWNFN-CTMQZQKCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155829697 770633397 /nfs/dbraw/zinc/63/33/97/770633397.db2.gz OJHIWKLZVFKJID-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155829697 770633402 /nfs/dbraw/zinc/63/34/02/770633402.db2.gz OJHIWKLZVFKJID-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001179396755 770996658 /nfs/dbraw/zinc/99/66/58/770996658.db2.gz UYWMMRKBDLIANF-HRCADAONSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001179396755 770996660 /nfs/dbraw/zinc/99/66/60/770996660.db2.gz UYWMMRKBDLIANF-HRCADAONSA-N 2 1 307.438 0.698 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179924680 771034786 /nfs/dbraw/zinc/03/47/86/771034786.db2.gz DWRPFGVPESTMNN-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001179983353 771043718 /nfs/dbraw/zinc/04/37/18/771043718.db2.gz XOSADTORMJNILF-KKUMJFAQSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001159356176 771900687 /nfs/dbraw/zinc/90/06/87/771900687.db2.gz UQYZOFKZFIDNFD-LSDHHAIUSA-N 2 1 324.469 0.647 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185294645 771901369 /nfs/dbraw/zinc/90/13/69/771901369.db2.gz RCYQJLNHUMOLHB-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCCC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159883650 771972270 /nfs/dbraw/zinc/97/22/70/771972270.db2.gz UVIYLKZZTWRYLJ-HNNXBMFYSA-N 2 1 307.442 0.875 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1snnc1C ZINC001160209548 772008977 /nfs/dbraw/zinc/00/89/77/772008977.db2.gz PXDRJNXJWLUKEG-ZDUSSCGKSA-N 2 1 321.450 0.540 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1snnc1C ZINC001160209548 772008984 /nfs/dbraw/zinc/00/89/84/772008984.db2.gz PXDRJNXJWLUKEG-ZDUSSCGKSA-N 2 1 321.450 0.540 20 30 DCEDMP CCc1nc(C#N)c(C#N)nc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160521368 772057674 /nfs/dbraw/zinc/05/76/74/772057674.db2.gz ZTKMONZZNQPLFZ-MRXNPFEDSA-N 2 1 311.393 0.617 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC12CCOCC2 ZINC001186552716 772060041 /nfs/dbraw/zinc/06/00/41/772060041.db2.gz KUSOCBKSDOLKJR-HZPDHXFCSA-N 2 1 321.465 0.969 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160862273 772127068 /nfs/dbraw/zinc/12/70/68/772127068.db2.gz KRVZFMRQDDGAGD-GJZGRUSLSA-N 2 1 322.453 0.401 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160870522 772129532 /nfs/dbraw/zinc/12/95/32/772129532.db2.gz YQMREYXPVGYBGS-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161878863 772293986 /nfs/dbraw/zinc/29/39/86/772293986.db2.gz DAWBEXLZRGXUTC-UHFFFAOYSA-N 2 1 319.449 0.870 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163821871 772578356 /nfs/dbraw/zinc/57/83/56/772578356.db2.gz RCOYYWCADVLVKY-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178357 772602570 /nfs/dbraw/zinc/60/25/70/772602570.db2.gz XSQQRIBSZVMJKT-JKSUJKDBSA-N 2 1 318.421 0.927 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178357 772602572 /nfs/dbraw/zinc/60/25/72/772602572.db2.gz XSQQRIBSZVMJKT-JKSUJKDBSA-N 2 1 318.421 0.927 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164596790 772686894 /nfs/dbraw/zinc/68/68/94/772686894.db2.gz RXDDUMCMEQDGTK-HOTGVXAUSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](C)OC)CC1 ZINC001165545170 772746161 /nfs/dbraw/zinc/74/61/61/772746161.db2.gz FIEBAQJILXHJCL-CVEARBPZSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](C)OC)CC1 ZINC001165545170 772746164 /nfs/dbraw/zinc/74/61/64/772746164.db2.gz FIEBAQJILXHJCL-CVEARBPZSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001166249042 772795964 /nfs/dbraw/zinc/79/59/64/772795964.db2.gz BARAJOWAHVDTJP-SWKXRBFHSA-N 2 1 317.433 0.359 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001166677125 772838219 /nfs/dbraw/zinc/83/82/19/772838219.db2.gz FVXYCLKVEVXFLX-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203505175 772909610 /nfs/dbraw/zinc/90/96/10/772909610.db2.gz BWUMVRBJLZPCQX-CVEARBPZSA-N 2 1 319.449 0.749 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001205526100 772998130 /nfs/dbraw/zinc/99/81/30/772998130.db2.gz DDOXOYTZGQCGER-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001206794522 773107685 /nfs/dbraw/zinc/10/76/85/773107685.db2.gz NZWMQEFNMDJZTE-UHFFFAOYSA-N 2 1 324.469 0.459 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC#CCOC)CC1 ZINC001206890417 773122115 /nfs/dbraw/zinc/12/21/15/773122115.db2.gz QOMOXQYQYNPUDO-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281675 773423086 /nfs/dbraw/zinc/42/30/86/773423086.db2.gz UHKWMHRUSRVQME-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281675 773423088 /nfs/dbraw/zinc/42/30/88/773423088.db2.gz UHKWMHRUSRVQME-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208330793 773436146 /nfs/dbraw/zinc/43/61/46/773436146.db2.gz FPRCXKMEYCFSDR-JKSUJKDBSA-N 2 1 317.437 0.417 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001196215428 773559378 /nfs/dbraw/zinc/55/93/78/773559378.db2.gz HOTJZLKSZUFRIP-INIZCTEOSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001196215428 773559384 /nfs/dbraw/zinc/55/93/84/773559384.db2.gz HOTJZLKSZUFRIP-INIZCTEOSA-N 2 1 309.454 0.757 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962796 773674989 /nfs/dbraw/zinc/67/49/89/773674989.db2.gz JJKGPHJPNFOCLI-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962796 773674992 /nfs/dbraw/zinc/67/49/92/773674992.db2.gz JJKGPHJPNFOCLI-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210145153 773677672 /nfs/dbraw/zinc/67/76/72/773677672.db2.gz FNGMKKIXJQHRPH-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197001323 773679385 /nfs/dbraw/zinc/67/93/85/773679385.db2.gz ZONVNKCVYYOIDU-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197001323 773679386 /nfs/dbraw/zinc/67/93/86/773679386.db2.gz ZONVNKCVYYOIDU-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197001323 773679387 /nfs/dbraw/zinc/67/93/87/773679387.db2.gz ZONVNKCVYYOIDU-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158925 773707393 /nfs/dbraw/zinc/70/73/93/773707393.db2.gz YQGMWGFMJMACON-HZPDHXFCSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158925 773707395 /nfs/dbraw/zinc/70/73/95/773707395.db2.gz YQGMWGFMJMACON-HZPDHXFCSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158925 773707397 /nfs/dbraw/zinc/70/73/97/773707397.db2.gz YQGMWGFMJMACON-HZPDHXFCSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210514622 773716287 /nfs/dbraw/zinc/71/62/87/773716287.db2.gz ZCTNSJVZGNFQHC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210514622 773716293 /nfs/dbraw/zinc/71/62/93/773716293.db2.gz ZCTNSJVZGNFQHC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210514622 773716296 /nfs/dbraw/zinc/71/62/96/773716296.db2.gz ZCTNSJVZGNFQHC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210514622 773716299 /nfs/dbraw/zinc/71/62/99/773716299.db2.gz ZCTNSJVZGNFQHC-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115152828 773997476 /nfs/dbraw/zinc/99/74/76/773997476.db2.gz WEMOXXGSNRJQPD-HALDLXJZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115152828 773997480 /nfs/dbraw/zinc/99/74/80/773997480.db2.gz WEMOXXGSNRJQPD-HALDLXJZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115152828 773997485 /nfs/dbraw/zinc/99/74/85/773997485.db2.gz WEMOXXGSNRJQPD-HALDLXJZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115152828 773997489 /nfs/dbraw/zinc/99/74/89/773997489.db2.gz WEMOXXGSNRJQPD-HALDLXJZSA-N 2 1 322.453 0.067 20 30 DCEDMP N#Cc1cnnc(-c2ccccc2)c1NC(=O)C[NH2+]CCC[NH3+] ZINC001218717634 774287814 /nfs/dbraw/zinc/28/78/14/774287814.db2.gz HBOZFWXAPWQRKL-UHFFFAOYSA-N 2 1 310.361 0.892 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479217 774360639 /nfs/dbraw/zinc/36/06/39/774360639.db2.gz OOHHRFJNTSYSCY-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC#CC)C1 ZINC001200721692 774397699 /nfs/dbraw/zinc/39/76/99/774397699.db2.gz NVBQMUAHELCDMK-IRXDYDNUSA-N 2 1 317.433 0.314 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC#CC)C1 ZINC001200721692 774397705 /nfs/dbraw/zinc/39/77/05/774397705.db2.gz NVBQMUAHELCDMK-IRXDYDNUSA-N 2 1 317.433 0.314 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246299 774470953 /nfs/dbraw/zinc/47/09/53/774470953.db2.gz RCRPGYOPZOXDCW-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCCO1 ZINC001201405074 774502043 /nfs/dbraw/zinc/50/20/43/774502043.db2.gz ZUYVKXQKCXOLOJ-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001219614016 774557751 /nfs/dbraw/zinc/55/77/51/774557751.db2.gz YQPGGXPGVLFEOP-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219614016 774557752 /nfs/dbraw/zinc/55/77/52/774557752.db2.gz YQPGGXPGVLFEOP-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219614016 774557755 /nfs/dbraw/zinc/55/77/55/774557755.db2.gz YQPGGXPGVLFEOP-PMPSAXMXSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230416 774740808 /nfs/dbraw/zinc/74/08/08/774740808.db2.gz DNVNITWOZINJIE-ZNMIVQPWSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114466050 774885057 /nfs/dbraw/zinc/88/50/57/774885057.db2.gz MSRYQIUXZIPEJS-ZSHCYNCHSA-N 2 1 319.449 0.415 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001115271345 775075910 /nfs/dbraw/zinc/07/59/10/775075910.db2.gz GVPSVAFOLHDTOB-XUWVNRHRSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001115271345 775075917 /nfs/dbraw/zinc/07/59/17/775075917.db2.gz GVPSVAFOLHDTOB-XUWVNRHRSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001115271345 775075924 /nfs/dbraw/zinc/07/59/24/775075924.db2.gz GVPSVAFOLHDTOB-XUWVNRHRSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001115271345 775075930 /nfs/dbraw/zinc/07/59/30/775075930.db2.gz GVPSVAFOLHDTOB-XUWVNRHRSA-N 2 1 307.438 0.720 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001223494876 775495398 /nfs/dbraw/zinc/49/53/98/775495398.db2.gz DTOPAJSIBNUPTJ-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cncn1C)C2 ZINC001111274555 775701249 /nfs/dbraw/zinc/70/12/49/775701249.db2.gz HRMRNHIIKIPBRP-BMFZPTHFSA-N 2 1 318.421 0.887 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745526 776093067 /nfs/dbraw/zinc/09/30/67/776093067.db2.gz BIXFOLLPXJEMOB-FICVDOATSA-N 2 1 305.422 0.024 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230091002 776249693 /nfs/dbraw/zinc/24/96/93/776249693.db2.gz RXGUYXOUJCLOKX-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230374119 776288781 /nfs/dbraw/zinc/28/87/81/776288781.db2.gz JPZPSPJKKKHJLE-AWEZNQCLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270500 777821404 /nfs/dbraw/zinc/82/14/04/777821404.db2.gz OWGRMEABTAVHRB-HOTGVXAUSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270500 777821414 /nfs/dbraw/zinc/82/14/14/777821414.db2.gz OWGRMEABTAVHRB-HOTGVXAUSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317655274 945146980 /nfs/dbraw/zinc/14/69/80/945146980.db2.gz PAEAVNQSQSRHAB-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC#C)C1 ZINC001266459235 939124575 /nfs/dbraw/zinc/12/45/75/939124575.db2.gz MEXGZALJROFVBI-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001266459235 939124576 /nfs/dbraw/zinc/12/45/76/939124576.db2.gz MEXGZALJROFVBI-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001266459235 939124579 /nfs/dbraw/zinc/12/45/79/939124579.db2.gz MEXGZALJROFVBI-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001266459235 939124580 /nfs/dbraw/zinc/12/45/80/939124580.db2.gz MEXGZALJROFVBI-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001266459235 939124582 /nfs/dbraw/zinc/12/45/82/939124582.db2.gz MEXGZALJROFVBI-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCC=C)C1 ZINC001266691166 939211018 /nfs/dbraw/zinc/21/10/18/939211018.db2.gz XGDCEFMJPCNKDK-XHSDSOJGSA-N 2 1 305.422 0.523 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCC=C)C1 ZINC001266691166 939211023 /nfs/dbraw/zinc/21/10/23/939211023.db2.gz XGDCEFMJPCNKDK-XHSDSOJGSA-N 2 1 305.422 0.523 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266879732 939264318 /nfs/dbraw/zinc/26/43/18/939264318.db2.gz XFLARRNFHMPRGF-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267020570 939312372 /nfs/dbraw/zinc/31/23/72/939312372.db2.gz JKGCHSIGIWOQJD-HNNXBMFYSA-N 2 1 311.426 0.102 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267113242 939348295 /nfs/dbraw/zinc/34/82/95/939348295.db2.gz HCICAPWWCUBXJM-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267113242 939348298 /nfs/dbraw/zinc/34/82/98/939348298.db2.gz HCICAPWWCUBXJM-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@H]2CCCOC2)CC1 ZINC001480950010 939469058 /nfs/dbraw/zinc/46/90/58/939469058.db2.gz CLRLIMHGLZTLNH-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001481019523 939524790 /nfs/dbraw/zinc/52/47/90/939524790.db2.gz VVZPSCGECVWWQX-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001481019523 939524791 /nfs/dbraw/zinc/52/47/91/939524791.db2.gz VVZPSCGECVWWQX-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001481019523 939524793 /nfs/dbraw/zinc/52/47/93/939524793.db2.gz VVZPSCGECVWWQX-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001481019523 939524794 /nfs/dbraw/zinc/52/47/94/939524794.db2.gz VVZPSCGECVWWQX-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](C(C)C)CC1 ZINC001267607279 939565449 /nfs/dbraw/zinc/56/54/49/939565449.db2.gz CAHNVODLVQKZCU-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](C(C)C)CC1 ZINC001267607279 939565453 /nfs/dbraw/zinc/56/54/53/939565453.db2.gz CAHNVODLVQKZCU-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001279738893 939615390 /nfs/dbraw/zinc/61/53/90/939615390.db2.gz YPZPSBFEWPLPNY-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267790148 939682898 /nfs/dbraw/zinc/68/28/98/939682898.db2.gz LBGZLUBBBWRHOR-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267790148 939682901 /nfs/dbraw/zinc/68/29/01/939682901.db2.gz LBGZLUBBBWRHOR-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001481330226 939750848 /nfs/dbraw/zinc/75/08/48/939750848.db2.gz OPCXDFFJUGVHJN-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001481330226 939750854 /nfs/dbraw/zinc/75/08/54/939750854.db2.gz OPCXDFFJUGVHJN-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001481440429 939792613 /nfs/dbraw/zinc/79/26/13/939792613.db2.gz ZJJZYHHYXIHEJN-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001268141677 939957464 /nfs/dbraw/zinc/95/74/64/939957464.db2.gz MPXLVNPLRHBJAT-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481692207 940044146 /nfs/dbraw/zinc/04/41/46/940044146.db2.gz AWWSOQHXCFLPPR-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481692207 940044149 /nfs/dbraw/zinc/04/41/49/940044149.db2.gz AWWSOQHXCFLPPR-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481692207 940044151 /nfs/dbraw/zinc/04/41/51/940044151.db2.gz AWWSOQHXCFLPPR-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481692207 940044154 /nfs/dbraw/zinc/04/41/54/940044154.db2.gz AWWSOQHXCFLPPR-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268307536 940046559 /nfs/dbraw/zinc/04/65/59/940046559.db2.gz HGGNUZSSEBZNGC-JKSUJKDBSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001481971322 940198183 /nfs/dbraw/zinc/19/81/83/940198183.db2.gz FVHMUYKTXNQWMQ-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001481971322 940198181 /nfs/dbraw/zinc/19/81/81/940198181.db2.gz FVHMUYKTXNQWMQ-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H]2CCCO2)CC1 ZINC001269428124 940705405 /nfs/dbraw/zinc/70/54/05/940705405.db2.gz HYKQTCJNWLFGIY-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H]2CCCO2)CC1 ZINC001269428124 940705410 /nfs/dbraw/zinc/70/54/10/940705410.db2.gz HYKQTCJNWLFGIY-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001284518449 940714308 /nfs/dbraw/zinc/71/43/08/940714308.db2.gz CFCOAVYZDOVNBQ-JKSUJKDBSA-N 2 1 309.454 0.491 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001270497061 940911056 /nfs/dbraw/zinc/91/10/56/940911056.db2.gz SSOAQAJVZCUQDW-KKUMJFAQSA-N 2 1 324.469 0.361 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCOC)C1 ZINC001270737128 940978240 /nfs/dbraw/zinc/97/82/40/940978240.db2.gz GKRPTAQBAVDTJU-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCOC)C1 ZINC001270737128 940978245 /nfs/dbraw/zinc/97/82/45/940978245.db2.gz GKRPTAQBAVDTJU-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001270925212 941225661 /nfs/dbraw/zinc/22/56/61/941225661.db2.gz AVRIVQLVBKZTLT-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271884557 941472761 /nfs/dbraw/zinc/47/27/61/941472761.db2.gz KGTIMDIKOLRKOZ-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001482564948 941507000 /nfs/dbraw/zinc/50/70/00/941507000.db2.gz IIFAPSCRZVRCON-HZPDHXFCSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001482761592 941659643 /nfs/dbraw/zinc/65/96/43/941659643.db2.gz JJCNXCVBMCFLKI-DLBZAZTESA-N 2 1 321.465 0.874 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001483349843 942289637 /nfs/dbraw/zinc/28/96/37/942289637.db2.gz KAIBMAHBUUULTL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001483349843 942289639 /nfs/dbraw/zinc/28/96/39/942289639.db2.gz KAIBMAHBUUULTL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483349843 942289641 /nfs/dbraw/zinc/28/96/41/942289641.db2.gz KAIBMAHBUUULTL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001483349843 942289643 /nfs/dbraw/zinc/28/96/43/942289643.db2.gz KAIBMAHBUUULTL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001272582918 942848688 /nfs/dbraw/zinc/84/86/88/942848688.db2.gz DCKYJNTWNGBLCJ-KRWDZBQOSA-N 2 1 317.433 0.445 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001272617571 942869752 /nfs/dbraw/zinc/86/97/52/942869752.db2.gz XIGOGTPUZBSNBU-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001483955490 943053246 /nfs/dbraw/zinc/05/32/46/943053246.db2.gz JIJXFMRWIDLGBK-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001483955491 943054090 /nfs/dbraw/zinc/05/40/90/943054090.db2.gz JIJXFMRWIDLGBK-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C1CC[NH+](CC)CC1 ZINC001483989833 943073653 /nfs/dbraw/zinc/07/36/53/943073653.db2.gz XMKJFDJKKOKPTC-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001484225372 943220705 /nfs/dbraw/zinc/22/07/05/943220705.db2.gz XIRQMCJUQPZDFL-MRXNPFEDSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001484691664 943511643 /nfs/dbraw/zinc/51/16/43/943511643.db2.gz QXDMALCFKJATFX-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001276791380 944299893 /nfs/dbraw/zinc/29/98/93/944299893.db2.gz UWMXLBIWPRSRIS-CABCVRRESA-N 2 1 304.394 0.420 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2cnc[nH]2)C1 ZINC001486114996 944573634 /nfs/dbraw/zinc/57/36/34/944573634.db2.gz PUCRKWHVUXBZIE-JSGCOSHPSA-N 2 1 319.409 0.224 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181465 944626778 /nfs/dbraw/zinc/62/67/78/944626778.db2.gz SUHYLRYQNOPDDN-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181465 944626780 /nfs/dbraw/zinc/62/67/80/944626780.db2.gz SUHYLRYQNOPDDN-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001486184131 944629761 /nfs/dbraw/zinc/62/97/61/944629761.db2.gz QLHFICVUTAEEGA-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001486184131 944629766 /nfs/dbraw/zinc/62/97/66/944629766.db2.gz QLHFICVUTAEEGA-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001277087907 944657313 /nfs/dbraw/zinc/65/73/13/944657313.db2.gz SVEMMDBYSDQKEY-APIJFGDWSA-N 2 1 322.453 0.113 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001486312175 944772541 /nfs/dbraw/zinc/77/25/41/944772541.db2.gz SCWJBKQZUPIHBV-GOEBONIOSA-N 2 1 318.421 0.186 20 30 DCEDMP C#CC[N@@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835768 944830330 /nfs/dbraw/zinc/83/03/30/944830330.db2.gz VOPZHSNTVYHETA-UHFFFAOYSA-N 2 1 302.422 0.975 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835768 944830332 /nfs/dbraw/zinc/83/03/32/944830332.db2.gz VOPZHSNTVYHETA-UHFFFAOYSA-N 2 1 302.422 0.975 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317300926 944909960 /nfs/dbraw/zinc/90/99/60/944909960.db2.gz LBXJTIROFOBDMI-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317525233 945022422 /nfs/dbraw/zinc/02/24/22/945022422.db2.gz FMDGQYRAGKFTGC-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001277899641 945029889 /nfs/dbraw/zinc/02/98/89/945029889.db2.gz FEXYYXHKQTTZDX-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001246302978 945381026 /nfs/dbraw/zinc/38/10/26/945381026.db2.gz GAAHEUOFMQWGMW-HIFRSBDPSA-N 2 1 323.437 0.956 20 30 DCEDMP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCN[C@H](C#N)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246683857 945459953 /nfs/dbraw/zinc/45/99/53/945459953.db2.gz UXYODPDRXYKMTN-JKQORVJESA-N 2 1 320.437 0.495 20 30 DCEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246822008 945499044 /nfs/dbraw/zinc/49/90/44/945499044.db2.gz QFYJFORLRVXDSD-INIZCTEOSA-N 2 1 315.465 0.574 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001319708591 945651321 /nfs/dbraw/zinc/65/13/21/945651321.db2.gz DSFCCBRWFVEENT-ZBFHGGJFSA-N 2 1 318.421 0.668 20 30 DCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001278582611 945667018 /nfs/dbraw/zinc/66/70/18/945667018.db2.gz NDVNRMDNYQSQJE-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001278582611 945667024 /nfs/dbraw/zinc/66/70/24/945667024.db2.gz NDVNRMDNYQSQJE-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001278599794 945675928 /nfs/dbraw/zinc/67/59/28/945675928.db2.gz BSKYCJIOAMTPLM-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278652912 945873735 /nfs/dbraw/zinc/87/37/35/945873735.db2.gz GRXJJZHZJNDDKK-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278652912 945873748 /nfs/dbraw/zinc/87/37/48/945873748.db2.gz GRXJJZHZJNDDKK-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278652912 945873754 /nfs/dbraw/zinc/87/37/54/945873754.db2.gz GRXJJZHZJNDDKK-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809345 946428222 /nfs/dbraw/zinc/42/82/22/946428222.db2.gz CLYRRMDOUJCHNA-INIZCTEOSA-N 2 1 306.410 0.746 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809345 946428227 /nfs/dbraw/zinc/42/82/27/946428227.db2.gz CLYRRMDOUJCHNA-INIZCTEOSA-N 2 1 306.410 0.746 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273298023 946446410 /nfs/dbraw/zinc/44/64/10/946446410.db2.gz HDJVPRADKTXJFO-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001324096728 947313547 /nfs/dbraw/zinc/31/35/47/947313547.db2.gz DKXDVLZGDUKHFE-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001261552382 947348647 /nfs/dbraw/zinc/34/86/47/947348647.db2.gz QISRCFUMDWEGES-STQMWFEESA-N 2 1 304.398 0.304 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001324456274 947431182 /nfs/dbraw/zinc/43/11/82/947431182.db2.gz UCZKJDBPDTZWJM-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001325142581 947676952 /nfs/dbraw/zinc/67/69/52/947676952.db2.gz VHTCYKYPMAYARR-KRWDZBQOSA-N 2 1 318.421 0.548 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001325142581 947676955 /nfs/dbraw/zinc/67/69/55/947676955.db2.gz VHTCYKYPMAYARR-KRWDZBQOSA-N 2 1 318.421 0.548 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C/C=C\Cl ZINC001326041304 948031121 /nfs/dbraw/zinc/03/11/21/948031121.db2.gz GNFJVGYZBBJAAG-SDQPKGBYSA-N 2 1 313.829 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C/C=C\Cl ZINC001326041304 948031131 /nfs/dbraw/zinc/03/11/31/948031131.db2.gz GNFJVGYZBBJAAG-SDQPKGBYSA-N 2 1 313.829 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H](C)O)CC1 ZINC001326522068 948187422 /nfs/dbraw/zinc/18/74/22/948187422.db2.gz QKDGUYULKKTKIK-VQHPVUNQSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H](C)O)CC1 ZINC001326522068 948187431 /nfs/dbraw/zinc/18/74/31/948187431.db2.gz QKDGUYULKKTKIK-VQHPVUNQSA-N 2 1 321.465 0.729 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001326760963 948270077 /nfs/dbraw/zinc/27/00/77/948270077.db2.gz YOWMIPUFVBLZFC-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001327173496 948412462 /nfs/dbraw/zinc/41/24/62/948412462.db2.gz RQBFMNZFKMMGGH-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001327173496 948412463 /nfs/dbraw/zinc/41/24/63/948412463.db2.gz RQBFMNZFKMMGGH-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001327173496 948412467 /nfs/dbraw/zinc/41/24/67/948412467.db2.gz RQBFMNZFKMMGGH-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001327564330 948552663 /nfs/dbraw/zinc/55/26/63/948552663.db2.gz QKEDNFSVSGHLAG-BFYDXBDKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001263820617 948766518 /nfs/dbraw/zinc/76/65/18/948766518.db2.gz CQVAVQARWJFJLG-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001328284086 948805093 /nfs/dbraw/zinc/80/50/93/948805093.db2.gz NYLUJCNSDCYILK-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001328284086 948805102 /nfs/dbraw/zinc/80/51/02/948805102.db2.gz NYLUJCNSDCYILK-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001328284086 948805121 /nfs/dbraw/zinc/80/51/21/948805121.db2.gz NYLUJCNSDCYILK-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1OCC ZINC001263966422 948820093 /nfs/dbraw/zinc/82/00/93/948820093.db2.gz IBNAMKYEHIFMBD-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264078921 948866372 /nfs/dbraw/zinc/86/63/72/948866372.db2.gz UKMBIAVURWLWMJ-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH2+]CC1CC(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001328927374 949203198 /nfs/dbraw/zinc/20/31/98/949203198.db2.gz KQPXBLDBJGRZEB-UHFFFAOYSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCOC)C1 ZINC001488915670 949332281 /nfs/dbraw/zinc/33/22/81/949332281.db2.gz GVEIQNRYFBBJIF-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCOC)C1 ZINC001488915670 949332299 /nfs/dbraw/zinc/33/22/99/949332299.db2.gz GVEIQNRYFBBJIF-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001489160896 949569376 /nfs/dbraw/zinc/56/93/76/949569376.db2.gz PICBRRYIBAWPKG-IRXDYDNUSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001489160896 949569391 /nfs/dbraw/zinc/56/93/91/949569391.db2.gz PICBRRYIBAWPKG-IRXDYDNUSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001489160896 949569406 /nfs/dbraw/zinc/56/94/06/949569406.db2.gz PICBRRYIBAWPKG-IRXDYDNUSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001490475001 950715373 /nfs/dbraw/zinc/71/53/73/950715373.db2.gz KBNZDVVOLQOVII-MRXNPFEDSA-N 2 1 308.470 0.474 20 30 DCEDMP Cc1[nH+]ccn1CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001330866027 950722024 /nfs/dbraw/zinc/72/20/24/950722024.db2.gz GBLIEZRVEPNRIK-BBBYJDLNSA-N 2 1 301.394 0.837 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001490567535 950888263 /nfs/dbraw/zinc/88/82/63/950888263.db2.gz SEMHQGXNAJMEPB-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001490567535 950888242 /nfs/dbraw/zinc/88/82/42/950888242.db2.gz SEMHQGXNAJMEPB-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCO)C1 ZINC001490768223 951092894 /nfs/dbraw/zinc/09/28/94/951092894.db2.gz ZTAVOSHFVQMPCB-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCO)C1 ZINC001490768223 951092906 /nfs/dbraw/zinc/09/29/06/951092906.db2.gz ZTAVOSHFVQMPCB-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCO)C1 ZINC001490768223 951092916 /nfs/dbraw/zinc/09/29/16/951092916.db2.gz ZTAVOSHFVQMPCB-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCO)C1 ZINC001490768223 951092929 /nfs/dbraw/zinc/09/29/29/951092929.db2.gz ZTAVOSHFVQMPCB-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001331786306 951317914 /nfs/dbraw/zinc/31/79/14/951317914.db2.gz BNUWKGPYIAYHPS-CJNGLKHVSA-N 2 1 313.417 0.289 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001275729040 952411333 /nfs/dbraw/zinc/41/13/33/952411333.db2.gz JKPOVHUIZQRCEX-ZFWWWQNUSA-N 2 1 322.453 0.032 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001283621486 954490010 /nfs/dbraw/zinc/49/00/10/954490010.db2.gz MDMQTUPJQWELMZ-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001283763267 954588562 /nfs/dbraw/zinc/58/85/62/954588562.db2.gz HDRBTUSJUXFWTD-ZBFHGGJFSA-N 2 1 307.438 0.483 20 30 DCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001283797686 954615315 /nfs/dbraw/zinc/61/53/15/954615315.db2.gz RFYXCHIADJWVAX-UONOGXRCSA-N 2 1 306.410 0.397 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001284448718 955103275 /nfs/dbraw/zinc/10/32/75/955103275.db2.gz RVLRRBPKFRIHBG-ZDUSSCGKSA-N 2 1 322.409 0.479 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001284520114 955153378 /nfs/dbraw/zinc/15/33/78/955153378.db2.gz OKWFWHYMURSCTL-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001284520114 955153379 /nfs/dbraw/zinc/15/33/79/955153379.db2.gz OKWFWHYMURSCTL-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001284520114 955153384 /nfs/dbraw/zinc/15/33/84/955153384.db2.gz OKWFWHYMURSCTL-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001284520114 955153388 /nfs/dbraw/zinc/15/33/88/955153388.db2.gz OKWFWHYMURSCTL-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001284520114 955153397 /nfs/dbraw/zinc/15/33/97/955153397.db2.gz OKWFWHYMURSCTL-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001316641000 955962076 /nfs/dbraw/zinc/96/20/76/955962076.db2.gz GCZOCAZQTGPJSJ-SHTZXODSSA-N 2 1 304.394 0.326 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001316736844 960105880 /nfs/dbraw/zinc/10/58/80/960105880.db2.gz CICMTWLOBJCSDH-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001316736844 960105886 /nfs/dbraw/zinc/10/58/86/960105886.db2.gz CICMTWLOBJCSDH-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](CC)CCO)C2)CC1 ZINC001316746312 960361378 /nfs/dbraw/zinc/36/13/78/960361378.db2.gz AKZRVKCWGZAEPR-QGZVFWFLSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001316749198 960361485 /nfs/dbraw/zinc/36/14/85/960361485.db2.gz SQFHBXKDVUHYEL-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001316749198 960361495 /nfs/dbraw/zinc/36/14/95/960361495.db2.gz SQFHBXKDVUHYEL-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316749198 960361500 /nfs/dbraw/zinc/36/15/00/960361500.db2.gz SQFHBXKDVUHYEL-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001502516012 1015950670 /nfs/dbraw/zinc/95/06/70/1015950670.db2.gz WTBOFHGVQZYVPY-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001502516012 1015950677 /nfs/dbraw/zinc/95/06/77/1015950677.db2.gz WTBOFHGVQZYVPY-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001502869398 1016110866 /nfs/dbraw/zinc/11/08/66/1016110866.db2.gz ODWXYBBORQVLRO-HNNXBMFYSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001503003910 1016145727 /nfs/dbraw/zinc/14/57/27/1016145727.db2.gz UFBXVABOARCHOU-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001507283687 1016215341 /nfs/dbraw/zinc/21/53/41/1016215341.db2.gz COAILZZHMRVWMX-KGLIPLIRSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001507320265 1016251361 /nfs/dbraw/zinc/25/13/61/1016251361.db2.gz WGAATJFDECIWJY-QWHCGFSZSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001507727949 1016556259 /nfs/dbraw/zinc/55/62/59/1016556259.db2.gz LEKBOJLCBYZUDZ-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001507727949 1016556269 /nfs/dbraw/zinc/55/62/69/1016556269.db2.gz LEKBOJLCBYZUDZ-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001507727949 1016556272 /nfs/dbraw/zinc/55/62/72/1016556272.db2.gz LEKBOJLCBYZUDZ-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C=C(Cl)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001403665293 1002304914 /nfs/dbraw/zinc/30/49/14/1002304914.db2.gz BYFJYXFLLLXLQR-QWHCGFSZSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001403665293 1002304940 /nfs/dbraw/zinc/30/49/40/1002304940.db2.gz BYFJYXFLLLXLQR-QWHCGFSZSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001423289070 1011049788 /nfs/dbraw/zinc/04/97/88/1011049788.db2.gz YNFPLWJHRZPOCG-AWEZNQCLSA-N 2 1 317.861 0.926 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001499366665 1017887163 /nfs/dbraw/zinc/88/71/63/1017887163.db2.gz CTOTWPPRHULZBQ-UHFFFAOYSA-N 2 1 318.421 0.895 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccnn1C ZINC001497210196 1017971615 /nfs/dbraw/zinc/97/16/15/1017971615.db2.gz ZFXUDEZIDNHTBC-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccnn1C ZINC001497210196 1017971625 /nfs/dbraw/zinc/97/16/25/1017971625.db2.gz ZFXUDEZIDNHTBC-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480080889 1018188710 /nfs/dbraw/zinc/18/87/10/1018188710.db2.gz ADEXMYOKNJGXCF-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480080889 1018188716 /nfs/dbraw/zinc/18/87/16/1018188716.db2.gz ADEXMYOKNJGXCF-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480080889 1018188721 /nfs/dbraw/zinc/18/87/21/1018188721.db2.gz ADEXMYOKNJGXCF-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001480088503 1018192441 /nfs/dbraw/zinc/19/24/41/1018192441.db2.gz ZGNGRRSUULBYKK-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001480088503 1018192451 /nfs/dbraw/zinc/19/24/51/1018192451.db2.gz ZGNGRRSUULBYKK-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001480088503 1018192455 /nfs/dbraw/zinc/19/24/55/1018192455.db2.gz ZGNGRRSUULBYKK-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001480088503 1018192484 /nfs/dbraw/zinc/19/24/84/1018192484.db2.gz ZGNGRRSUULBYKK-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001500076761 1018205879 /nfs/dbraw/zinc/20/58/79/1018205879.db2.gz KQBPACMYOMUPMN-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001500076761 1018205890 /nfs/dbraw/zinc/20/58/90/1018205890.db2.gz KQBPACMYOMUPMN-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500550936 1018491021 /nfs/dbraw/zinc/49/10/21/1018491021.db2.gz SFYUOQZRGKZNEC-AEFFLSMTSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500550936 1018491024 /nfs/dbraw/zinc/49/10/24/1018491024.db2.gz SFYUOQZRGKZNEC-AEFFLSMTSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500550936 1018491030 /nfs/dbraw/zinc/49/10/30/1018491030.db2.gz SFYUOQZRGKZNEC-AEFFLSMTSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001500700297 1018591161 /nfs/dbraw/zinc/59/11/61/1018591161.db2.gz ATHVRYTUSGTTNR-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001500700297 1018591175 /nfs/dbraw/zinc/59/11/75/1018591175.db2.gz ATHVRYTUSGTTNR-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001500718174 1018606255 /nfs/dbraw/zinc/60/62/55/1018606255.db2.gz OKJLLPUDGZTRPA-RHSMWYFYSA-N 2 1 318.421 0.493 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001500718174 1018606258 /nfs/dbraw/zinc/60/62/58/1018606258.db2.gz OKJLLPUDGZTRPA-RHSMWYFYSA-N 2 1 318.421 0.493 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498312334 1018936138 /nfs/dbraw/zinc/93/61/38/1018936138.db2.gz JFSYPAGMSIHYAQ-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498312334 1018936152 /nfs/dbraw/zinc/93/61/52/1018936152.db2.gz JFSYPAGMSIHYAQ-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001501285800 1019010860 /nfs/dbraw/zinc/01/08/60/1019010860.db2.gz KCLVDBBGBFJDCM-HNNXBMFYSA-N 2 1 306.454 0.132 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001501569030 1019298986 /nfs/dbraw/zinc/29/89/86/1019298986.db2.gz RNUYGEILXQXCIU-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001496824586 1019669899 /nfs/dbraw/zinc/66/98/99/1019669899.db2.gz ASPYOEVSDFRIRY-LSDHHAIUSA-N 2 1 324.469 0.101 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001496824586 1019669904 /nfs/dbraw/zinc/66/99/04/1019669904.db2.gz ASPYOEVSDFRIRY-LSDHHAIUSA-N 2 1 324.469 0.101 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001494060441 1019951630 /nfs/dbraw/zinc/95/16/30/1019951630.db2.gz HANNTEIPSDRQEE-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001494060441 1019951635 /nfs/dbraw/zinc/95/16/35/1019951635.db2.gz HANNTEIPSDRQEE-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001662919023 1174252144 /nfs/dbraw/zinc/25/21/44/1174252144.db2.gz NRXARFCHMNRNDR-MGPQQGTHSA-N 2 1 310.442 0.113 20 30 DCEDMP COc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1O ZINC000264311634 533432247 /nfs/dbraw/zinc/43/22/47/533432247.db2.gz UXGNDBACLLBKOG-UHFFFAOYSA-N 2 1 322.409 0.527 20 30 DCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000598721352 397284519 /nfs/dbraw/zinc/28/45/19/397284519.db2.gz VMTONIIXBWFBQL-KGLIPLIRSA-N 2 1 310.442 0.464 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000343308247 415548855 /nfs/dbraw/zinc/54/88/55/415548855.db2.gz LHPWUDIVRSZOAZ-UHFFFAOYSA-N 2 1 322.453 0.354 20 30 DCEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCN(c2ncccn2)CC1 ZINC000114067122 415721960 /nfs/dbraw/zinc/72/19/60/415721960.db2.gz LXUFEJSLGUURPY-CQSZACIVSA-N 2 1 317.441 0.268 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000329567819 416176481 /nfs/dbraw/zinc/17/64/81/416176481.db2.gz TWIYSDOSYQUTDD-GOEBONIOSA-N 2 1 324.469 0.916 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000329567819 416176484 /nfs/dbraw/zinc/17/64/84/416176484.db2.gz TWIYSDOSYQUTDD-GOEBONIOSA-N 2 1 324.469 0.916 20 30 DCEDMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000329760488 416188939 /nfs/dbraw/zinc/18/89/39/416188939.db2.gz QFJUHXFROJBWQK-VNQPRFMTSA-N 2 1 324.469 0.772 20 30 DCEDMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000329760488 416188944 /nfs/dbraw/zinc/18/89/44/416188944.db2.gz QFJUHXFROJBWQK-VNQPRFMTSA-N 2 1 324.469 0.772 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330516 416418744 /nfs/dbraw/zinc/41/87/44/416418744.db2.gz PZMCXCFMZJOWDF-MJBXVCDLSA-N 2 1 308.426 0.708 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000491662127 416612099 /nfs/dbraw/zinc/61/20/99/416612099.db2.gz LNTTXTIZLSOWQA-UHFFFAOYSA-N 2 1 310.442 0.352 20 30 DCEDMP CC(C)C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424141109 416616061 /nfs/dbraw/zinc/61/60/61/416616061.db2.gz WTZFTNKZVZGCEU-GJZGRUSLSA-N 2 1 310.442 0.871 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2COCC)CC1 ZINC000491757706 416622944 /nfs/dbraw/zinc/62/29/44/416622944.db2.gz FKBOTOKPDJFUGF-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCN1CCN(C(=O)CN2CCCC[C@@H]2COCC)CC1 ZINC000491757706 416622949 /nfs/dbraw/zinc/62/29/49/416622949.db2.gz FKBOTOKPDJFUGF-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000491810343 416632048 /nfs/dbraw/zinc/63/20/48/416632048.db2.gz ZGNWKFVLSDAQLD-QGZVFWFLSA-N 2 1 315.417 0.482 20 30 DCEDMP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000571699033 417451028 /nfs/dbraw/zinc/45/10/28/417451028.db2.gz WKVXCDICFJUADU-UHFFFAOYSA-N 2 1 310.442 0.573 20 30 DCEDMP C=CCCn1cc(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nn1 ZINC000657349158 417850443 /nfs/dbraw/zinc/85/04/43/417850443.db2.gz COLUHNADTGRXML-CQSZACIVSA-N 2 1 320.441 0.531 20 30 DCEDMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@H]1CCn2ccnc2C1 ZINC000330220185 336125749 /nfs/dbraw/zinc/12/57/49/336125749.db2.gz PZWRREQROTUNJE-HZSPNIEDSA-N 2 1 321.425 0.499 20 30 DCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)C[C@@H]1CCOC1 ZINC000261604014 337606427 /nfs/dbraw/zinc/60/64/27/337606427.db2.gz CXMKSCAILWRCLB-DZGCQCFKSA-N 2 1 314.499 0.967 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000491463988 339863092 /nfs/dbraw/zinc/86/30/92/339863092.db2.gz PLCCWDJPWAMGPD-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249412894 341397233 /nfs/dbraw/zinc/39/72/33/341397233.db2.gz FQNVKRWHDDNGJM-JYJNAYRXSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249412894 341397234 /nfs/dbraw/zinc/39/72/34/341397234.db2.gz FQNVKRWHDDNGJM-JYJNAYRXSA-N 2 1 309.454 0.851 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001447302971 1159612796 /nfs/dbraw/zinc/61/27/96/1159612796.db2.gz IVYJCEBXMLXVJW-ZDUSSCGKSA-N 2 1 303.834 0.898 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001566613006 1160092892 /nfs/dbraw/zinc/09/28/92/1160092892.db2.gz BUQREBITGDTXLY-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001566613006 1160092902 /nfs/dbraw/zinc/09/29/02/1160092902.db2.gz BUQREBITGDTXLY-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001567307999 1160304985 /nfs/dbraw/zinc/30/49/85/1160304985.db2.gz PRCWDEIHSNFYFZ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001567307999 1160304996 /nfs/dbraw/zinc/30/49/96/1160304996.db2.gz PRCWDEIHSNFYFZ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567307999 1160305003 /nfs/dbraw/zinc/30/50/03/1160305003.db2.gz PRCWDEIHSNFYFZ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001567307999 1160305010 /nfs/dbraw/zinc/30/50/10/1160305010.db2.gz PRCWDEIHSNFYFZ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001569775598 1161241691 /nfs/dbraw/zinc/24/16/91/1161241691.db2.gz HNWZYEVIBMAETO-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001569775598 1161241692 /nfs/dbraw/zinc/24/16/92/1161241692.db2.gz HNWZYEVIBMAETO-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C[NH+]=C(NCC1(CO)CCOCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262017265 526350627 /nfs/dbraw/zinc/35/06/27/526350627.db2.gz YBBNLFDCMCVLLU-UKRRQHHQSA-N 2 1 324.469 0.423 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)CCCC)CC1 ZINC000358123624 526417430 /nfs/dbraw/zinc/41/74/30/526417430.db2.gz GSKBYMORTCVXQF-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000366851487 526511689 /nfs/dbraw/zinc/51/16/89/526511689.db2.gz NKHFALHADOBSDX-IRXDYDNUSA-N 2 1 320.481 0.874 20 30 DCEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000185531004 527386229 /nfs/dbraw/zinc/38/62/29/527386229.db2.gz KWNPULSNMXIVFW-CHWSQXEVSA-N 2 1 309.458 0.643 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000267475318 529074598 /nfs/dbraw/zinc/07/45/98/529074598.db2.gz ZFMCDZLVSIJKIM-GFCCVEGCSA-N 2 1 307.446 0.375 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000264078888 529074859 /nfs/dbraw/zinc/07/48/59/529074859.db2.gz GTOPIFCCKIFQFD-CQSZACIVSA-N 2 1 303.410 0.674 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001673675678 1175221700 /nfs/dbraw/zinc/22/17/00/1175221700.db2.gz FRVMNVWPNDRPCA-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)C[C@H](C)O)C2)CC1 ZINC001027693570 660626128 /nfs/dbraw/zinc/62/61/28/660626128.db2.gz GAGXEKWZSJXFSF-RDJZCZTQSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H]2CCOC2)CC1 ZINC000981365697 661140229 /nfs/dbraw/zinc/14/02/29/661140229.db2.gz VYUKBXCFSQSRRA-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H]2CCOC2)CC1 ZINC000981365697 661140231 /nfs/dbraw/zinc/14/02/31/661140231.db2.gz VYUKBXCFSQSRRA-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000981365697 661140234 /nfs/dbraw/zinc/14/02/34/661140234.db2.gz VYUKBXCFSQSRRA-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000981365697 661140235 /nfs/dbraw/zinc/14/02/35/661140235.db2.gz VYUKBXCFSQSRRA-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028094276 661154070 /nfs/dbraw/zinc/15/40/70/661154070.db2.gz WJWKACRCKRMIDD-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028094276 661154071 /nfs/dbraw/zinc/15/40/71/661154071.db2.gz WJWKACRCKRMIDD-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028094276 661154073 /nfs/dbraw/zinc/15/40/73/661154073.db2.gz WJWKACRCKRMIDD-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000981447305 661154879 /nfs/dbraw/zinc/15/48/79/661154879.db2.gz RWQDIXOMYOODOR-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CC#CC[N@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000981447305 661154880 /nfs/dbraw/zinc/15/48/80/661154880.db2.gz RWQDIXOMYOODOR-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981784721 661216076 /nfs/dbraw/zinc/21/60/76/661216076.db2.gz PTAOWHVWRYWTHW-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981784721 661216077 /nfs/dbraw/zinc/21/60/77/661216077.db2.gz PTAOWHVWRYWTHW-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676642 657551763 /nfs/dbraw/zinc/55/17/63/657551763.db2.gz GDDUZPQMLXLFSY-GJZGRUSLSA-N 2 1 305.426 0.532 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676642 657551768 /nfs/dbraw/zinc/55/17/68/657551768.db2.gz GDDUZPQMLXLFSY-GJZGRUSLSA-N 2 1 305.426 0.532 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001023447345 657874562 /nfs/dbraw/zinc/87/45/62/657874562.db2.gz LMSLBWAANCUEGI-HUUCEWRRSA-N 2 1 300.406 0.907 20 30 DCEDMP CC#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638895 658140066 /nfs/dbraw/zinc/14/00/66/658140066.db2.gz OPSZIUYEHOQIKQ-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674775 658226190 /nfs/dbraw/zinc/22/61/90/658226190.db2.gz SLGBUYCHFGFZGX-QGZVFWFLSA-N 2 1 307.438 0.962 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001021904674 658638334 /nfs/dbraw/zinc/63/83/34/658638334.db2.gz BPHLZGKCHJWRRH-LXTVHRRPSA-N 2 1 320.437 0.104 20 30 DCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970192191 658720364 /nfs/dbraw/zinc/72/03/64/658720364.db2.gz YDEWCYMDJWKCRL-KKVZTGDRSA-N 2 1 305.422 0.472 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675618 665607436 /nfs/dbraw/zinc/60/74/36/665607436.db2.gz DZNYILSMUMZTGI-HOTGVXAUSA-N 2 1 315.421 0.367 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675618 665607437 /nfs/dbraw/zinc/60/74/37/665607437.db2.gz DZNYILSMUMZTGI-HOTGVXAUSA-N 2 1 315.421 0.367 20 30 DCEDMP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001026378174 659259860 /nfs/dbraw/zinc/25/98/60/659259860.db2.gz UMERZQJUFXWDPO-HRCADAONSA-N 2 1 307.438 0.721 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001027413956 659424911 /nfs/dbraw/zinc/42/49/11/659424911.db2.gz BQYDIOIFJTVLSH-OAHLLOKOSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001025630269 659496957 /nfs/dbraw/zinc/49/69/57/659496957.db2.gz RUFYTIXADGIGQW-RDJZCZTQSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974590532 659584205 /nfs/dbraw/zinc/58/42/05/659584205.db2.gz BHWQAFYGBJNKSF-HNNXBMFYSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974590532 659584208 /nfs/dbraw/zinc/58/42/08/659584208.db2.gz BHWQAFYGBJNKSF-HNNXBMFYSA-N 2 1 317.437 0.518 20 30 DCEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046866 665729824 /nfs/dbraw/zinc/72/98/24/665729824.db2.gz WREPQAYWMVUXGF-UKRRQHHQSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046866 665729826 /nfs/dbraw/zinc/72/98/26/665729826.db2.gz WREPQAYWMVUXGF-UKRRQHHQSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046866 665729827 /nfs/dbraw/zinc/72/98/27/665729827.db2.gz WREPQAYWMVUXGF-UKRRQHHQSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245953 661314449 /nfs/dbraw/zinc/31/44/49/661314449.db2.gz RSMOWIZVCJEDNI-BHYGNILZSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245953 661314451 /nfs/dbraw/zinc/31/44/51/661314451.db2.gz RSMOWIZVCJEDNI-BHYGNILZSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245953 661314453 /nfs/dbraw/zinc/31/44/53/661314453.db2.gz RSMOWIZVCJEDNI-BHYGNILZSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245953 661314455 /nfs/dbraw/zinc/31/44/55/661314455.db2.gz RSMOWIZVCJEDNI-BHYGNILZSA-N 2 1 307.438 0.673 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840491 665858946 /nfs/dbraw/zinc/85/89/46/665858946.db2.gz WNYPUALAKIZSNF-RBSFLKMASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840491 665858947 /nfs/dbraw/zinc/85/89/47/665858947.db2.gz WNYPUALAKIZSNF-RBSFLKMASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840491 665858949 /nfs/dbraw/zinc/85/89/49/665858949.db2.gz WNYPUALAKIZSNF-RBSFLKMASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840491 665858951 /nfs/dbraw/zinc/85/89/51/665858951.db2.gz WNYPUALAKIZSNF-RBSFLKMASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841906368 662341604 /nfs/dbraw/zinc/34/16/04/662341604.db2.gz AOXQVQXIHQBZSP-UHFFFAOYSA-N 2 1 302.422 0.942 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000989672840 662971117 /nfs/dbraw/zinc/97/11/17/662971117.db2.gz AQPLGSCXLPWRGP-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000989735240 662974905 /nfs/dbraw/zinc/97/49/05/662974905.db2.gz VFNPBUBTBSHIAF-UHFFFAOYSA-N 2 1 301.434 0.889 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900797935 663281001 /nfs/dbraw/zinc/28/10/01/663281001.db2.gz JLOWMEKIWYBDLY-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000975432 665969417 /nfs/dbraw/zinc/96/94/17/665969417.db2.gz IFRROHVMYVCJOQ-PQUAAJSLSA-N 2 1 317.433 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975432 665969420 /nfs/dbraw/zinc/96/94/20/665969420.db2.gz IFRROHVMYVCJOQ-PQUAAJSLSA-N 2 1 317.433 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975432 665969422 /nfs/dbraw/zinc/96/94/22/665969422.db2.gz IFRROHVMYVCJOQ-PQUAAJSLSA-N 2 1 317.433 0.784 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000941414617 665993722 /nfs/dbraw/zinc/99/37/22/665993722.db2.gz VVYNDHDJPQCWRQ-DLBZAZTESA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000941414617 665993723 /nfs/dbraw/zinc/99/37/23/665993723.db2.gz VVYNDHDJPQCWRQ-DLBZAZTESA-N 2 1 320.481 0.731 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993361027 664947171 /nfs/dbraw/zinc/94/71/71/664947171.db2.gz GNILLYQOCSDXGE-LSDHHAIUSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993361027 664947172 /nfs/dbraw/zinc/94/71/72/664947172.db2.gz GNILLYQOCSDXGE-LSDHHAIUSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000917829101 665146949 /nfs/dbraw/zinc/14/69/49/665146949.db2.gz MNOGRFPJJYUMIZ-INIZCTEOSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943516353 666290681 /nfs/dbraw/zinc/29/06/81/666290681.db2.gz MAURMJGUZVDAAV-HOCLYGCPSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000922630598 666498817 /nfs/dbraw/zinc/49/88/17/666498817.db2.gz QIEAVBPYAYZOEQ-UHFFFAOYSA-N 2 1 303.410 0.902 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCOC)C2)CC1 ZINC001034538560 667064756 /nfs/dbraw/zinc/06/47/56/667064756.db2.gz PNVVVVRHOBVIQN-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCOCC1 ZINC000863550882 667156436 /nfs/dbraw/zinc/15/64/36/667156436.db2.gz DSCQABQIIGHTBZ-HRCADAONSA-N 2 1 323.437 0.511 20 30 DCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCOCC1 ZINC000863550882 667156438 /nfs/dbraw/zinc/15/64/38/667156438.db2.gz DSCQABQIIGHTBZ-HRCADAONSA-N 2 1 323.437 0.511 20 30 DCEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997179350 667207918 /nfs/dbraw/zinc/20/79/18/667207918.db2.gz ZPIVMKGGVCUDTK-BFYDXBDKSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997179350 667207920 /nfs/dbraw/zinc/20/79/20/667207920.db2.gz ZPIVMKGGVCUDTK-BFYDXBDKSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035423393 667329459 /nfs/dbraw/zinc/32/94/59/667329459.db2.gz MIQZVVWGFHBBMS-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001035423393 667329460 /nfs/dbraw/zinc/32/94/60/667329460.db2.gz MIQZVVWGFHBBMS-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001035423393 667329462 /nfs/dbraw/zinc/32/94/62/667329462.db2.gz MIQZVVWGFHBBMS-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001035423393 667329464 /nfs/dbraw/zinc/32/94/64/667329464.db2.gz MIQZVVWGFHBBMS-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035423395 667329616 /nfs/dbraw/zinc/32/96/16/667329616.db2.gz MIQZVVWGFHBBMS-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001035423395 667329619 /nfs/dbraw/zinc/32/96/19/667329619.db2.gz MIQZVVWGFHBBMS-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001035423395 667329622 /nfs/dbraw/zinc/32/96/22/667329622.db2.gz MIQZVVWGFHBBMS-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001035423395 667329625 /nfs/dbraw/zinc/32/96/25/667329625.db2.gz MIQZVVWGFHBBMS-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001036095359 667424800 /nfs/dbraw/zinc/42/48/00/667424800.db2.gz LQFAAKYBHBOKNT-GXTWGEPZSA-N 2 1 304.394 0.810 20 30 DCEDMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884192990 667494672 /nfs/dbraw/zinc/49/46/72/667494672.db2.gz SQXNFMRFZWUOOP-GJEMEMOUSA-N 2 1 304.438 0.926 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000884197070 667495883 /nfs/dbraw/zinc/49/58/83/667495883.db2.gz JIEREPTYZZYKHS-HOCLYGCPSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000884197070 667495884 /nfs/dbraw/zinc/49/58/84/667495884.db2.gz JIEREPTYZZYKHS-HOCLYGCPSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000884217778 667502026 /nfs/dbraw/zinc/50/20/26/667502026.db2.gz WIJKKEYGFQSVPW-DZKIICNBSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000884217778 667502027 /nfs/dbraw/zinc/50/20/27/667502027.db2.gz WIJKKEYGFQSVPW-DZKIICNBSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000884217778 667502028 /nfs/dbraw/zinc/50/20/28/667502028.db2.gz WIJKKEYGFQSVPW-DZKIICNBSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000884217778 667502029 /nfs/dbraw/zinc/50/20/29/667502029.db2.gz WIJKKEYGFQSVPW-DZKIICNBSA-N 2 1 304.438 0.866 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000923329519 667506126 /nfs/dbraw/zinc/50/61/26/667506126.db2.gz VHUJODLMEIJSDX-JYJNAYRXSA-N 2 1 309.454 0.894 20 30 DCEDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884313868 667522136 /nfs/dbraw/zinc/52/21/36/667522136.db2.gz RICYMBXZRCZUNI-GWUWNPHMSA-N 2 1 304.438 0.924 20 30 DCEDMP C#CCN1CCC[C@@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000884373549 667533768 /nfs/dbraw/zinc/53/37/68/667533768.db2.gz PXNNTOXIFHYGIY-OAHLLOKOSA-N 2 1 308.426 0.106 20 30 DCEDMP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000886353191 667759041 /nfs/dbraw/zinc/75/90/41/667759041.db2.gz DFAKUXFOKMPBQU-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000886353191 667759042 /nfs/dbraw/zinc/75/90/42/667759042.db2.gz DFAKUXFOKMPBQU-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000886353191 667759043 /nfs/dbraw/zinc/75/90/43/667759043.db2.gz DFAKUXFOKMPBQU-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889775207 667995901 /nfs/dbraw/zinc/99/59/01/667995901.db2.gz UNMIXIAMIYIFNA-IRXDYDNUSA-N 2 1 319.449 0.389 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000876737028 668499341 /nfs/dbraw/zinc/49/93/41/668499341.db2.gz OHEBRSSLDJQWCE-AWEZNQCLSA-N 2 1 316.877 0.846 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)CC[C@H]21 ZINC001036902550 670270755 /nfs/dbraw/zinc/27/07/55/670270755.db2.gz MERPQXUMOIFURZ-ZWKOTPCHSA-N 2 1 313.445 0.888 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1CNC(NCCN1CCOCC1)=[NH+]C ZINC000849028001 670751452 /nfs/dbraw/zinc/75/14/52/670751452.db2.gz UVNJZYKZUYAZLY-HNNXBMFYSA-N 2 1 311.474 0.358 20 30 DCEDMP C[N@H+]1CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC000858136990 670974172 /nfs/dbraw/zinc/97/41/72/670974172.db2.gz BZMWRSXEYDFOOZ-XROPSADXSA-N 2 1 306.410 0.975 20 30 DCEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000852857204 671175740 /nfs/dbraw/zinc/17/57/40/671175740.db2.gz LWCISANPMCIXBZ-HUUCEWRRSA-N 2 1 321.465 0.993 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303881350 685208364 /nfs/dbraw/zinc/20/83/64/685208364.db2.gz KVCLVIOTZNQSDE-HOTGVXAUSA-N 3 1 324.517 0.259 20 30 DCEDMP C[C@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCS1 ZINC000305041201 685212932 /nfs/dbraw/zinc/21/29/32/685212932.db2.gz JSEJLKDRDHYLEJ-CQSZACIVSA-N 2 1 300.472 0.899 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717105 687870822 /nfs/dbraw/zinc/87/08/22/687870822.db2.gz PFBHXVWDNCGBAN-SJORKVTESA-N 2 1 315.417 0.404 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968408904 690255329 /nfs/dbraw/zinc/25/53/29/690255329.db2.gz HLTURZDLSIWZME-GDBMZVCRSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968408904 690255332 /nfs/dbraw/zinc/25/53/32/690255332.db2.gz HLTURZDLSIWZME-GDBMZVCRSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016554203 692719098 /nfs/dbraw/zinc/71/90/98/692719098.db2.gz XMBLUZQMLYKFQO-GJZGRUSLSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016554203 692719099 /nfs/dbraw/zinc/71/90/99/692719099.db2.gz XMBLUZQMLYKFQO-GJZGRUSLSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001018111188 693044368 /nfs/dbraw/zinc/04/43/68/693044368.db2.gz AOBFIEPPKNEOHK-IYBDPMFKSA-N 2 1 319.449 0.796 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001020028524 693654145 /nfs/dbraw/zinc/65/41/45/693654145.db2.gz BPHLZGKCHJWRRH-AJNGGQMLSA-N 2 1 320.437 0.104 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760947 694661614 /nfs/dbraw/zinc/66/16/14/694661614.db2.gz WGYHBRCYBMZVQM-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760947 694661616 /nfs/dbraw/zinc/66/16/16/694661616.db2.gz WGYHBRCYBMZVQM-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760947 694661617 /nfs/dbraw/zinc/66/16/17/694661617.db2.gz WGYHBRCYBMZVQM-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850270 694674620 /nfs/dbraw/zinc/67/46/20/694674620.db2.gz UMEDPTAUYCKQBQ-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850270 694674621 /nfs/dbraw/zinc/67/46/21/694674621.db2.gz UMEDPTAUYCKQBQ-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850270 694674622 /nfs/dbraw/zinc/67/46/22/694674622.db2.gz UMEDPTAUYCKQBQ-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850270 694674623 /nfs/dbraw/zinc/67/46/23/694674623.db2.gz UMEDPTAUYCKQBQ-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861508 694793595 /nfs/dbraw/zinc/79/35/95/694793595.db2.gz DNOCVEQVLPLVGT-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073896740 694797985 /nfs/dbraw/zinc/79/79/85/694797985.db2.gz ZVARRDMYXQWJEQ-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896740 694797986 /nfs/dbraw/zinc/79/79/86/694797986.db2.gz ZVARRDMYXQWJEQ-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896740 694797987 /nfs/dbraw/zinc/79/79/87/694797987.db2.gz ZVARRDMYXQWJEQ-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896740 694797988 /nfs/dbraw/zinc/79/79/88/694797988.db2.gz ZVARRDMYXQWJEQ-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC#C)CCCO2)CC1 ZINC001073898888 694798495 /nfs/dbraw/zinc/79/84/95/694798495.db2.gz FMNJJUVEQXQRPI-KRWDZBQOSA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC#C)CCCO2)CC1 ZINC001073898888 694798496 /nfs/dbraw/zinc/79/84/96/694798496.db2.gz FMNJJUVEQXQRPI-KRWDZBQOSA-N 2 1 317.433 0.172 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076589035 695030459 /nfs/dbraw/zinc/03/04/59/695030459.db2.gz PMWDENQUGPDNSV-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076589035 695030460 /nfs/dbraw/zinc/03/04/60/695030460.db2.gz PMWDENQUGPDNSV-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076589035 695030461 /nfs/dbraw/zinc/03/04/61/695030461.db2.gz PMWDENQUGPDNSV-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076589035 695030462 /nfs/dbraw/zinc/03/04/62/695030462.db2.gz PMWDENQUGPDNSV-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076987210 695118251 /nfs/dbraw/zinc/11/82/51/695118251.db2.gz GTICDSQTXFZQQF-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076987210 695118254 /nfs/dbraw/zinc/11/82/54/695118254.db2.gz GTICDSQTXFZQQF-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076987210 695118256 /nfs/dbraw/zinc/11/82/56/695118256.db2.gz GTICDSQTXFZQQF-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)[C@H](C)C1 ZINC001570446878 1162520149 /nfs/dbraw/zinc/52/01/49/1162520149.db2.gz ZTIZIKPMMKVNFY-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#CCOC)[C@H](C)C1 ZINC001570446878 1162520157 /nfs/dbraw/zinc/52/01/57/1162520157.db2.gz ZTIZIKPMMKVNFY-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)[C@H](C)C1 ZINC001570446878 1162520164 /nfs/dbraw/zinc/52/01/64/1162520164.db2.gz ZTIZIKPMMKVNFY-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001571565854 1162812053 /nfs/dbraw/zinc/81/20/53/1162812053.db2.gz HGQZKWMFVDQJPD-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC1(C)C ZINC001571564783 1162812307 /nfs/dbraw/zinc/81/23/07/1162812307.db2.gz KOXZGTOQLIKFPO-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001571600574 1162848003 /nfs/dbraw/zinc/84/80/03/1162848003.db2.gz VAFHVJSSRKQEBD-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001571600574 1162848017 /nfs/dbraw/zinc/84/80/17/1162848017.db2.gz VAFHVJSSRKQEBD-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001571600574 1162848025 /nfs/dbraw/zinc/84/80/25/1162848025.db2.gz VAFHVJSSRKQEBD-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001571600574 1162848033 /nfs/dbraw/zinc/84/80/33/1162848033.db2.gz VAFHVJSSRKQEBD-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001571607478 1162856804 /nfs/dbraw/zinc/85/68/04/1162856804.db2.gz KZSUZZJZOBTNOP-HNNXBMFYSA-N 2 1 313.442 0.036 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001571607478 1162856814 /nfs/dbraw/zinc/85/68/14/1162856814.db2.gz KZSUZZJZOBTNOP-HNNXBMFYSA-N 2 1 313.442 0.036 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCOC)C(C)C)CC1 ZINC001571642053 1162873195 /nfs/dbraw/zinc/87/31/95/1162873195.db2.gz DTVWMXSCUNZKHC-UHFFFAOYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691146245 1157595464 /nfs/dbraw/zinc/59/54/64/1157595464.db2.gz QJYYVCWOIAFNJP-HOCLYGCPSA-N 2 1 324.469 0.313 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cnn(C)c1 ZINC001691283859 1157629826 /nfs/dbraw/zinc/62/98/26/1157629826.db2.gz RKGSKZYFVJEYRZ-JKSUJKDBSA-N 2 1 317.437 0.279 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001691352523 1157651042 /nfs/dbraw/zinc/65/10/42/1157651042.db2.gz ZNVGYCPJCWEXGS-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1CC#CCOC ZINC001691488214 1157949478 /nfs/dbraw/zinc/94/94/78/1157949478.db2.gz LBMVEFNHNUCSHC-JKSUJKDBSA-N 2 1 318.421 0.810 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1CC#CCOC ZINC001691488214 1157949485 /nfs/dbraw/zinc/94/94/85/1157949485.db2.gz LBMVEFNHNUCSHC-JKSUJKDBSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494865259 1158910519 /nfs/dbraw/zinc/91/05/19/1158910519.db2.gz WFPWXZRGWSGASR-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494865259 1158910524 /nfs/dbraw/zinc/91/05/24/1158910524.db2.gz WFPWXZRGWSGASR-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494865259 1158910532 /nfs/dbraw/zinc/91/05/32/1158910532.db2.gz WFPWXZRGWSGASR-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494865259 1158910538 /nfs/dbraw/zinc/91/05/38/1158910538.db2.gz WFPWXZRGWSGASR-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494865259 1158910541 /nfs/dbraw/zinc/91/05/41/1158910541.db2.gz WFPWXZRGWSGASR-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691887343 1158915622 /nfs/dbraw/zinc/91/56/22/1158915622.db2.gz HLKOIHVSZPJMBB-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691887343 1158915629 /nfs/dbraw/zinc/91/56/29/1158915629.db2.gz HLKOIHVSZPJMBB-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691887343 1158915631 /nfs/dbraw/zinc/91/56/31/1158915631.db2.gz HLKOIHVSZPJMBB-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCOC)C1 ZINC001566872162 1160174103 /nfs/dbraw/zinc/17/41/03/1160174103.db2.gz SJKGUEMBFDXLRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCOC)C1 ZINC001566872162 1160174104 /nfs/dbraw/zinc/17/41/04/1160174104.db2.gz SJKGUEMBFDXLRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCOC)C1 ZINC001566872162 1160174106 /nfs/dbraw/zinc/17/41/06/1160174106.db2.gz SJKGUEMBFDXLRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCOC)C1 ZINC001566872162 1160174108 /nfs/dbraw/zinc/17/41/08/1160174108.db2.gz SJKGUEMBFDXLRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCOC)C1 ZINC001566872162 1160174110 /nfs/dbraw/zinc/17/41/10/1160174110.db2.gz SJKGUEMBFDXLRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001567307379 1160304055 /nfs/dbraw/zinc/30/40/55/1160304055.db2.gz XGXSLLWOTGHDOJ-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001567307379 1160304064 /nfs/dbraw/zinc/30/40/64/1160304064.db2.gz XGXSLLWOTGHDOJ-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001567307379 1160304068 /nfs/dbraw/zinc/30/40/68/1160304068.db2.gz XGXSLLWOTGHDOJ-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001567307379 1160304076 /nfs/dbraw/zinc/30/40/76/1160304076.db2.gz XGXSLLWOTGHDOJ-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC[C@H]1CCOC1 ZINC001567510660 1160402578 /nfs/dbraw/zinc/40/25/78/1160402578.db2.gz FVNUVNRYMKSSGT-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC[C@H]1CCOC1 ZINC001567510660 1160402583 /nfs/dbraw/zinc/40/25/83/1160402583.db2.gz FVNUVNRYMKSSGT-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001568205398 1160598915 /nfs/dbraw/zinc/59/89/15/1160598915.db2.gz MWHWOXFRKLSDAX-PBHICJAKSA-N 2 1 322.453 0.116 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001569526748 1161087127 /nfs/dbraw/zinc/08/71/27/1161087127.db2.gz LVBWGWRNCXVBMO-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001569757172 1161228357 /nfs/dbraw/zinc/22/83/57/1161228357.db2.gz CNQSQTWRLCZIFR-PBHICJAKSA-N 2 1 318.421 0.493 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001569757172 1161228363 /nfs/dbraw/zinc/22/83/63/1161228363.db2.gz CNQSQTWRLCZIFR-PBHICJAKSA-N 2 1 318.421 0.493 20 30 DCEDMP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569829339 1161279036 /nfs/dbraw/zinc/27/90/36/1161279036.db2.gz XHNPMTMHMQTMEO-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001569897915 1161306710 /nfs/dbraw/zinc/30/67/10/1161306710.db2.gz YDNOWAJRKJGFMT-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001569897915 1161306712 /nfs/dbraw/zinc/30/67/12/1161306712.db2.gz YDNOWAJRKJGFMT-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001570285836 1161543322 /nfs/dbraw/zinc/54/33/22/1161543322.db2.gz OFMRSYNDGQRKDY-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661016310 1174086257 /nfs/dbraw/zinc/08/62/57/1174086257.db2.gz YTLACLUZPBUNRC-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661016310 1174086264 /nfs/dbraw/zinc/08/62/64/1174086264.db2.gz YTLACLUZPBUNRC-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001662142730 1174182251 /nfs/dbraw/zinc/18/22/51/1174182251.db2.gz XBOFESXXQUBPLA-GPANFISMSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001662142730 1174182252 /nfs/dbraw/zinc/18/22/52/1174182252.db2.gz XBOFESXXQUBPLA-GPANFISMSA-N 2 1 307.438 0.747 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001662792114 1174242356 /nfs/dbraw/zinc/24/23/56/1174242356.db2.gz VIDJHLUQTYUMMN-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC[C@@H]1CCOC1 ZINC001663201365 1174275365 /nfs/dbraw/zinc/27/53/65/1174275365.db2.gz QQDUGDDVODVQJS-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC[C@@H]1CCOC1 ZINC001663201365 1174275372 /nfs/dbraw/zinc/27/53/72/1174275372.db2.gz QQDUGDDVODVQJS-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@@H]1CCOC1 ZINC001663201365 1174275381 /nfs/dbraw/zinc/27/53/81/1174275381.db2.gz QQDUGDDVODVQJS-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@@H]1CCOC1 ZINC001663201365 1174275388 /nfs/dbraw/zinc/27/53/88/1174275388.db2.gz QQDUGDDVODVQJS-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001663400843 1174295521 /nfs/dbraw/zinc/29/55/21/1174295521.db2.gz ZFCIXRVZDNOJHA-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001663400843 1174295529 /nfs/dbraw/zinc/29/55/29/1174295529.db2.gz ZFCIXRVZDNOJHA-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001663628416 1174336083 /nfs/dbraw/zinc/33/60/83/1174336083.db2.gz AIWREKBNEBQSMG-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001663645458 1174337987 /nfs/dbraw/zinc/33/79/87/1174337987.db2.gz VHOVIGYCBCNYQV-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001663645458 1174337993 /nfs/dbraw/zinc/33/79/93/1174337993.db2.gz VHOVIGYCBCNYQV-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001663645458 1174338001 /nfs/dbraw/zinc/33/80/01/1174338001.db2.gz VHOVIGYCBCNYQV-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001665304917 1174503760 /nfs/dbraw/zinc/50/37/60/1174503760.db2.gz AOLHBKFKFQXQBS-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H]2CCCCN2C)C1 ZINC001665304917 1174503764 /nfs/dbraw/zinc/50/37/64/1174503764.db2.gz AOLHBKFKFQXQBS-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCCO1 ZINC001668869070 1174852998 /nfs/dbraw/zinc/85/29/98/1174852998.db2.gz VOINXXDIYMZFDQ-FEFZKZJHSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCCO1 ZINC001668869070 1174853003 /nfs/dbraw/zinc/85/30/03/1174853003.db2.gz VOINXXDIYMZFDQ-FEFZKZJHSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCOCC1 ZINC001669826920 1174955646 /nfs/dbraw/zinc/95/56/46/1174955646.db2.gz QMGBDBNDORVHNC-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCOCC1 ZINC001669826920 1174955651 /nfs/dbraw/zinc/95/56/51/1174955651.db2.gz QMGBDBNDORVHNC-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCOCC1 ZINC001669826920 1174955654 /nfs/dbraw/zinc/95/56/54/1174955654.db2.gz QMGBDBNDORVHNC-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCOCC1 ZINC001669826920 1174955659 /nfs/dbraw/zinc/95/56/59/1174955659.db2.gz QMGBDBNDORVHNC-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001672503714 1175120660 /nfs/dbraw/zinc/12/06/60/1175120660.db2.gz PMLAOHMLPIAJMA-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001672503714 1175120666 /nfs/dbraw/zinc/12/06/66/1175120666.db2.gz PMLAOHMLPIAJMA-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001672663996 1175140482 /nfs/dbraw/zinc/14/04/82/1175140482.db2.gz DNAHNDZRNGFNTK-INIZCTEOSA-N 2 1 309.454 0.542 20 30 DCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001673335936 1175192666 /nfs/dbraw/zinc/19/26/66/1175192666.db2.gz AULMZNQTNCGNPO-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001673335935 1175192840 /nfs/dbraw/zinc/19/28/40/1175192840.db2.gz AULMZNQTNCGNPO-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001674324098 1175269806 /nfs/dbraw/zinc/26/98/06/1175269806.db2.gz ADBDCEAJZVZSSL-UHFFFAOYSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001676063945 1175417929 /nfs/dbraw/zinc/41/79/29/1175417929.db2.gz PUISIIMQZJDICP-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001676183100 1175427152 /nfs/dbraw/zinc/42/71/52/1175427152.db2.gz GJEXTBSKQZAACN-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC#CCOC)C1 ZINC001690614198 1177281842 /nfs/dbraw/zinc/28/18/42/1177281842.db2.gz FLSSDUNADCFEBQ-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CCCO)C2)CC1 ZINC001691999331 1177399551 /nfs/dbraw/zinc/39/95/51/1177399551.db2.gz RZTBHNSZOCYONP-INIZCTEOSA-N 2 1 321.465 0.494 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001699669760 1178246496 /nfs/dbraw/zinc/24/64/96/1178246496.db2.gz KVYRGGVCGPEUAO-ZIAGYGMSSA-N 2 1 322.453 0.257 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC#CCOC)C1 ZINC001699854524 1178319099 /nfs/dbraw/zinc/31/90/99/1178319099.db2.gz SPGNDJGKTSYTCD-KRWDZBQOSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001700001143 1178419884 /nfs/dbraw/zinc/41/98/84/1178419884.db2.gz FXIHEBQQCVTJBX-UXLLHSPISA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001700001143 1178419886 /nfs/dbraw/zinc/41/98/86/1178419886.db2.gz FXIHEBQQCVTJBX-UXLLHSPISA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001700001143 1178419887 /nfs/dbraw/zinc/41/98/87/1178419887.db2.gz FXIHEBQQCVTJBX-UXLLHSPISA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001700170430 1178514768 /nfs/dbraw/zinc/51/47/68/1178514768.db2.gz JZQIFBXEWAGRGS-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001700243701 1178551661 /nfs/dbraw/zinc/55/16/61/1178551661.db2.gz XKPOQAKHWRRJJX-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001700297122 1178570030 /nfs/dbraw/zinc/57/00/30/1178570030.db2.gz XPEXCJHJAKDZMZ-UHFFFAOYSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001700301391 1178572111 /nfs/dbraw/zinc/57/21/11/1178572111.db2.gz MPLKPSHJQCDXGH-OAHLLOKOSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001700358583 1178594738 /nfs/dbraw/zinc/59/47/38/1178594738.db2.gz YFZADIRXYSOSHZ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001700358583 1178594745 /nfs/dbraw/zinc/59/47/45/1178594745.db2.gz YFZADIRXYSOSHZ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001700597598 1178672915 /nfs/dbraw/zinc/67/29/15/1178672915.db2.gz VTMCUWNNTRCOBU-PHZGNYQRSA-N 2 1 316.405 0.135 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001700597598 1178672917 /nfs/dbraw/zinc/67/29/17/1178672917.db2.gz VTMCUWNNTRCOBU-PHZGNYQRSA-N 2 1 316.405 0.135 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001700753036 1178731613 /nfs/dbraw/zinc/73/16/13/1178731613.db2.gz SIGSJDNTJOCSSU-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001700788782 1178745281 /nfs/dbraw/zinc/74/52/81/1178745281.db2.gz APGYBXFVFSPDFI-HUUCEWRRSA-N 2 1 307.438 0.341 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001700824621 1178765273 /nfs/dbraw/zinc/76/52/73/1178765273.db2.gz XCKDLMWNSRJGRB-HUUCEWRRSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001700939790 1178816475 /nfs/dbraw/zinc/81/64/75/1178816475.db2.gz URBHPCFLRDJGPQ-IRXDYDNUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001700981904 1178859244 /nfs/dbraw/zinc/85/92/44/1178859244.db2.gz UKCHVZORJTUAGD-INIZCTEOSA-N 2 1 303.406 0.161 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001700981904 1178859255 /nfs/dbraw/zinc/85/92/55/1178859255.db2.gz UKCHVZORJTUAGD-INIZCTEOSA-N 2 1 303.406 0.161 20 30 DCEDMP C=CCC[NH+]1CCN(CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001713066479 1180659575 /nfs/dbraw/zinc/65/95/75/1180659575.db2.gz DFCZLHPDEILUCF-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C=CCC[NH+]1CCN(CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001713066479 1180659578 /nfs/dbraw/zinc/65/95/78/1180659578.db2.gz DFCZLHPDEILUCF-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001713667189 1181007632 /nfs/dbraw/zinc/00/76/32/1181007632.db2.gz BRPLOTSXZJEDQL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001713684919 1181014387 /nfs/dbraw/zinc/01/43/87/1181014387.db2.gz RNQJPFUBLITXPU-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001713684919 1181014391 /nfs/dbraw/zinc/01/43/91/1181014391.db2.gz RNQJPFUBLITXPU-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001713801523 1181077469 /nfs/dbraw/zinc/07/74/69/1181077469.db2.gz ODNCZRRFQKJPAO-UHFFFAOYSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713809023 1181084104 /nfs/dbraw/zinc/08/41/04/1181084104.db2.gz KZINVPJAOPXXFU-MRXNPFEDSA-N 2 1 308.470 0.781 20 30 DCEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001714115162 1181252252 /nfs/dbraw/zinc/25/22/52/1181252252.db2.gz LEAWDBOOTQQPIU-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001714115162 1181252258 /nfs/dbraw/zinc/25/22/58/1181252258.db2.gz LEAWDBOOTQQPIU-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#CCOC)CC[N@H+]1C ZINC001714392022 1181347781 /nfs/dbraw/zinc/34/77/81/1181347781.db2.gz YZYKNYHFHJBMGE-OWCLPIDISA-N 2 1 309.454 0.708 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714445289 1181367747 /nfs/dbraw/zinc/36/77/47/1181367747.db2.gz GSQVTVRXJYEEBV-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714445289 1181367753 /nfs/dbraw/zinc/36/77/53/1181367753.db2.gz GSQVTVRXJYEEBV-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001714906654 1181597176 /nfs/dbraw/zinc/59/71/76/1181597176.db2.gz BKALULBPNTYZGM-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001714906654 1181597187 /nfs/dbraw/zinc/59/71/87/1181597187.db2.gz BKALULBPNTYZGM-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001714906654 1181597192 /nfs/dbraw/zinc/59/71/92/1181597192.db2.gz BKALULBPNTYZGM-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001714906654 1181597197 /nfs/dbraw/zinc/59/71/97/1181597197.db2.gz BKALULBPNTYZGM-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001716092881 1182186509 /nfs/dbraw/zinc/18/65/09/1182186509.db2.gz FTKNWGXORPCAMN-OAHLLOKOSA-N 2 1 309.454 0.729 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1conc1C ZINC001716440669 1182391401 /nfs/dbraw/zinc/39/14/01/1182391401.db2.gz MLNQCQJKCGQTJD-WFASDCNBSA-N 2 1 304.394 0.675 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1conc1C ZINC001716440669 1182391402 /nfs/dbraw/zinc/39/14/02/1182391402.db2.gz MLNQCQJKCGQTJD-WFASDCNBSA-N 2 1 304.394 0.675 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001716770714 1182519252 /nfs/dbraw/zinc/51/92/52/1182519252.db2.gz MIGRXQHYXKROOI-GDBMZVCRSA-N 2 1 318.421 0.810 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001716971996 1182607248 /nfs/dbraw/zinc/60/72/48/1182607248.db2.gz UZSGJAZGPSSERQ-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001717051159 1182649585 /nfs/dbraw/zinc/64/95/85/1182649585.db2.gz WHYTUEQTOTXBIP-OAHLLOKOSA-N 2 1 321.425 0.387 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001717051159 1182649592 /nfs/dbraw/zinc/64/95/92/1182649592.db2.gz WHYTUEQTOTXBIP-OAHLLOKOSA-N 2 1 321.425 0.387 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001717254459 1182752276 /nfs/dbraw/zinc/75/22/76/1182752276.db2.gz IIRHZGXRKKWNRZ-MRXNPFEDSA-N 2 1 304.394 0.158 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001717393036 1182818741 /nfs/dbraw/zinc/81/87/41/1182818741.db2.gz OSWVVQWZQVLDSZ-HTWSVDAQSA-N 2 1 319.449 0.607 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001717520045 1182879715 /nfs/dbraw/zinc/87/97/15/1182879715.db2.gz BVXHMHKKMANQGO-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#CCOC)[C@H]1C ZINC001717861090 1183036391 /nfs/dbraw/zinc/03/63/91/1183036391.db2.gz SYSNTIZCZZGFPD-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#CCOC)[C@H]1C ZINC001717861090 1183036398 /nfs/dbraw/zinc/03/63/98/1183036398.db2.gz SYSNTIZCZZGFPD-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC#CCOC)[C@H]1C ZINC001717861090 1183036404 /nfs/dbraw/zinc/03/64/04/1183036404.db2.gz SYSNTIZCZZGFPD-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)[C@H]1C ZINC001717861090 1183036408 /nfs/dbraw/zinc/03/64/08/1183036408.db2.gz SYSNTIZCZZGFPD-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001717918384 1183059561 /nfs/dbraw/zinc/05/95/61/1183059561.db2.gz KQNHBZVYEIMGHP-HZPDHXFCSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001717939330 1183077049 /nfs/dbraw/zinc/07/70/49/1183077049.db2.gz FDMXJLSLJKEBNE-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001717939330 1183077054 /nfs/dbraw/zinc/07/70/54/1183077054.db2.gz FDMXJLSLJKEBNE-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001717939330 1183077060 /nfs/dbraw/zinc/07/70/60/1183077060.db2.gz FDMXJLSLJKEBNE-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001717989882 1183097482 /nfs/dbraw/zinc/09/74/82/1183097482.db2.gz LXBLKUOINPCLDA-YMAMQOFZSA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001717989882 1183097489 /nfs/dbraw/zinc/09/74/89/1183097489.db2.gz LXBLKUOINPCLDA-YMAMQOFZSA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722905335 1184229602 /nfs/dbraw/zinc/22/96/02/1184229602.db2.gz PSMLDRCSDJQIHN-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722905335 1184229608 /nfs/dbraw/zinc/22/96/08/1184229608.db2.gz PSMLDRCSDJQIHN-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001724224862 1184402509 /nfs/dbraw/zinc/40/25/09/1184402509.db2.gz KJQNBVKANXMDPT-MRXNPFEDSA-N 2 1 304.394 0.811 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001724430501 1184441171 /nfs/dbraw/zinc/44/11/71/1184441171.db2.gz NNSUZCUAPAZQHZ-GOSISDBHSA-N 2 1 315.417 0.305 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001724430501 1184441174 /nfs/dbraw/zinc/44/11/74/1184441174.db2.gz NNSUZCUAPAZQHZ-GOSISDBHSA-N 2 1 315.417 0.305 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001724430501 1184441179 /nfs/dbraw/zinc/44/11/79/1184441179.db2.gz NNSUZCUAPAZQHZ-GOSISDBHSA-N 2 1 315.417 0.305 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001724430501 1184441182 /nfs/dbraw/zinc/44/11/82/1184441182.db2.gz NNSUZCUAPAZQHZ-GOSISDBHSA-N 2 1 315.417 0.305 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001724625998 1184479854 /nfs/dbraw/zinc/47/98/54/1184479854.db2.gz ODGBAXBKENULCR-CALCHBBNSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001724641940 1184493046 /nfs/dbraw/zinc/49/30/46/1184493046.db2.gz QGEDUCLDQWXZTE-YQQAZPJKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001724641940 1184493049 /nfs/dbraw/zinc/49/30/49/1184493049.db2.gz QGEDUCLDQWXZTE-YQQAZPJKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001724641940 1184493050 /nfs/dbraw/zinc/49/30/50/1184493050.db2.gz QGEDUCLDQWXZTE-YQQAZPJKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCO1 ZINC001724814447 1184570425 /nfs/dbraw/zinc/57/04/25/1184570425.db2.gz CSMRRVVABJMUQK-GOEBONIOSA-N 2 1 318.421 0.757 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001724973364 1184639312 /nfs/dbraw/zinc/63/93/12/1184639312.db2.gz XATMCXGAZSSMNH-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001725320044 1184767576 /nfs/dbraw/zinc/76/75/76/1184767576.db2.gz BAXITBASARNWJY-GDBMZVCRSA-N 2 1 318.421 0.810 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725529065 1184861629 /nfs/dbraw/zinc/86/16/29/1184861629.db2.gz BGJVXCVIICPXCJ-JKSUJKDBSA-N 2 1 321.465 0.731 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725552879 1184880284 /nfs/dbraw/zinc/88/02/84/1184880284.db2.gz QPNQMZVZRQCAJJ-HOTGVXAUSA-N 2 1 303.406 0.379 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001725724351 1184974674 /nfs/dbraw/zinc/97/46/74/1184974674.db2.gz RTZCIFJHSOWDMQ-MRXNPFEDSA-N 2 1 320.437 0.746 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001725724351 1184974678 /nfs/dbraw/zinc/97/46/78/1184974678.db2.gz RTZCIFJHSOWDMQ-MRXNPFEDSA-N 2 1 320.437 0.746 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001732062874 1185653720 /nfs/dbraw/zinc/65/37/20/1185653720.db2.gz BBFJHHOHIPMDND-UHFFFAOYSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001732062874 1185653724 /nfs/dbraw/zinc/65/37/24/1185653724.db2.gz BBFJHHOHIPMDND-UHFFFAOYSA-N 2 1 320.481 0.570 20 30 DCEDMP COCC#CC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001732088368 1185665352 /nfs/dbraw/zinc/66/53/52/1185665352.db2.gz ULTXJYDADBEZMC-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732419357 1185810301 /nfs/dbraw/zinc/81/03/01/1185810301.db2.gz LRJLSOVWFUUKSI-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001732463444 1185827097 /nfs/dbraw/zinc/82/70/97/1185827097.db2.gz MIVYSMYKCDHRSW-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001732493616 1185835355 /nfs/dbraw/zinc/83/53/55/1185835355.db2.gz DPWPHXGXLJOTPL-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001732653424 1185898515 /nfs/dbraw/zinc/89/85/15/1185898515.db2.gz CODVDOZMKDUMOQ-GOEBONIOSA-N 2 1 320.437 0.787 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001732658453 1185902132 /nfs/dbraw/zinc/90/21/32/1185902132.db2.gz OVZCYKQTDGZWGK-SWLSCSKDSA-N 2 1 301.406 0.452 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001733594248 1186352007 /nfs/dbraw/zinc/35/20/07/1186352007.db2.gz WKATTWSWWDPNER-GOSISDBHSA-N 2 1 321.465 0.992 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCO1 ZINC001733745234 1186428701 /nfs/dbraw/zinc/42/87/01/1186428701.db2.gz ZTAXUAFCDSMZCZ-ZBFHGGJFSA-N 2 1 316.405 0.204 20 30 DCEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001733757368 1186434658 /nfs/dbraw/zinc/43/46/58/1186434658.db2.gz ILOXAMDXUUETCJ-OAHLLOKOSA-N 2 1 307.442 0.070 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCOCC1 ZINC001733828892 1186465671 /nfs/dbraw/zinc/46/56/71/1186465671.db2.gz MOCSFAZYEWFQEB-OAHLLOKOSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001733885190 1186485902 /nfs/dbraw/zinc/48/59/02/1186485902.db2.gz GSSUZNNJFQLZDP-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001733888161 1186487517 /nfs/dbraw/zinc/48/75/17/1186487517.db2.gz CTRBYZLUKGRUGO-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001734547443 1186687838 /nfs/dbraw/zinc/68/78/38/1186687838.db2.gz UASWPZSFCKVMTO-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001734547443 1186687835 /nfs/dbraw/zinc/68/78/35/1186687835.db2.gz UASWPZSFCKVMTO-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001734547443 1186687837 /nfs/dbraw/zinc/68/78/37/1186687837.db2.gz UASWPZSFCKVMTO-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001752775532 1188438369 /nfs/dbraw/zinc/43/83/69/1188438369.db2.gz NDQMKKYTPJQMJM-ZNMIVQPWSA-N 2 1 322.453 0.400 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001752997708 1188474413 /nfs/dbraw/zinc/47/44/13/1188474413.db2.gz XUYZPDHLTYCKEG-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001752997708 1188474416 /nfs/dbraw/zinc/47/44/16/1188474416.db2.gz XUYZPDHLTYCKEG-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001752997708 1188474419 /nfs/dbraw/zinc/47/44/19/1188474419.db2.gz XUYZPDHLTYCKEG-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001753163370 1188518925 /nfs/dbraw/zinc/51/89/25/1188518925.db2.gz XPGFDJXYKXUSPP-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001753163370 1188518926 /nfs/dbraw/zinc/51/89/26/1188518926.db2.gz XPGFDJXYKXUSPP-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001753163370 1188518933 /nfs/dbraw/zinc/51/89/33/1188518933.db2.gz XPGFDJXYKXUSPP-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753163370 1188518937 /nfs/dbraw/zinc/51/89/37/1188518937.db2.gz XPGFDJXYKXUSPP-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001753354669 1188571770 /nfs/dbraw/zinc/57/17/70/1188571770.db2.gz IQLSCFWTKXFHDL-CQSZACIVSA-N 2 1 310.442 0.021 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001753409306 1188586765 /nfs/dbraw/zinc/58/67/65/1188586765.db2.gz NOTLCUZDNZXDHP-CYBMUJFWSA-N 2 1 322.453 0.067 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753416078 1188588622 /nfs/dbraw/zinc/58/86/22/1188588622.db2.gz WQYOJZVEAIPMIA-QGZVFWFLSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001753902883 1188675481 /nfs/dbraw/zinc/67/54/81/1188675481.db2.gz TYAUXSWCQBCBEN-HZPDHXFCSA-N 2 1 318.421 0.716 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001754244659 1188797306 /nfs/dbraw/zinc/79/73/06/1188797306.db2.gz IUHGHSAYSLHQNO-ZIAGYGMSSA-N 2 1 324.469 0.197 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001754770064 1188931112 /nfs/dbraw/zinc/93/11/12/1188931112.db2.gz WGQZZZKMMCSVCI-HUUCEWRRSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001754770064 1188931113 /nfs/dbraw/zinc/93/11/13/1188931113.db2.gz WGQZZZKMMCSVCI-HUUCEWRRSA-N 2 1 307.438 0.742 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001754850559 1188948606 /nfs/dbraw/zinc/94/86/06/1188948606.db2.gz MQTNFZJZXKPLRN-OAHLLOKOSA-N 2 1 306.454 0.132 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001754857293 1188951333 /nfs/dbraw/zinc/95/13/33/1188951333.db2.gz DHSZKDWKYOPMSN-XYJFISCASA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001754857293 1188951334 /nfs/dbraw/zinc/95/13/34/1188951334.db2.gz DHSZKDWKYOPMSN-XYJFISCASA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001754857293 1188951336 /nfs/dbraw/zinc/95/13/36/1188951336.db2.gz DHSZKDWKYOPMSN-XYJFISCASA-N 2 1 321.465 0.683 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001755087732 1189017835 /nfs/dbraw/zinc/01/78/35/1189017835.db2.gz HBPZBIHTXUUUFX-ZOBUZTSGSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001755313102 1189076722 /nfs/dbraw/zinc/07/67/22/1189076722.db2.gz LKXAHTPYMWETFL-ZNMIVQPWSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001755313102 1189076724 /nfs/dbraw/zinc/07/67/24/1189076724.db2.gz LKXAHTPYMWETFL-ZNMIVQPWSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001755313102 1189076728 /nfs/dbraw/zinc/07/67/28/1189076728.db2.gz LKXAHTPYMWETFL-ZNMIVQPWSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001755313102 1189076732 /nfs/dbraw/zinc/07/67/32/1189076732.db2.gz LKXAHTPYMWETFL-ZNMIVQPWSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001755388338 1189099047 /nfs/dbraw/zinc/09/90/47/1189099047.db2.gz ZBNUEZGFMKSIJS-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001755473227 1189121488 /nfs/dbraw/zinc/12/14/88/1189121488.db2.gz JBWAMAOZEFTRLE-BZUAXINKSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416845 751381399 /nfs/dbraw/zinc/38/13/99/751381399.db2.gz RBZMMWYOTFOCLS-OWCLPIDISA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416845 751381403 /nfs/dbraw/zinc/38/14/03/751381403.db2.gz RBZMMWYOTFOCLS-OWCLPIDISA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416845 751381409 /nfs/dbraw/zinc/38/14/09/751381409.db2.gz RBZMMWYOTFOCLS-OWCLPIDISA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416845 751381414 /nfs/dbraw/zinc/38/14/14/751381414.db2.gz RBZMMWYOTFOCLS-OWCLPIDISA-N 2 1 321.465 0.946 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706545 751713086 /nfs/dbraw/zinc/71/30/86/751713086.db2.gz MNPBUFGEXNRYID-MELADBBJSA-N 2 1 310.442 0.113 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192573 746970330 /nfs/dbraw/zinc/97/03/30/746970330.db2.gz HGNZNJFFYIMZML-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192573 746970332 /nfs/dbraw/zinc/97/03/32/746970332.db2.gz HGNZNJFFYIMZML-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192573 746970337 /nfs/dbraw/zinc/97/03/37/746970337.db2.gz HGNZNJFFYIMZML-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192809 746971823 /nfs/dbraw/zinc/97/18/23/746971823.db2.gz PQVYWHKIJBRTNL-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192809 746971828 /nfs/dbraw/zinc/97/18/28/746971828.db2.gz PQVYWHKIJBRTNL-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192809 746971833 /nfs/dbraw/zinc/97/18/33/746971833.db2.gz PQVYWHKIJBRTNL-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192809 746971838 /nfs/dbraw/zinc/97/18/38/746971838.db2.gz PQVYWHKIJBRTNL-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP C=C(C)C(=O)NCCCNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001167666590 747465144 /nfs/dbraw/zinc/46/51/44/747465144.db2.gz SZNTWQYMPHAVAZ-UHFFFAOYSA-N 2 1 318.425 0.898 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794896 747932334 /nfs/dbraw/zinc/93/23/34/747932334.db2.gz INXFUCWQYOELAV-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C=C(C)C(=O)OCCNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001168069936 749314228 /nfs/dbraw/zinc/31/42/28/749314228.db2.gz AEUHSBQNICQXBN-UHFFFAOYSA-N 2 1 305.382 0.935 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001088335941 749380315 /nfs/dbraw/zinc/38/03/15/749380315.db2.gz QZOCCVGLEPUVGX-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001088335941 749380323 /nfs/dbraw/zinc/38/03/23/749380323.db2.gz QZOCCVGLEPUVGX-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001088399220 749419304 /nfs/dbraw/zinc/41/93/04/749419304.db2.gz FIRWKNOFWQKBMU-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127629 750214322 /nfs/dbraw/zinc/21/43/22/750214322.db2.gz CIINHSJDRXUKSU-ARFHVFGLSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127629 750214326 /nfs/dbraw/zinc/21/43/26/750214326.db2.gz CIINHSJDRXUKSU-ARFHVFGLSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127629 750214330 /nfs/dbraw/zinc/21/43/30/750214330.db2.gz CIINHSJDRXUKSU-ARFHVFGLSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127629 750214333 /nfs/dbraw/zinc/21/43/33/750214333.db2.gz CIINHSJDRXUKSU-ARFHVFGLSA-N 2 1 307.438 0.149 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219027 750275756 /nfs/dbraw/zinc/27/57/56/750275756.db2.gz GTBUVFXRYWQPOT-HUUCEWRRSA-N 2 1 307.438 0.600 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276096 750312112 /nfs/dbraw/zinc/31/21/12/750312112.db2.gz LOFBDVGHFZSPKR-HUUCEWRRSA-N 2 1 300.362 0.604 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276096 750312121 /nfs/dbraw/zinc/31/21/21/750312121.db2.gz LOFBDVGHFZSPKR-HUUCEWRRSA-N 2 1 300.362 0.604 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276240 750312596 /nfs/dbraw/zinc/31/25/96/750312596.db2.gz UDZPIQLUZGZPOI-HZPDHXFCSA-N 2 1 314.389 0.994 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276240 750312602 /nfs/dbraw/zinc/31/26/02/750312602.db2.gz UDZPIQLUZGZPOI-HZPDHXFCSA-N 2 1 314.389 0.994 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046039412 750854187 /nfs/dbraw/zinc/85/41/87/750854187.db2.gz XWJZLHPEQUQTGI-HZPDHXFCSA-N 2 1 306.454 0.178 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212354656 752647472 /nfs/dbraw/zinc/64/74/72/752647472.db2.gz FWMZEYXCTGGHFX-BFHYXJOUSA-N 2 1 301.406 0.668 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212354656 752647478 /nfs/dbraw/zinc/64/74/78/752647478.db2.gz FWMZEYXCTGGHFX-BFHYXJOUSA-N 2 1 301.406 0.668 20 30 DCEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001113126680 762152881 /nfs/dbraw/zinc/15/28/81/762152881.db2.gz RQRRBEZNTDZWRI-UPTPFMHGSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=C)C)C[C@H]2O)CC1 ZINC001078227218 753122710 /nfs/dbraw/zinc/12/27/10/753122710.db2.gz OLYMIYVOJDCHFG-HZPDHXFCSA-N 2 1 305.422 0.069 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010131 753413992 /nfs/dbraw/zinc/41/39/92/753413992.db2.gz JALBDZPRZPLNOC-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010131 753413998 /nfs/dbraw/zinc/41/39/98/753413998.db2.gz JALBDZPRZPLNOC-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010131 753414002 /nfs/dbraw/zinc/41/40/02/753414002.db2.gz JALBDZPRZPLNOC-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044139 753445405 /nfs/dbraw/zinc/44/54/05/753445405.db2.gz PZHFWOSQXZDBAV-INIZCTEOSA-N 2 1 317.437 0.596 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044139 753445407 /nfs/dbraw/zinc/44/54/07/753445407.db2.gz PZHFWOSQXZDBAV-INIZCTEOSA-N 2 1 317.437 0.596 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058149 753453792 /nfs/dbraw/zinc/45/37/92/753453792.db2.gz CYVUPJCFGHSTKT-QGZVFWFLSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064348 753458384 /nfs/dbraw/zinc/45/83/84/753458384.db2.gz LKNCGBWXKQQODZ-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046064348 753458388 /nfs/dbraw/zinc/45/83/88/753458388.db2.gz LKNCGBWXKQQODZ-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046064348 753458395 /nfs/dbraw/zinc/45/83/95/753458395.db2.gz LKNCGBWXKQQODZ-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081904 753472114 /nfs/dbraw/zinc/47/21/14/753472114.db2.gz LRLPFBFTIYOGBZ-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081904 753472115 /nfs/dbraw/zinc/47/21/15/753472115.db2.gz LRLPFBFTIYOGBZ-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081904 753472118 /nfs/dbraw/zinc/47/21/18/753472118.db2.gz LRLPFBFTIYOGBZ-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084116 753473112 /nfs/dbraw/zinc/47/31/12/753473112.db2.gz KEZAOGYIVPEKLX-MRXNPFEDSA-N 2 1 317.437 0.596 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084116 753473114 /nfs/dbraw/zinc/47/31/14/753473114.db2.gz KEZAOGYIVPEKLX-MRXNPFEDSA-N 2 1 317.437 0.596 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047472398 754312080 /nfs/dbraw/zinc/31/20/80/754312080.db2.gz JXRSMLMIBUNYOJ-ULQDDVLXSA-N 2 1 319.449 0.388 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001047599607 754425387 /nfs/dbraw/zinc/42/53/87/754425387.db2.gz BYVGGGSNCIKITK-HOTGVXAUSA-N 2 1 316.405 0.288 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001048588617 754815484 /nfs/dbraw/zinc/81/54/84/754815484.db2.gz ITJITXDPVIYHBW-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001048588617 754815487 /nfs/dbraw/zinc/81/54/87/754815487.db2.gz ITJITXDPVIYHBW-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001048588617 754815490 /nfs/dbraw/zinc/81/54/90/754815490.db2.gz ITJITXDPVIYHBW-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001048588617 754815494 /nfs/dbraw/zinc/81/54/94/754815494.db2.gz ITJITXDPVIYHBW-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090261823 754831058 /nfs/dbraw/zinc/83/10/58/754831058.db2.gz PGSPVWDKIVJHRJ-JKSUJKDBSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391855 755247221 /nfs/dbraw/zinc/24/72/21/755247221.db2.gz RRQJGNISQOHMPP-OAGGEKHMSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCO)CC2)CC1 ZINC001052953707 755884387 /nfs/dbraw/zinc/88/43/87/755884387.db2.gz GNDGHZIUCRMLLL-MRXNPFEDSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161388 756117951 /nfs/dbraw/zinc/11/79/51/756117951.db2.gz ZUWZASKRZXMFLA-HCBPCCMXSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080161388 756117953 /nfs/dbraw/zinc/11/79/53/756117953.db2.gz ZUWZASKRZXMFLA-HCBPCCMXSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080161388 756117958 /nfs/dbraw/zinc/11/79/58/756117958.db2.gz ZUWZASKRZXMFLA-HCBPCCMXSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)O2 ZINC001053698874 756152018 /nfs/dbraw/zinc/15/20/18/756152018.db2.gz XJIIMAZNQZCCOG-GJZGRUSLSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001053698874 756152019 /nfs/dbraw/zinc/15/20/19/756152019.db2.gz XJIIMAZNQZCCOG-GJZGRUSLSA-N 2 1 305.422 0.311 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001053982677 756314697 /nfs/dbraw/zinc/31/46/97/756314697.db2.gz NYIUPZFOYZGIBO-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001053982677 756314704 /nfs/dbraw/zinc/31/47/04/756314704.db2.gz NYIUPZFOYZGIBO-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2C)CC1 ZINC001080992742 756415954 /nfs/dbraw/zinc/41/59/54/756415954.db2.gz XJWSBINQPGQYQB-GDBMZVCRSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001083119320 757475873 /nfs/dbraw/zinc/47/58/73/757475873.db2.gz MMTLNLNCFVZOBV-QKPAOTATSA-N 2 1 323.437 0.193 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001083119320 757475877 /nfs/dbraw/zinc/47/58/77/757475877.db2.gz MMTLNLNCFVZOBV-QKPAOTATSA-N 2 1 323.437 0.193 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001083119320 757475881 /nfs/dbraw/zinc/47/58/81/757475881.db2.gz MMTLNLNCFVZOBV-QKPAOTATSA-N 2 1 323.437 0.193 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001083119320 757475888 /nfs/dbraw/zinc/47/58/88/757475888.db2.gz MMTLNLNCFVZOBV-QKPAOTATSA-N 2 1 323.437 0.193 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961872 757590980 /nfs/dbraw/zinc/59/09/80/757590980.db2.gz LCVBSAUTTXSAAO-ZBFHGGJFSA-N 2 1 318.421 0.889 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961872 757590986 /nfs/dbraw/zinc/59/09/86/757590986.db2.gz LCVBSAUTTXSAAO-ZBFHGGJFSA-N 2 1 318.421 0.889 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745392 758010314 /nfs/dbraw/zinc/01/03/14/758010314.db2.gz WVSPTWSVAGLSOW-NVXWUHKLSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745392 758010321 /nfs/dbraw/zinc/01/03/21/758010321.db2.gz WVSPTWSVAGLSOW-NVXWUHKLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368497 758793486 /nfs/dbraw/zinc/79/34/86/758793486.db2.gz QXLJNHDCAGKPTR-KRWDZBQOSA-N 2 1 319.449 0.247 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108925 759185140 /nfs/dbraw/zinc/18/51/40/759185140.db2.gz SOAVQEACFZEWNC-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108925 759185147 /nfs/dbraw/zinc/18/51/47/759185147.db2.gz SOAVQEACFZEWNC-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108925 759185153 /nfs/dbraw/zinc/18/51/53/759185153.db2.gz SOAVQEACFZEWNC-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108925 759185158 /nfs/dbraw/zinc/18/51/58/759185158.db2.gz SOAVQEACFZEWNC-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H](C)COC)CC1 ZINC001085986628 759547451 /nfs/dbraw/zinc/54/74/51/759547451.db2.gz JCGCBQNUVYVBSX-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001086110070 759721985 /nfs/dbraw/zinc/72/19/85/759721985.db2.gz RUDCJXYYRPOVDF-NXOAAHMSSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001086110070 759721991 /nfs/dbraw/zinc/72/19/91/759721991.db2.gz RUDCJXYYRPOVDF-NXOAAHMSSA-N 2 1 319.449 0.605 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086331617 760037071 /nfs/dbraw/zinc/03/70/71/760037071.db2.gz APPOXDJKUZYMKZ-AVGNSLFASA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086331617 760037080 /nfs/dbraw/zinc/03/70/80/760037080.db2.gz APPOXDJKUZYMKZ-AVGNSLFASA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086432345 760184960 /nfs/dbraw/zinc/18/49/60/760184960.db2.gz RXLOYOHLIOZGJA-GZOJWHRLSA-N 2 1 319.449 0.910 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343685 760417738 /nfs/dbraw/zinc/41/77/38/760417738.db2.gz XPYIMYYTKSDXJH-INIZCTEOSA-N 2 1 313.442 0.348 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001108354658 760427823 /nfs/dbraw/zinc/42/78/23/760427823.db2.gz NZYYFIMFYNOOGK-QGZVFWFLSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108354658 760427831 /nfs/dbraw/zinc/42/78/31/760427831.db2.gz NZYYFIMFYNOOGK-QGZVFWFLSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354658 760427835 /nfs/dbraw/zinc/42/78/35/760427835.db2.gz NZYYFIMFYNOOGK-QGZVFWFLSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354658 760427841 /nfs/dbraw/zinc/42/78/41/760427841.db2.gz NZYYFIMFYNOOGK-QGZVFWFLSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001108354657 760427878 /nfs/dbraw/zinc/42/78/78/760427878.db2.gz NZYYFIMFYNOOGK-KRWDZBQOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108354657 760427879 /nfs/dbraw/zinc/42/78/79/760427879.db2.gz NZYYFIMFYNOOGK-KRWDZBQOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354657 760427882 /nfs/dbraw/zinc/42/78/82/760427882.db2.gz NZYYFIMFYNOOGK-KRWDZBQOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108354657 760427887 /nfs/dbraw/zinc/42/78/87/760427887.db2.gz NZYYFIMFYNOOGK-KRWDZBQOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169799645 760848815 /nfs/dbraw/zinc/84/88/15/760848815.db2.gz WPNQRUGLUOTVKH-HUUCEWRRSA-N 2 1 324.469 0.647 20 30 DCEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070435233 761236916 /nfs/dbraw/zinc/23/69/16/761236916.db2.gz AFEPOKCUCDYEQD-UONOGXRCSA-N 2 1 317.437 0.953 20 30 DCEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070435233 761236923 /nfs/dbraw/zinc/23/69/23/761236923.db2.gz AFEPOKCUCDYEQD-UONOGXRCSA-N 2 1 317.437 0.953 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070435233 761236930 /nfs/dbraw/zinc/23/69/30/761236930.db2.gz AFEPOKCUCDYEQD-UONOGXRCSA-N 2 1 317.437 0.953 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148604224 768018315 /nfs/dbraw/zinc/01/83/15/768018315.db2.gz ACTRPPYYCLSRCU-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148604224 768018318 /nfs/dbraw/zinc/01/83/18/768018318.db2.gz ACTRPPYYCLSRCU-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148604224 768018321 /nfs/dbraw/zinc/01/83/21/768018321.db2.gz ACTRPPYYCLSRCU-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001071175824 761684700 /nfs/dbraw/zinc/68/47/00/761684700.db2.gz LRGRSLKESKWJSK-QAPCUYQASA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071175824 761684704 /nfs/dbraw/zinc/68/47/04/761684704.db2.gz LRGRSLKESKWJSK-QAPCUYQASA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071175824 761684707 /nfs/dbraw/zinc/68/47/07/761684707.db2.gz LRGRSLKESKWJSK-QAPCUYQASA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](C)O2 ZINC001098662958 762706155 /nfs/dbraw/zinc/70/61/55/762706155.db2.gz RETOSUDHKGICQY-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101141 762845160 /nfs/dbraw/zinc/84/51/60/762845160.db2.gz AOFNAPOFXZWSAI-FZKCQIBNSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101141 762845166 /nfs/dbraw/zinc/84/51/66/762845166.db2.gz AOFNAPOFXZWSAI-FZKCQIBNSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101141 762845172 /nfs/dbraw/zinc/84/51/72/762845172.db2.gz AOFNAPOFXZWSAI-FZKCQIBNSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101141 762845181 /nfs/dbraw/zinc/84/51/81/762845181.db2.gz AOFNAPOFXZWSAI-FZKCQIBNSA-N 2 1 305.422 0.309 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114290118 762922505 /nfs/dbraw/zinc/92/25/05/762922505.db2.gz BHSDIFYKXCNUEK-MWDXBVQZSA-N 2 1 319.449 0.577 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970859 768106296 /nfs/dbraw/zinc/10/62/96/768106296.db2.gz KSXLNSGPICQYLS-ARFHVFGLSA-N 2 1 317.437 0.584 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](O)C1 ZINC001099898671 763108541 /nfs/dbraw/zinc/10/85/41/763108541.db2.gz FXZACIHZQSYMGX-HZPDHXFCSA-N 2 1 316.405 0.093 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](O)C1 ZINC001099898671 763108544 /nfs/dbraw/zinc/10/85/44/763108544.db2.gz FXZACIHZQSYMGX-HZPDHXFCSA-N 2 1 316.405 0.093 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074273 763284523 /nfs/dbraw/zinc/28/45/23/763284523.db2.gz KUCMSFXJBIXGFW-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100114332 763324176 /nfs/dbraw/zinc/32/41/76/763324176.db2.gz LSXVXQMCNZHBIJ-JKSUJKDBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141289 763346640 /nfs/dbraw/zinc/34/66/40/763346640.db2.gz PACVMTAPTWNQQU-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141289 763346648 /nfs/dbraw/zinc/34/66/48/763346648.db2.gz PACVMTAPTWNQQU-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001100674051 763715765 /nfs/dbraw/zinc/71/57/65/763715765.db2.gz KRYRSAJWKBAXOQ-WLYUNCDWSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269646 764347184 /nfs/dbraw/zinc/34/71/84/764347184.db2.gz NGJLRDSVMBQBKD-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269646 764347192 /nfs/dbraw/zinc/34/71/92/764347192.db2.gz NGJLRDSVMBQBKD-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098479015 764437484 /nfs/dbraw/zinc/43/74/84/764437484.db2.gz OBZFHFOLKJVILF-ZBFHGGJFSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479015 764437491 /nfs/dbraw/zinc/43/74/91/764437491.db2.gz OBZFHFOLKJVILF-ZBFHGGJFSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479015 764437497 /nfs/dbraw/zinc/43/74/97/764437497.db2.gz OBZFHFOLKJVILF-ZBFHGGJFSA-N 2 1 307.438 0.103 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098479286 764524271 /nfs/dbraw/zinc/52/42/71/764524271.db2.gz ZPCBKEZHKYWBQW-GOEBONIOSA-N 2 1 309.454 0.655 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479286 764524276 /nfs/dbraw/zinc/52/42/76/764524276.db2.gz ZPCBKEZHKYWBQW-GOEBONIOSA-N 2 1 309.454 0.655 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479286 764524280 /nfs/dbraw/zinc/52/42/80/764524280.db2.gz ZPCBKEZHKYWBQW-GOEBONIOSA-N 2 1 309.454 0.655 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580577 764711962 /nfs/dbraw/zinc/71/19/62/764711962.db2.gz COIWAICZJMCOJJ-OWCLPIDISA-N 2 1 307.438 0.272 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818789 764829231 /nfs/dbraw/zinc/82/92/31/764829231.db2.gz HPBZGMHAIRYFCE-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818789 764829239 /nfs/dbraw/zinc/82/92/39/764829239.db2.gz HPBZGMHAIRYFCE-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818789 764829247 /nfs/dbraw/zinc/82/92/47/764829247.db2.gz HPBZGMHAIRYFCE-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818789 764829257 /nfs/dbraw/zinc/82/92/57/764829257.db2.gz HPBZGMHAIRYFCE-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133165638 764855451 /nfs/dbraw/zinc/85/54/51/764855451.db2.gz KLYDVMLXMFZMST-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245209 765660408 /nfs/dbraw/zinc/66/04/08/765660408.db2.gz NMIVUOVNAMECSF-WCVJEAGWSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115299654 765680744 /nfs/dbraw/zinc/68/07/44/765680744.db2.gz CSALKWRNSJUZCR-TTZDDIAXSA-N 2 1 322.453 0.064 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115299654 765680749 /nfs/dbraw/zinc/68/07/49/765680749.db2.gz CSALKWRNSJUZCR-TTZDDIAXSA-N 2 1 322.453 0.064 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115299654 765680751 /nfs/dbraw/zinc/68/07/51/765680751.db2.gz CSALKWRNSJUZCR-TTZDDIAXSA-N 2 1 322.453 0.064 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090525366 766153199 /nfs/dbraw/zinc/15/31/99/766153199.db2.gz KWKZADZICWNVOT-GJZGRUSLSA-N 2 1 319.405 0.530 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)C[C@H]2O)CC1 ZINC001090830878 766649073 /nfs/dbraw/zinc/64/90/73/766649073.db2.gz QDYQWSVSYNJVDP-HZPDHXFCSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001122219883 767743353 /nfs/dbraw/zinc/74/33/53/767743353.db2.gz MNMOOUXDLFRVGB-HVEGKCCWSA-N 2 1 319.449 0.747 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001122219883 767743355 /nfs/dbraw/zinc/74/33/55/767743355.db2.gz MNMOOUXDLFRVGB-HVEGKCCWSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001149803643 768865024 /nfs/dbraw/zinc/86/50/24/768865024.db2.gz BMMVVIQPGYBSEC-GJZGRUSLSA-N 2 1 313.417 0.507 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001149803643 768865035 /nfs/dbraw/zinc/86/50/35/768865035.db2.gz BMMVVIQPGYBSEC-GJZGRUSLSA-N 2 1 313.417 0.507 20 30 DCEDMP C=CCCN1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338149 768997184 /nfs/dbraw/zinc/99/71/84/768997184.db2.gz ANNZOCLYQVRJDE-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001094338149 768997191 /nfs/dbraw/zinc/99/71/91/768997191.db2.gz ANNZOCLYQVRJDE-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338149 768997195 /nfs/dbraw/zinc/99/71/95/768997195.db2.gz ANNZOCLYQVRJDE-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001094583297 769117523 /nfs/dbraw/zinc/11/75/23/769117523.db2.gz PODMHYVYTVYAOS-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001094583297 769117529 /nfs/dbraw/zinc/11/75/29/769117529.db2.gz PODMHYVYTVYAOS-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094583297 769117534 /nfs/dbraw/zinc/11/75/34/769117534.db2.gz PODMHYVYTVYAOS-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094583297 769117538 /nfs/dbraw/zinc/11/75/38/769117538.db2.gz PODMHYVYTVYAOS-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606318 769137528 /nfs/dbraw/zinc/13/75/28/769137528.db2.gz FJCKPXDAKOASMH-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001151048735 769245491 /nfs/dbraw/zinc/24/54/91/769245491.db2.gz FDZSZNIDRRXWTQ-OAHLLOKOSA-N 2 1 303.381 0.835 20 30 DCEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151114449 769265188 /nfs/dbraw/zinc/26/51/88/769265188.db2.gz MIGKXQQDXIVARR-UHFFFAOYSA-N 2 1 304.369 0.999 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152457945 769567050 /nfs/dbraw/zinc/56/70/50/769567050.db2.gz JFDHQQFNQXWYGM-UONOGXRCSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CCCN1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177124356 770327975 /nfs/dbraw/zinc/32/79/75/770327975.db2.gz JNUIYFAVOMAMRP-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181008860 771217716 /nfs/dbraw/zinc/21/77/16/771217716.db2.gz LZMAYUDWXOTQKC-HLLBOEOZSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181008860 771217718 /nfs/dbraw/zinc/21/77/18/771217718.db2.gz LZMAYUDWXOTQKC-HLLBOEOZSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473107 771497298 /nfs/dbraw/zinc/49/72/98/771497298.db2.gz OIRJWUIWUCHQPS-HUUCEWRRSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576493 771669932 /nfs/dbraw/zinc/66/99/32/771669932.db2.gz PCCKBUKAUPZXBJ-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576493 771669938 /nfs/dbraw/zinc/66/99/38/771669938.db2.gz PCCKBUKAUPZXBJ-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157899799 771688948 /nfs/dbraw/zinc/68/89/48/771688948.db2.gz VTALKFRMMLJQLI-HUUCEWRRSA-N 2 1 324.469 0.646 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157899798 771689220 /nfs/dbraw/zinc/68/92/20/771689220.db2.gz VTALKFRMMLJQLI-GJZGRUSLSA-N 2 1 324.469 0.646 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001159632835 771937584 /nfs/dbraw/zinc/93/75/84/771937584.db2.gz ATUHPDDTTYFMDP-GUYCJALGSA-N 2 1 317.437 0.977 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185722885 771949140 /nfs/dbraw/zinc/94/91/40/771949140.db2.gz DNCKPTKRVKTWDJ-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)(COC)CC1 ZINC001162482988 772378823 /nfs/dbraw/zinc/37/88/23/772378823.db2.gz ZPWAKTDIUVVAAY-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)(COC)CC1 ZINC001162481795 772378942 /nfs/dbraw/zinc/37/89/42/772378942.db2.gz FTWCOMRKJVZNHD-HZPDHXFCSA-N 2 1 321.465 0.662 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162576323 772394272 /nfs/dbraw/zinc/39/42/72/772394272.db2.gz CZSPHCBUHAHRDV-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872585 772427977 /nfs/dbraw/zinc/42/79/77/772427977.db2.gz XCZHOJFUEHIBIB-ISXOHVOVSA-N 2 1 307.438 0.912 20 30 DCEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163939736 772595822 /nfs/dbraw/zinc/59/58/22/772595822.db2.gz FPLVKUNFEDUXNX-CYBMUJFWSA-N 2 1 315.845 0.946 20 30 DCEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939736 772595824 /nfs/dbraw/zinc/59/58/24/772595824.db2.gz FPLVKUNFEDUXNX-CYBMUJFWSA-N 2 1 315.845 0.946 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC#CCOC)C2)CC[N@H+]1C ZINC001190247343 772610403 /nfs/dbraw/zinc/61/04/03/772610403.db2.gz OUGNQJUTBIUXCK-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC#CCOC)C2)CC[NH+]1C ZINC001190247343 772610404 /nfs/dbraw/zinc/61/04/04/772610404.db2.gz OUGNQJUTBIUXCK-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC#CCOC)C2)CC[NH+]1C ZINC001190247343 772610406 /nfs/dbraw/zinc/61/04/06/772610406.db2.gz OUGNQJUTBIUXCK-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190644424 772656654 /nfs/dbraw/zinc/65/66/54/772656654.db2.gz HGWPVAUOBYDNIP-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190644424 772656657 /nfs/dbraw/zinc/65/66/57/772656657.db2.gz HGWPVAUOBYDNIP-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191067986 772715582 /nfs/dbraw/zinc/71/55/82/772715582.db2.gz AKLVJISPZQCNPH-CYBMUJFWSA-N 2 1 304.394 0.906 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191067986 772715586 /nfs/dbraw/zinc/71/55/86/772715586.db2.gz AKLVJISPZQCNPH-CYBMUJFWSA-N 2 1 304.394 0.906 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)COC)CC1 ZINC001165545224 772746190 /nfs/dbraw/zinc/74/61/90/772746190.db2.gz GRPIKDZRYKMBED-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)COC)CC1 ZINC001165545224 772746195 /nfs/dbraw/zinc/74/61/95/772746195.db2.gz GRPIKDZRYKMBED-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191431954 772768352 /nfs/dbraw/zinc/76/83/52/772768352.db2.gz XJJRJDYAUACXFH-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001191431954 772768354 /nfs/dbraw/zinc/76/83/54/772768354.db2.gz XJJRJDYAUACXFH-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191431954 772768358 /nfs/dbraw/zinc/76/83/58/772768358.db2.gz XJJRJDYAUACXFH-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950586 772847609 /nfs/dbraw/zinc/84/76/09/772847609.db2.gz VANPRPJLCYNYOR-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950586 772847616 /nfs/dbraw/zinc/84/76/16/772847616.db2.gz VANPRPJLCYNYOR-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191950586 772847618 /nfs/dbraw/zinc/84/76/18/772847618.db2.gz VANPRPJLCYNYOR-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191950586 772847622 /nfs/dbraw/zinc/84/76/22/772847622.db2.gz VANPRPJLCYNYOR-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152724 772875717 /nfs/dbraw/zinc/87/57/17/772875717.db2.gz HWLQXNVWHMKPCO-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001204798527 772962393 /nfs/dbraw/zinc/96/23/93/772962393.db2.gz KHKPQTJIIQEQBV-HNNXBMFYSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345570 772988092 /nfs/dbraw/zinc/98/80/92/772988092.db2.gz RCGMWXHFHVQMAF-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](C)O)CC1 ZINC001205479695 772995020 /nfs/dbraw/zinc/99/50/20/772995020.db2.gz SWVQPEWGIVBCTQ-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](C)O)CC1 ZINC001205479695 772995022 /nfs/dbraw/zinc/99/50/22/772995022.db2.gz SWVQPEWGIVBCTQ-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193078420 773001210 /nfs/dbraw/zinc/00/12/10/773001210.db2.gz SOQLHIWHRDXVSC-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206273834 773060670 /nfs/dbraw/zinc/06/06/70/773060670.db2.gz AMPRNQFMKMDUCK-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194293830 773178597 /nfs/dbraw/zinc/17/85/97/773178597.db2.gz JNGGHBYJOZRGIT-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293830 773178598 /nfs/dbraw/zinc/17/85/98/773178598.db2.gz JNGGHBYJOZRGIT-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293830 773178599 /nfs/dbraw/zinc/17/85/99/773178599.db2.gz JNGGHBYJOZRGIT-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568296 773238655 /nfs/dbraw/zinc/23/86/55/773238655.db2.gz ZQSDAIKHSZNBMS-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207568296 773238657 /nfs/dbraw/zinc/23/86/57/773238657.db2.gz ZQSDAIKHSZNBMS-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207568296 773238664 /nfs/dbraw/zinc/23/86/64/773238664.db2.gz ZQSDAIKHSZNBMS-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205703533 773405600 /nfs/dbraw/zinc/40/56/00/773405600.db2.gz GPLDEKJLFMSJLI-UHFFFAOYSA-N 2 1 318.421 0.670 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441462 773462488 /nfs/dbraw/zinc/46/24/88/773462488.db2.gz GVHJZLHCFWNWJO-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441462 773462492 /nfs/dbraw/zinc/46/24/92/773462492.db2.gz GVHJZLHCFWNWJO-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210773444 773735332 /nfs/dbraw/zinc/73/53/32/773735332.db2.gz JKQTUPHCCXRFDH-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434521 773846981 /nfs/dbraw/zinc/84/69/81/773846981.db2.gz FRPRHNDXHHSGTQ-BZUAXINKSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203932287 774076382 /nfs/dbraw/zinc/07/63/82/774076382.db2.gz BGYWRMDAUDCDQC-AWEZNQCLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001217533102 774182048 /nfs/dbraw/zinc/18/20/48/774182048.db2.gz RLFKXGCYJJGMMW-HRCADAONSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001217533102 774182056 /nfs/dbraw/zinc/18/20/56/774182056.db2.gz RLFKXGCYJJGMMW-HRCADAONSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001217533102 774182060 /nfs/dbraw/zinc/18/20/60/774182060.db2.gz RLFKXGCYJJGMMW-HRCADAONSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001217533102 774182063 /nfs/dbraw/zinc/18/20/63/774182063.db2.gz RLFKXGCYJJGMMW-HRCADAONSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001217555351 774184687 /nfs/dbraw/zinc/18/46/87/774184687.db2.gz TYTLBSICLZCTIR-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001217555351 774184690 /nfs/dbraw/zinc/18/46/90/774184690.db2.gz TYTLBSICLZCTIR-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001217555351 774184695 /nfs/dbraw/zinc/18/46/95/774184695.db2.gz TYTLBSICLZCTIR-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(C)C)C1 ZINC001200720676 774397861 /nfs/dbraw/zinc/39/78/61/774397861.db2.gz CLJAFTDNDJSHIP-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(C)C)C1 ZINC001200720676 774397865 /nfs/dbraw/zinc/39/78/65/774397865.db2.gz CLJAFTDNDJSHIP-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724286 774592142 /nfs/dbraw/zinc/59/21/42/774592142.db2.gz FKKOOFVSHGNHOT-MJBXVCDLSA-N 2 1 301.406 0.404 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724286 774592148 /nfs/dbraw/zinc/59/21/48/774592148.db2.gz FKKOOFVSHGNHOT-MJBXVCDLSA-N 2 1 301.406 0.404 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091737 774992294 /nfs/dbraw/zinc/99/22/94/774992294.db2.gz WFSGPBSEEZGIBH-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091737 774992297 /nfs/dbraw/zinc/99/22/97/774992297.db2.gz WFSGPBSEEZGIBH-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980013 775375132 /nfs/dbraw/zinc/37/51/32/775375132.db2.gz MZAMFLKERGGGFV-TUVASFSCSA-N 2 1 322.453 0.350 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980013 775375136 /nfs/dbraw/zinc/37/51/36/775375136.db2.gz MZAMFLKERGGGFV-TUVASFSCSA-N 2 1 322.453 0.350 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001040944391 776986094 /nfs/dbraw/zinc/98/60/94/776986094.db2.gz HKHMQNNJKDLJMB-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001040944391 776986101 /nfs/dbraw/zinc/98/61/01/776986101.db2.gz HKHMQNNJKDLJMB-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167199 777104155 /nfs/dbraw/zinc/10/41/55/777104155.db2.gz KLCYRNVCCWVBLJ-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167199 777104160 /nfs/dbraw/zinc/10/41/60/777104160.db2.gz KLCYRNVCCWVBLJ-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167199 777104165 /nfs/dbraw/zinc/10/41/65/777104165.db2.gz KLCYRNVCCWVBLJ-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167199 777104171 /nfs/dbraw/zinc/10/41/71/777104171.db2.gz KLCYRNVCCWVBLJ-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270992 777821295 /nfs/dbraw/zinc/82/12/95/777821295.db2.gz VNOJXRLPBIDHHB-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270992 777821307 /nfs/dbraw/zinc/82/13/07/777821307.db2.gz VNOJXRLPBIDHHB-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001266294857 939055669 /nfs/dbraw/zinc/05/56/69/939055669.db2.gz NHJKAYVGNGFINW-SJORKVTESA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001266294857 939055673 /nfs/dbraw/zinc/05/56/73/939055673.db2.gz NHJKAYVGNGFINW-SJORKVTESA-N 2 1 318.465 0.370 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266822527 939246349 /nfs/dbraw/zinc/24/63/49/939246349.db2.gz ACJLNMLLHFUTRU-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCO)CC1 ZINC001267189944 939378673 /nfs/dbraw/zinc/37/86/73/939378673.db2.gz BALYQKYWPYKYGO-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCO)CC1 ZINC001267189944 939378676 /nfs/dbraw/zinc/37/86/76/939378676.db2.gz BALYQKYWPYKYGO-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001267247167 939401603 /nfs/dbraw/zinc/40/16/03/939401603.db2.gz BOUKEZFZTLQTEP-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+](CC)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001267247167 939401605 /nfs/dbraw/zinc/40/16/05/939401605.db2.gz BOUKEZFZTLQTEP-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+](CC)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001267247167 939401607 /nfs/dbraw/zinc/40/16/07/939401607.db2.gz BOUKEZFZTLQTEP-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267474359 939470681 /nfs/dbraw/zinc/47/06/81/939470681.db2.gz QQKOZEWKKQNUHZ-KRWDZBQOSA-N 2 1 317.433 0.987 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267563298 939501280 /nfs/dbraw/zinc/50/12/80/939501280.db2.gz VZXIWHOWGCIBGW-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267563298 939501282 /nfs/dbraw/zinc/50/12/82/939501282.db2.gz VZXIWHOWGCIBGW-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267571948 939515211 /nfs/dbraw/zinc/51/52/11/939515211.db2.gz VAHWYKNFVAMEKM-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267571948 939515213 /nfs/dbraw/zinc/51/52/13/939515213.db2.gz VAHWYKNFVAMEKM-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267571948 939515215 /nfs/dbraw/zinc/51/52/15/939515215.db2.gz VAHWYKNFVAMEKM-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267571948 939515216 /nfs/dbraw/zinc/51/52/16/939515216.db2.gz VAHWYKNFVAMEKM-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001279738896 939615348 /nfs/dbraw/zinc/61/53/48/939615348.db2.gz YPZPSBFEWPLPNY-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOCC=C)C1 ZINC001267684129 939625135 /nfs/dbraw/zinc/62/51/35/939625135.db2.gz WQACSQVKJWGPTH-INIZCTEOSA-N 2 1 305.422 0.335 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOCC=C)C1 ZINC001267684129 939625136 /nfs/dbraw/zinc/62/51/36/939625136.db2.gz WQACSQVKJWGPTH-INIZCTEOSA-N 2 1 305.422 0.335 20 30 DCEDMP COCC#CCN1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001318159450 945277617 /nfs/dbraw/zinc/27/76/17/945277617.db2.gz REXWUDZNAINCTP-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001318159450 945277630 /nfs/dbraw/zinc/27/76/30/945277630.db2.gz REXWUDZNAINCTP-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001318155446 945278268 /nfs/dbraw/zinc/27/82/68/945278268.db2.gz PYXKOOQIYGIELU-LSDHHAIUSA-N 2 1 322.453 0.162 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001481472074 939885106 /nfs/dbraw/zinc/88/51/06/939885106.db2.gz GXMFUCZOXGNSDD-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCOC)C1 ZINC001481489770 939900358 /nfs/dbraw/zinc/90/03/58/939900358.db2.gz YOVQYVIWAQKIHJ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCOC)C1 ZINC001481489770 939900361 /nfs/dbraw/zinc/90/03/61/939900361.db2.gz YOVQYVIWAQKIHJ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCOC)C1 ZINC001481489770 939900366 /nfs/dbraw/zinc/90/03/66/939900366.db2.gz YOVQYVIWAQKIHJ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCOC)C1 ZINC001481489770 939900368 /nfs/dbraw/zinc/90/03/68/939900368.db2.gz YOVQYVIWAQKIHJ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268116712 939950735 /nfs/dbraw/zinc/95/07/35/939950735.db2.gz TWUVEKCKAQJIQI-CVEARBPZSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001268118559 939951045 /nfs/dbraw/zinc/95/10/45/939951045.db2.gz OAIBGWPQSNRYNY-CVEARBPZSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001268118559 939951049 /nfs/dbraw/zinc/95/10/49/939951049.db2.gz OAIBGWPQSNRYNY-CVEARBPZSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268471152 940164509 /nfs/dbraw/zinc/16/45/09/940164509.db2.gz BWQVURYUWKXPRC-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)COCCCC ZINC001246001833 945313006 /nfs/dbraw/zinc/31/30/06/945313006.db2.gz OSGXEOBHXGLBGU-GJZGRUSLSA-N 2 1 316.442 0.980 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2cnon2)CC1 ZINC001269516770 940723356 /nfs/dbraw/zinc/72/33/56/940723356.db2.gz QSWAGJJLPGOPAG-CQSZACIVSA-N 2 1 319.409 0.399 20 30 DCEDMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270345631 940884903 /nfs/dbraw/zinc/88/49/03/940884903.db2.gz ISWNXAOFHZBHNZ-HZPDHXFCSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001271146617 941288320 /nfs/dbraw/zinc/28/83/20/941288320.db2.gz WWEKDXGWDBGFTO-YOEHRIQHSA-N 2 1 318.421 0.583 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001271146617 941288322 /nfs/dbraw/zinc/28/83/22/941288322.db2.gz WWEKDXGWDBGFTO-YOEHRIQHSA-N 2 1 318.421 0.583 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001271298193 941343737 /nfs/dbraw/zinc/34/37/37/941343737.db2.gz VYAGHKNLLAMQCB-CQSZACIVSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001482564946 941506695 /nfs/dbraw/zinc/50/66/95/941506695.db2.gz IIFAPSCRZVRCON-CVEARBPZSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)noc1C ZINC001483136459 941902411 /nfs/dbraw/zinc/90/24/11/941902411.db2.gz SRNNSIPNSSBADG-WBMJQRKESA-N 2 1 318.421 0.983 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)noc1C ZINC001483136459 941902417 /nfs/dbraw/zinc/90/24/17/941902417.db2.gz SRNNSIPNSSBADG-WBMJQRKESA-N 2 1 318.421 0.983 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484121985 943156100 /nfs/dbraw/zinc/15/61/00/943156100.db2.gz NGUYOXVEAYDSTB-AEFFLSMTSA-N 2 1 321.465 0.806 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484243193 943249517 /nfs/dbraw/zinc/24/95/17/943249517.db2.gz UDQOFSNUWJCIOL-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484573614 943455752 /nfs/dbraw/zinc/45/57/52/943455752.db2.gz UPEVDYBLLVWYNT-BRWVUGGUSA-N 2 1 321.465 0.853 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001485078048 943685131 /nfs/dbraw/zinc/68/51/31/943685131.db2.gz RZBYJLJKZMCZOZ-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001485078048 943685134 /nfs/dbraw/zinc/68/51/34/943685134.db2.gz RZBYJLJKZMCZOZ-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2(CCO)C[NH+](CCCC)C2)CC1 ZINC001485426225 943929119 /nfs/dbraw/zinc/92/91/19/943929119.db2.gz ZIRLHCXNNXUPIT-UHFFFAOYSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580282 944014110 /nfs/dbraw/zinc/01/41/10/944014110.db2.gz FMKYWOJTWYIVRY-LSDHHAIUSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580282 944014115 /nfs/dbraw/zinc/01/41/15/944014115.db2.gz FMKYWOJTWYIVRY-LSDHHAIUSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580282 944014120 /nfs/dbraw/zinc/01/41/20/944014120.db2.gz FMKYWOJTWYIVRY-LSDHHAIUSA-N 2 1 309.454 0.967 20 30 DCEDMP CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC#CCOC)C2)[NH+](C)C ZINC001485663765 944067266 /nfs/dbraw/zinc/06/72/66/944067266.db2.gz FAMQPHRBASODJL-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001276467253 944182142 /nfs/dbraw/zinc/18/21/42/944182142.db2.gz ACWSMVNHEZMEIM-KGLIPLIRSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001276467253 944182149 /nfs/dbraw/zinc/18/21/49/944182149.db2.gz ACWSMVNHEZMEIM-KGLIPLIRSA-N 2 1 324.469 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCn1cccn1 ZINC001272837246 944269225 /nfs/dbraw/zinc/26/92/25/944269225.db2.gz FYUAXIODNJRVGZ-HOTGVXAUSA-N 2 1 317.437 0.465 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCn1cccn1 ZINC001272837246 944269235 /nfs/dbraw/zinc/26/92/35/944269235.db2.gz FYUAXIODNJRVGZ-HOTGVXAUSA-N 2 1 317.437 0.465 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485997792 944472102 /nfs/dbraw/zinc/47/21/02/944472102.db2.gz RQYKHODUADNXSK-HOTGVXAUSA-N 2 1 321.465 0.731 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001486022816 944483876 /nfs/dbraw/zinc/48/38/76/944483876.db2.gz JXXCNXHHQGQDMD-LBPRGKRZSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001486005165 944490666 /nfs/dbraw/zinc/49/06/66/944490666.db2.gz RPVOXBCLQJXURS-QWHCGFSZSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001486005165 944490671 /nfs/dbraw/zinc/49/06/71/944490671.db2.gz RPVOXBCLQJXURS-QWHCGFSZSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001486047108 944504947 /nfs/dbraw/zinc/50/49/47/944504947.db2.gz DPEXKOGTBVSPTN-CQSZACIVSA-N 2 1 315.377 0.524 20 30 DCEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001486027916 944508790 /nfs/dbraw/zinc/50/87/90/944508790.db2.gz QDSRZZYQSALSTC-ZBFHGGJFSA-N 2 1 307.438 0.483 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001277087906 944657661 /nfs/dbraw/zinc/65/76/61/944657661.db2.gz SVEMMDBYSDQKEY-AJNGGQMLSA-N 2 1 322.453 0.113 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001316934761 944660065 /nfs/dbraw/zinc/66/00/65/944660065.db2.gz UZMWRXINKWAXMI-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001316959141 944682850 /nfs/dbraw/zinc/68/28/50/944682850.db2.gz SSMVMBBKGPSGAU-KRWDZBQOSA-N 2 1 322.497 0.720 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986848 944716833 /nfs/dbraw/zinc/71/68/33/944716833.db2.gz ORIYYSVWNJKEQB-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986848 944716838 /nfs/dbraw/zinc/71/68/38/944716838.db2.gz ORIYYSVWNJKEQB-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486341684 944822011 /nfs/dbraw/zinc/82/20/11/944822011.db2.gz TWAHIHDERATCPC-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001277608078 944905225 /nfs/dbraw/zinc/90/52/25/944905225.db2.gz DIUHHZQXVCAKNW-HNNXBMFYSA-N 2 1 318.421 0.500 20 30 DCEDMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001317374889 944943894 /nfs/dbraw/zinc/94/38/94/944943894.db2.gz GWTZMCSGWDCVJQ-HZPDHXFCSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317396769 944953846 /nfs/dbraw/zinc/95/38/46/944953846.db2.gz QESKXMNZKGXNJL-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCN1CC[C@@H](N(C)CCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001317471189 944989304 /nfs/dbraw/zinc/98/93/04/944989304.db2.gz DQZYJNGYDCOTTN-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001317471189 944989316 /nfs/dbraw/zinc/98/93/16/944989316.db2.gz DQZYJNGYDCOTTN-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[NH+](C)C(C)C)C1=O ZINC001317471189 944989321 /nfs/dbraw/zinc/98/93/21/944989321.db2.gz DQZYJNGYDCOTTN-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[NH+](C)C(C)C)C1=O ZINC001317471189 944989326 /nfs/dbraw/zinc/98/93/26/944989326.db2.gz DQZYJNGYDCOTTN-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001317512945 945009210 /nfs/dbraw/zinc/00/92/10/945009210.db2.gz FMVKIAOPHZCHTB-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001317512945 945009222 /nfs/dbraw/zinc/00/92/22/945009222.db2.gz FMVKIAOPHZCHTB-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001317512945 945009231 /nfs/dbraw/zinc/00/92/31/945009231.db2.gz FMVKIAOPHZCHTB-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001317512945 945009245 /nfs/dbraw/zinc/00/92/45/945009245.db2.gz FMVKIAOPHZCHTB-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246819787 945496294 /nfs/dbraw/zinc/49/62/94/945496294.db2.gz IYKJNQJJESQTCL-MRXNPFEDSA-N 2 1 315.465 0.574 20 30 DCEDMP C=CCOC1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246823468 945498830 /nfs/dbraw/zinc/49/88/30/945498830.db2.gz VKLXWSGMGVSMJZ-UHFFFAOYSA-N 2 1 310.486 0.585 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001319410645 945579182 /nfs/dbraw/zinc/57/91/82/945579182.db2.gz FNJKHRHRIMSXQX-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001319410645 945579194 /nfs/dbraw/zinc/57/91/94/945579194.db2.gz FNJKHRHRIMSXQX-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001319707585 945650461 /nfs/dbraw/zinc/65/04/61/945650461.db2.gz FTRVMVUYIYAHKI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001273180581 945678402 /nfs/dbraw/zinc/67/84/02/945678402.db2.gz SWCRCQMLPSICJK-CQSZACIVSA-N 2 1 322.453 0.259 20 30 DCEDMP C=CCC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001252595554 945967972 /nfs/dbraw/zinc/96/79/72/945967972.db2.gz IQTZJBBEZZUQKK-BRWVUGGUSA-N 2 1 312.454 0.983 20 30 DCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001252595554 945967977 /nfs/dbraw/zinc/96/79/77/945967977.db2.gz IQTZJBBEZZUQKK-BRWVUGGUSA-N 2 1 312.454 0.983 20 30 DCEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001252595554 945967981 /nfs/dbraw/zinc/96/79/81/945967981.db2.gz IQTZJBBEZZUQKK-BRWVUGGUSA-N 2 1 312.454 0.983 20 30 DCEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001252598815 945970740 /nfs/dbraw/zinc/97/07/40/945970740.db2.gz RTFZHXIJKLBBFO-QZWWFDLISA-N 2 1 319.453 1.000 20 30 DCEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001252598815 945970745 /nfs/dbraw/zinc/97/07/45/945970745.db2.gz RTFZHXIJKLBBFO-QZWWFDLISA-N 2 1 319.453 1.000 20 30 DCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252598815 945970749 /nfs/dbraw/zinc/97/07/49/945970749.db2.gz RTFZHXIJKLBBFO-QZWWFDLISA-N 2 1 319.453 1.000 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252598815 945970754 /nfs/dbraw/zinc/97/07/54/945970754.db2.gz RTFZHXIJKLBBFO-QZWWFDLISA-N 2 1 319.453 1.000 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNCc1cc(C)n(C)n1 ZINC001321543361 946370456 /nfs/dbraw/zinc/37/04/56/946370456.db2.gz MOXZJQJOFRXQKR-CJNGLKHVSA-N 2 1 317.437 0.420 20 30 DCEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#CCOC ZINC001322169942 946598629 /nfs/dbraw/zinc/59/86/29/946598629.db2.gz VAZNUKFIZUDKQW-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#CCOC ZINC001322169942 946598640 /nfs/dbraw/zinc/59/86/40/946598640.db2.gz VAZNUKFIZUDKQW-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC#CCOC ZINC001322169942 946598643 /nfs/dbraw/zinc/59/86/43/946598643.db2.gz VAZNUKFIZUDKQW-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#CCOC ZINC001322169942 946598653 /nfs/dbraw/zinc/59/86/53/946598653.db2.gz VAZNUKFIZUDKQW-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+](CCOC)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001323748439 947188759 /nfs/dbraw/zinc/18/87/59/947188759.db2.gz ISRKNXKPUPGVLE-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001411109016 947343983 /nfs/dbraw/zinc/34/39/83/947343983.db2.gz ZJEIJBUUODAGKH-DGCLKSJQSA-N 2 1 303.834 0.490 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325161010 947687768 /nfs/dbraw/zinc/68/77/68/947687768.db2.gz LGNDDHRAVRPXCY-NVXWUHKLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001325778648 947921077 /nfs/dbraw/zinc/92/10/77/947921077.db2.gz IWUAFIHOBPYHRX-IYBDPMFKSA-N 2 1 307.438 0.675 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC#CCOC)C1 ZINC001326418887 948156289 /nfs/dbraw/zinc/15/62/89/948156289.db2.gz MHSONZKMUHPEAQ-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327111479 948400183 /nfs/dbraw/zinc/40/01/83/948400183.db2.gz RVNNOWJOMHYSAI-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001327111479 948400188 /nfs/dbraw/zinc/40/01/88/948400188.db2.gz RVNNOWJOMHYSAI-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001327111479 948400195 /nfs/dbraw/zinc/40/01/95/948400195.db2.gz RVNNOWJOMHYSAI-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001273937768 948692206 /nfs/dbraw/zinc/69/22/06/948692206.db2.gz XIAARDQNHXZTJC-MRXNPFEDSA-N 2 1 304.394 0.158 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157910 948915506 /nfs/dbraw/zinc/91/55/06/948915506.db2.gz XJCMFXCNWZQDAP-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157910 948915520 /nfs/dbraw/zinc/91/55/20/948915520.db2.gz XJCMFXCNWZQDAP-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390912045 949117453 /nfs/dbraw/zinc/11/74/53/949117453.db2.gz XRXRCWCQWPFVES-KRWDZBQOSA-N 2 1 315.417 0.617 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266110756 950379511 /nfs/dbraw/zinc/37/95/11/950379511.db2.gz OMAGZDGIJWHMHJ-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266110756 950379531 /nfs/dbraw/zinc/37/95/31/950379531.db2.gz OMAGZDGIJWHMHJ-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001279255611 950530515 /nfs/dbraw/zinc/53/05/15/950530515.db2.gz DITKQVCUBGDQIZ-UHFFFAOYSA-N 2 1 319.409 0.073 20 30 DCEDMP C=C(Cl)C[N@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001331161245 950978891 /nfs/dbraw/zinc/97/88/91/950978891.db2.gz NNYHSXRVYXKIDS-ZDUSSCGKSA-N 2 1 303.834 0.755 20 30 DCEDMP C=C(Cl)C[N@@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001331161245 950978909 /nfs/dbraw/zinc/97/89/09/950978909.db2.gz NNYHSXRVYXKIDS-ZDUSSCGKSA-N 2 1 303.834 0.755 20 30 DCEDMP C=C(Cl)C[NH+](C)CCOCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001331161245 950978930 /nfs/dbraw/zinc/97/89/30/950978930.db2.gz NNYHSXRVYXKIDS-ZDUSSCGKSA-N 2 1 303.834 0.755 20 30 DCEDMP C=C(Cl)C[NH+](C)CCOCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331161245 950978949 /nfs/dbraw/zinc/97/89/49/950978949.db2.gz NNYHSXRVYXKIDS-ZDUSSCGKSA-N 2 1 303.834 0.755 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001281461308 951509878 /nfs/dbraw/zinc/50/98/78/951509878.db2.gz HKIZVWKZDNJFNJ-HIFRSBDPSA-N 2 1 306.410 0.831 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001281612579 951561384 /nfs/dbraw/zinc/56/13/84/951561384.db2.gz CBILAXPOCWICJC-INIZCTEOSA-N 2 1 321.465 0.826 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001332341504 951596285 /nfs/dbraw/zinc/59/62/85/951596285.db2.gz PYEQCXFMYODUJU-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332438384 951646583 /nfs/dbraw/zinc/64/65/83/951646583.db2.gz RZGKMCWKMFEGMA-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001332649157 951743838 /nfs/dbraw/zinc/74/38/38/951743838.db2.gz ZDZZTPQIKQWDHG-OAHLLOKOSA-N 2 1 307.438 0.389 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001332649152 951744912 /nfs/dbraw/zinc/74/49/12/951744912.db2.gz YYTFGXQQZWEBAR-HNNXBMFYSA-N 2 1 309.454 0.942 20 30 DCEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001276116142 952921429 /nfs/dbraw/zinc/92/14/29/952921429.db2.gz IGCPGKQBWGQGJV-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001276116142 952921434 /nfs/dbraw/zinc/92/14/34/952921434.db2.gz IGCPGKQBWGQGJV-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001282832998 953690172 /nfs/dbraw/zinc/69/01/72/953690172.db2.gz LJMDGNQYUMRKKC-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001282832998 953690179 /nfs/dbraw/zinc/69/01/79/953690179.db2.gz LJMDGNQYUMRKKC-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001282885309 953719359 /nfs/dbraw/zinc/71/93/59/953719359.db2.gz KGXZBDIXRAOXEZ-LUKYLMHMSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001283032746 953938446 /nfs/dbraw/zinc/93/84/46/953938446.db2.gz QSBNIAIZHHVHPC-AJNGGQMLSA-N 2 1 322.453 0.256 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284492767 955126891 /nfs/dbraw/zinc/12/68/91/955126891.db2.gz MJPMLVUTNMCCCA-HOTGVXAUSA-N 2 1 309.454 0.655 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001284815945 955265915 /nfs/dbraw/zinc/26/59/15/955265915.db2.gz PMWDUBXFSKSEBZ-WLYUNCDWSA-N 2 1 322.453 0.209 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001480304065 955666674 /nfs/dbraw/zinc/66/66/74/955666674.db2.gz IPSIUVISAAYHBR-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001480304065 955666683 /nfs/dbraw/zinc/66/66/83/955666683.db2.gz IPSIUVISAAYHBR-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367579168 958102054 /nfs/dbraw/zinc/10/20/54/958102054.db2.gz KPHZYXPDFVYNRR-GHMZBOCLSA-N 2 1 320.231 0.056 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001376871018 959024919 /nfs/dbraw/zinc/02/49/19/959024919.db2.gz ZEHCFWKSVUMAIV-STQMWFEESA-N 2 1 301.818 0.508 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492257388 959763961 /nfs/dbraw/zinc/76/39/61/959763961.db2.gz OGYIUZZGHQMUMF-HIFRSBDPSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492257388 959763975 /nfs/dbraw/zinc/76/39/75/959763975.db2.gz OGYIUZZGHQMUMF-HIFRSBDPSA-N 2 1 322.453 0.067 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001316691378 960044253 /nfs/dbraw/zinc/04/42/53/960044253.db2.gz DFLBNCUWMBEJJM-ARFHVFGLSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001316846037 960107584 /nfs/dbraw/zinc/10/75/84/960107584.db2.gz VANYPTIBFDMTIC-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001379217171 962388087 /nfs/dbraw/zinc/38/80/87/962388087.db2.gz ANCBUZMRNCZYTM-HZPDHXFCSA-N 2 1 316.405 0.219 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001369328220 964753916 /nfs/dbraw/zinc/75/39/16/964753916.db2.gz JTPGDWMUOXGPFH-CYBMUJFWSA-N 2 1 315.845 0.682 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001448835058 1014064401 /nfs/dbraw/zinc/06/44/01/1014064401.db2.gz DXBSZPUVTLUAIR-CHWSQXEVSA-N 2 1 301.818 0.147 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001502573350 1015979035 /nfs/dbraw/zinc/97/90/35/1015979035.db2.gz NFERXSUNWYAXDU-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001425843059 1003172617 /nfs/dbraw/zinc/17/26/17/1003172617.db2.gz RNBNSPFNNPQEDY-CYBMUJFWSA-N 2 1 303.834 0.682 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001565497380 1012174443 /nfs/dbraw/zinc/17/44/43/1012174443.db2.gz LIIDXNYNYGPOFC-MRXNPFEDSA-N 2 1 306.454 0.973 20 30 DCEDMP COCC#CCN1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001506656279 1017441354 /nfs/dbraw/zinc/44/13/54/1017441354.db2.gz RLMSOZUANWPBDA-LSDHHAIUSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001506656279 1017441367 /nfs/dbraw/zinc/44/13/67/1017441367.db2.gz RLMSOZUANWPBDA-LSDHHAIUSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCOCC1 ZINC001479776169 1017738262 /nfs/dbraw/zinc/73/82/62/1017738262.db2.gz CGORPOFMGSEXNK-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCOCC1 ZINC001479776169 1017738274 /nfs/dbraw/zinc/73/82/74/1017738274.db2.gz CGORPOFMGSEXNK-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CCOCC1 ZINC001479776169 1017738283 /nfs/dbraw/zinc/73/82/83/1017738283.db2.gz CGORPOFMGSEXNK-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CCOCC1 ZINC001479776169 1017738297 /nfs/dbraw/zinc/73/82/97/1017738297.db2.gz CGORPOFMGSEXNK-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001479778086 1017740615 /nfs/dbraw/zinc/74/06/15/1017740615.db2.gz LSSRPYAOEFGELF-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001479778086 1017740635 /nfs/dbraw/zinc/74/06/35/1017740635.db2.gz LSSRPYAOEFGELF-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001479778086 1017740646 /nfs/dbraw/zinc/74/06/46/1017740646.db2.gz LSSRPYAOEFGELF-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC#CCOC)C1CC1 ZINC001480064832 1018175027 /nfs/dbraw/zinc/17/50/27/1018175027.db2.gz DDPDANJFYDOHFH-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500254752 1018350295 /nfs/dbraw/zinc/35/02/95/1018350295.db2.gz WXONXORXUBPQMR-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500254752 1018350307 /nfs/dbraw/zinc/35/03/07/1018350307.db2.gz WXONXORXUBPQMR-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](CC)CCO2)cc1 ZINC001495508468 1018549786 /nfs/dbraw/zinc/54/97/86/1018549786.db2.gz JTCBBXDJICZVTF-QGZVFWFLSA-N 2 1 315.417 0.746 20 30 DCEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC001495508468 1018549794 /nfs/dbraw/zinc/54/97/94/1018549794.db2.gz JTCBBXDJICZVTF-QGZVFWFLSA-N 2 1 315.417 0.746 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001500715204 1018606300 /nfs/dbraw/zinc/60/63/00/1018606300.db2.gz TVFHFZPWESPKEW-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001500715204 1018606304 /nfs/dbraw/zinc/60/63/04/1018606304.db2.gz TVFHFZPWESPKEW-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001500715204 1018606309 /nfs/dbraw/zinc/60/63/09/1018606309.db2.gz TVFHFZPWESPKEW-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480708871 1018793387 /nfs/dbraw/zinc/79/33/87/1018793387.db2.gz HYKYVTDPCRFUEF-GJZGRUSLSA-N 2 1 324.469 0.646 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001498306485 1018929978 /nfs/dbraw/zinc/92/99/78/1018929978.db2.gz QMDOYOVBTJKNRM-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498306485 1018929990 /nfs/dbraw/zinc/92/99/90/1018929990.db2.gz QMDOYOVBTJKNRM-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001498306485 1018930002 /nfs/dbraw/zinc/93/00/02/1018930002.db2.gz QMDOYOVBTJKNRM-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001501359494 1019093855 /nfs/dbraw/zinc/09/38/55/1019093855.db2.gz DKNBPXOLCOSLQF-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001501359494 1019093871 /nfs/dbraw/zinc/09/38/71/1019093871.db2.gz DKNBPXOLCOSLQF-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001501359494 1019093887 /nfs/dbraw/zinc/09/38/87/1019093887.db2.gz DKNBPXOLCOSLQF-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001501369862 1019104508 /nfs/dbraw/zinc/10/45/08/1019104508.db2.gz SSYDWVFDXAHOQB-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493211633 1019207583 /nfs/dbraw/zinc/20/75/83/1019207583.db2.gz RRTDGLOIEHSHLM-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001493211633 1019207593 /nfs/dbraw/zinc/20/75/93/1019207593.db2.gz RRTDGLOIEHSHLM-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001493211633 1019207602 /nfs/dbraw/zinc/20/76/02/1019207602.db2.gz RRTDGLOIEHSHLM-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001493380516 1019376651 /nfs/dbraw/zinc/37/66/51/1019376651.db2.gz SXPDZRXZPNRJHX-INIZCTEOSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC001502095052 1019708068 /nfs/dbraw/zinc/70/80/68/1019708068.db2.gz SNACXXYSJUHZNA-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001502095052 1019708083 /nfs/dbraw/zinc/70/80/83/1019708083.db2.gz SNACXXYSJUHZNA-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001496915170 1019758286 /nfs/dbraw/zinc/75/82/86/1019758286.db2.gz XDCIKCJMHQOFRE-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001494108096 1019986907 /nfs/dbraw/zinc/98/69/07/1019986907.db2.gz GGXNQAMSYKNDHE-UHFFFAOYSA-N 2 1 308.470 0.426 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCOC)CC1 ZINC001494198121 1020066717 /nfs/dbraw/zinc/06/67/17/1020066717.db2.gz MSZMXQUGAKNEPZ-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCOC)CC1 ZINC001494198121 1020066726 /nfs/dbraw/zinc/06/67/26/1020066726.db2.gz MSZMXQUGAKNEPZ-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCOC)CC1 ZINC001494198121 1020066737 /nfs/dbraw/zinc/06/67/37/1020066737.db2.gz MSZMXQUGAKNEPZ-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCOC)CC1 ZINC001494198121 1020066748 /nfs/dbraw/zinc/06/67/48/1020066748.db2.gz MSZMXQUGAKNEPZ-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCOC)CC1 ZINC001494198121 1020066752 /nfs/dbraw/zinc/06/67/52/1020066752.db2.gz MSZMXQUGAKNEPZ-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001494324275 1020129598 /nfs/dbraw/zinc/12/95/98/1020129598.db2.gz IPONMDGVYTUNFA-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001494324275 1020129603 /nfs/dbraw/zinc/12/96/03/1020129603.db2.gz IPONMDGVYTUNFA-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000264079335 238187884 /nfs/dbraw/zinc/18/78/84/238187884.db2.gz IEPOVHCPRLAUMR-UHFFFAOYSA-N 2 1 321.381 0.721 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000601317426 397052854 /nfs/dbraw/zinc/05/28/54/397052854.db2.gz LFOCSXKSZAULJV-OAHLLOKOSA-N 2 1 309.458 0.182 20 30 DCEDMP Cn1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1C#N ZINC000353669597 415621137 /nfs/dbraw/zinc/62/11/37/415621137.db2.gz DGJQRYRPNRWRHB-UHFFFAOYSA-N 2 1 317.437 0.979 20 30 DCEDMP C[C@H](C(=O)N(C)CCC#N)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000126411138 415874623 /nfs/dbraw/zinc/87/46/23/415874623.db2.gz QHNGNGXTBOMNQE-OAHLLOKOSA-N 2 1 323.485 0.705 20 30 DCEDMP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329476552 416172042 /nfs/dbraw/zinc/17/20/42/416172042.db2.gz UDVUHTFETACHJQ-OAHLLOKOSA-N 2 1 323.485 0.753 20 30 DCEDMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329476552 416172044 /nfs/dbraw/zinc/17/20/44/416172044.db2.gz UDVUHTFETACHJQ-OAHLLOKOSA-N 2 1 323.485 0.753 20 30 DCEDMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329476552 416172046 /nfs/dbraw/zinc/17/20/46/416172046.db2.gz UDVUHTFETACHJQ-OAHLLOKOSA-N 2 1 323.485 0.753 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419295900 416399470 /nfs/dbraw/zinc/39/94/70/416399470.db2.gz REBILKYAWKKUCO-GFCCVEGCSA-N 2 1 308.426 0.993 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000491375150 416597202 /nfs/dbraw/zinc/59/72/02/416597202.db2.gz URUDICBEAOZAJX-HNNXBMFYSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000491375150 416597205 /nfs/dbraw/zinc/59/72/05/416597205.db2.gz URUDICBEAOZAJX-HNNXBMFYSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000491375150 416597209 /nfs/dbraw/zinc/59/72/09/416597209.db2.gz URUDICBEAOZAJX-HNNXBMFYSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)CC1 ZINC000491040033 416583026 /nfs/dbraw/zinc/58/30/26/416583026.db2.gz RTJJGNYFLUCUAF-NVXWUHKLSA-N 2 1 307.438 0.247 20 30 DCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424154722 416619126 /nfs/dbraw/zinc/61/91/26/416619126.db2.gz LTUULTHHNOOUJG-ZIAGYGMSSA-N 2 1 323.441 0.066 20 30 DCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000564081915 416889682 /nfs/dbraw/zinc/88/96/82/416889682.db2.gz NRGWFCDHNDLAIV-SOUVJXGZSA-N 2 1 308.426 0.767 20 30 DCEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000564572832 416893053 /nfs/dbraw/zinc/89/30/53/416893053.db2.gz VTEJJMHKHKTVNX-ZDUSSCGKSA-N 3 1 316.409 0.793 20 30 DCEDMP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000575861386 417556405 /nfs/dbraw/zinc/55/64/05/417556405.db2.gz FEBKGZFAKYQYNI-SFHVURJKSA-N 2 1 316.449 0.988 20 30 DCEDMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000575861386 417556414 /nfs/dbraw/zinc/55/64/14/417556414.db2.gz FEBKGZFAKYQYNI-SFHVURJKSA-N 2 1 316.449 0.988 20 30 DCEDMP C=CC[C@]1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCC[NH2+]1 ZINC000662717552 417869986 /nfs/dbraw/zinc/86/99/86/417869986.db2.gz PCIWWGPSQZYWSV-BFYDXBDKSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCOCCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657658105 417888941 /nfs/dbraw/zinc/88/89/41/417888941.db2.gz MQFMZWDZCCBHQD-UHFFFAOYSA-N 2 1 305.426 0.911 20 30 DCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001263931799 1159145978 /nfs/dbraw/zinc/14/59/78/1159145978.db2.gz JRBIKAKHKXYQKB-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000352725925 336232574 /nfs/dbraw/zinc/23/25/74/336232574.db2.gz ROQLUTMALFXRCZ-UHFFFAOYSA-N 2 1 312.483 0.985 20 30 DCEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264132733 527811409 /nfs/dbraw/zinc/81/14/09/527811409.db2.gz YJYKLNWRUJBONV-CQSZACIVSA-N 2 1 317.441 0.255 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001672451576 1175109224 /nfs/dbraw/zinc/10/92/24/1175109224.db2.gz NWSLBXWHAXVOLG-INIZCTEOSA-N 2 1 308.470 0.827 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nccn4C3)[C@@H]2C1 ZINC000978411285 660534962 /nfs/dbraw/zinc/53/49/62/660534962.db2.gz QKLZDHFMJPFSMV-FPCVCCKLSA-N 2 1 312.417 0.763 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC001021285023 657547522 /nfs/dbraw/zinc/54/75/22/657547522.db2.gz AEOKGZCVSPVAOF-HMQMGEFJSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC001021285023 657547526 /nfs/dbraw/zinc/54/75/26/657547526.db2.gz AEOKGZCVSPVAOF-HMQMGEFJSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC001021285023 657547531 /nfs/dbraw/zinc/54/75/31/657547531.db2.gz AEOKGZCVSPVAOF-HMQMGEFJSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC001021285023 657547536 /nfs/dbraw/zinc/54/75/36/657547536.db2.gz AEOKGZCVSPVAOF-HMQMGEFJSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000939147978 665502860 /nfs/dbraw/zinc/50/28/60/665502860.db2.gz QKLHNTTWTMLLRQ-BBRMVZONSA-N 2 1 316.405 0.954 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C[NH+](C)C)OCC)C1 ZINC000924037833 657675268 /nfs/dbraw/zinc/67/52/68/657675268.db2.gz VLYWHRZMYCACTO-GJZGRUSLSA-N 2 1 310.442 0.350 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C[NH+](C)C)OCC)C1 ZINC000924037833 657675270 /nfs/dbraw/zinc/67/52/70/657675270.db2.gz VLYWHRZMYCACTO-GJZGRUSLSA-N 2 1 310.442 0.350 20 30 DCEDMP CC#CCN1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972553045 657766745 /nfs/dbraw/zinc/76/67/45/657766745.db2.gz XVCYOAZPPISLDA-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCOC)C1 ZINC001023421593 657849973 /nfs/dbraw/zinc/84/99/73/657849973.db2.gz CWKJLONUJMNKGI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCOC)C1 ZINC001023421593 657849985 /nfs/dbraw/zinc/84/99/85/657849985.db2.gz CWKJLONUJMNKGI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCOC)C1 ZINC001023421593 657849998 /nfs/dbraw/zinc/84/99/98/657849998.db2.gz CWKJLONUJMNKGI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCOC)C1 ZINC001023421593 657850009 /nfs/dbraw/zinc/85/00/09/657850009.db2.gz CWKJLONUJMNKGI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001023448911 657875995 /nfs/dbraw/zinc/87/59/95/657875995.db2.gz BEIZIOPLGNONCS-HUUCEWRRSA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640756 658090134 /nfs/dbraw/zinc/09/01/34/658090134.db2.gz MJBZOSXQMDNNGT-OAHLLOKOSA-N 2 1 317.437 0.520 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972674785 658226659 /nfs/dbraw/zinc/22/66/59/658226659.db2.gz SRFKTWMIXPTWCL-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972674785 658226664 /nfs/dbraw/zinc/22/66/64/658226664.db2.gz SRFKTWMIXPTWCL-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972674785 658226672 /nfs/dbraw/zinc/22/66/72/658226672.db2.gz SRFKTWMIXPTWCL-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972674785 658226676 /nfs/dbraw/zinc/22/66/76/658226676.db2.gz SRFKTWMIXPTWCL-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000972295192 658532719 /nfs/dbraw/zinc/53/27/19/658532719.db2.gz ROLJHNMRZNUSQC-DOTOQJQBSA-N 2 1 305.422 0.407 20 30 DCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970192194 658720568 /nfs/dbraw/zinc/72/05/68/658720568.db2.gz YDEWCYMDJWKCRL-XOSUWLCWSA-N 2 1 305.422 0.472 20 30 DCEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486510 659462036 /nfs/dbraw/zinc/46/20/36/659462036.db2.gz DDHDTZONMYUVKE-OAHLLOKOSA-N 2 1 310.442 0.429 20 30 DCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969367 659743874 /nfs/dbraw/zinc/74/38/74/659743874.db2.gz JBBCWLNEEIUKGN-HOTGVXAUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969367 659743877 /nfs/dbraw/zinc/74/38/77/659743877.db2.gz JBBCWLNEEIUKGN-HOTGVXAUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969367 659743879 /nfs/dbraw/zinc/74/38/79/659743879.db2.gz JBBCWLNEEIUKGN-HOTGVXAUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969367 659743883 /nfs/dbraw/zinc/74/38/83/659743883.db2.gz JBBCWLNEEIUKGN-HOTGVXAUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000977635294 659791931 /nfs/dbraw/zinc/79/19/31/659791931.db2.gz AJCFZGRWJNHIOM-ZBFHGGJFSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982557120 661566738 /nfs/dbraw/zinc/56/67/38/661566738.db2.gz KLVCGEBFSPPDGL-UOVPBQLFSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982557120 661566739 /nfs/dbraw/zinc/56/67/39/661566739.db2.gz KLVCGEBFSPPDGL-UOVPBQLFSA-N 2 1 303.450 0.988 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028545508 661604775 /nfs/dbraw/zinc/60/47/75/661604775.db2.gz HQWQOJSADGTSDH-CQSZACIVSA-N 2 1 305.426 0.682 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1cccn1C ZINC000262017924 661961587 /nfs/dbraw/zinc/96/15/87/661961587.db2.gz YEYPDFFIZRNLSA-MRXNPFEDSA-N 2 1 320.485 0.668 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)COC ZINC001029342539 662111534 /nfs/dbraw/zinc/11/15/34/662111534.db2.gz SZQZSPYFHBMPGR-NXOAAHMSSA-N 2 1 319.449 0.794 20 30 DCEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[NH+](CC(C)C)CC1 ZINC000262695210 662533034 /nfs/dbraw/zinc/53/30/34/662533034.db2.gz XFZPTHIMJPXGOY-OAHLLOKOSA-N 2 1 314.499 0.703 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)CC1 ZINC000729979240 662914768 /nfs/dbraw/zinc/91/47/68/662914768.db2.gz CHYCOQRNUSKTDZ-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@H](C)OC)CC1 ZINC001000790152 665928759 /nfs/dbraw/zinc/92/87/59/665928759.db2.gz GEMVXXUAMGNZQY-RDJZCZTQSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@H](C)OC)CC1 ZINC001000790152 665928762 /nfs/dbraw/zinc/92/87/62/665928762.db2.gz GEMVXXUAMGNZQY-RDJZCZTQSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H](C)OC)CC1 ZINC001000790152 665928764 /nfs/dbraw/zinc/92/87/64/665928764.db2.gz GEMVXXUAMGNZQY-RDJZCZTQSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H](C)OC)CC1 ZINC001000790152 665928766 /nfs/dbraw/zinc/92/87/66/665928766.db2.gz GEMVXXUAMGNZQY-RDJZCZTQSA-N 2 1 319.449 0.867 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000901322750 663340360 /nfs/dbraw/zinc/34/03/60/663340360.db2.gz RCVQBZNPOVVBLM-AWEZNQCLSA-N 2 1 311.426 0.590 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000901322750 663340363 /nfs/dbraw/zinc/34/03/63/663340363.db2.gz RCVQBZNPOVVBLM-AWEZNQCLSA-N 2 1 311.426 0.590 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941413468 665993704 /nfs/dbraw/zinc/99/37/04/665993704.db2.gz YIKCLJOKBHAEFW-NVXWUHKLSA-N 2 1 318.465 0.178 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941413468 665993706 /nfs/dbraw/zinc/99/37/06/665993706.db2.gz YIKCLJOKBHAEFW-NVXWUHKLSA-N 2 1 318.465 0.178 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001672004040 1157405956 /nfs/dbraw/zinc/40/59/56/1157405956.db2.gz RLHFBZKMDNYWOH-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001672004040 1157405959 /nfs/dbraw/zinc/40/59/59/1157405959.db2.gz RLHFBZKMDNYWOH-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001672004040 1157405962 /nfs/dbraw/zinc/40/59/62/1157405962.db2.gz RLHFBZKMDNYWOH-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913523650 664335020 /nfs/dbraw/zinc/33/50/20/664335020.db2.gz HKPFTNIYPKKGBB-JKSUJKDBSA-N 2 1 317.437 0.137 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCOCC1(C)C ZINC000170914953 664595534 /nfs/dbraw/zinc/59/55/34/664595534.db2.gz KRJZVFJLPPGZKN-CQSZACIVSA-N 2 1 311.474 0.486 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000914176267 664762391 /nfs/dbraw/zinc/76/23/91/664762391.db2.gz BTKNVPXNRBMFKR-UHFFFAOYSA-N 2 1 310.442 0.352 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001691085360 1157575330 /nfs/dbraw/zinc/57/53/30/1157575330.db2.gz DKSWSTJTXGSFIL-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](CC)OC)C1 ZINC001031741317 665396003 /nfs/dbraw/zinc/39/60/03/665396003.db2.gz WESFYYACOVHPDC-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](CC)OC)C1 ZINC001031741317 665396005 /nfs/dbraw/zinc/39/60/05/665396005.db2.gz WESFYYACOVHPDC-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031740720 665396135 /nfs/dbraw/zinc/39/61/35/665396135.db2.gz JVPRKLREECEUBE-WBVHZDCISA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031740720 665396137 /nfs/dbraw/zinc/39/61/37/665396137.db2.gz JVPRKLREECEUBE-WBVHZDCISA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001031742827 665399828 /nfs/dbraw/zinc/39/98/28/665399828.db2.gz SZQABUYTBKTKOH-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001031742827 665399831 /nfs/dbraw/zinc/39/98/31/665399831.db2.gz SZQABUYTBKTKOH-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000941438286 665998650 /nfs/dbraw/zinc/99/86/50/665998650.db2.gz OJZLPZZTIUVVME-UHFFFAOYSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000941438286 665998651 /nfs/dbraw/zinc/99/86/51/665998651.db2.gz OJZLPZZTIUVVME-UHFFFAOYSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000941571183 666021232 /nfs/dbraw/zinc/02/12/32/666021232.db2.gz NUHHJRHCYVDEJF-INIZCTEOSA-N 2 1 306.454 0.178 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001001461620 666054880 /nfs/dbraw/zinc/05/48/80/666054880.db2.gz LXWUZMBXLPQANV-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001461620 666054881 /nfs/dbraw/zinc/05/48/81/666054881.db2.gz LXWUZMBXLPQANV-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001461620 666054882 /nfs/dbraw/zinc/05/48/82/666054882.db2.gz LXWUZMBXLPQANV-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001461620 666054883 /nfs/dbraw/zinc/05/48/83/666054883.db2.gz LXWUZMBXLPQANV-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942056437 666103698 /nfs/dbraw/zinc/10/36/98/666103698.db2.gz HCHFMNDTDPKBDO-LSDHHAIUSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](C)OC)CC1 ZINC001003057316 666267281 /nfs/dbraw/zinc/26/72/81/666267281.db2.gz YAOJBTRRXMNAMH-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](C)OC)CC1 ZINC001003057316 666267282 /nfs/dbraw/zinc/26/72/82/666267282.db2.gz YAOJBTRRXMNAMH-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN1CCC(NC(=O)[C@H]2COCCN2CC2CCC2)CC1 ZINC001003378997 666303136 /nfs/dbraw/zinc/30/31/36/666303136.db2.gz YGXWQECEIMFFNK-QGZVFWFLSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005426467 666855343 /nfs/dbraw/zinc/85/53/43/666855343.db2.gz URRWXFWHTUZLRS-SJORKVTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001034044713 666906396 /nfs/dbraw/zinc/90/63/96/666906396.db2.gz DMWWKTDOASENOX-RDJZCZTQSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048899 666907585 /nfs/dbraw/zinc/90/75/85/666907585.db2.gz YIKMKDYVSOIIEZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048899 666907588 /nfs/dbraw/zinc/90/75/88/666907588.db2.gz YIKMKDYVSOIIEZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034048899 666907589 /nfs/dbraw/zinc/90/75/89/666907589.db2.gz YIKMKDYVSOIIEZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048899 666907592 /nfs/dbraw/zinc/90/75/92/666907592.db2.gz YIKMKDYVSOIIEZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005586078 667100857 /nfs/dbraw/zinc/10/08/57/667100857.db2.gz ULWJWDCRGUNSEG-GDBMZVCRSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005586078 667100861 /nfs/dbraw/zinc/10/08/61/667100861.db2.gz ULWJWDCRGUNSEG-GDBMZVCRSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001034693577 667111736 /nfs/dbraw/zinc/11/17/36/667111736.db2.gz DKWNNIVBZYGRCN-BFKWJSRZSA-N 2 1 317.433 0.500 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001035433572 667343397 /nfs/dbraw/zinc/34/33/97/667343397.db2.gz QMXASWRITNVDNO-OAHLLOKOSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001035433572 667343400 /nfs/dbraw/zinc/34/34/00/667343400.db2.gz QMXASWRITNVDNO-OAHLLOKOSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000884160486 667486697 /nfs/dbraw/zinc/48/66/97/667486697.db2.gz FNSMXZBLSVGPTG-CVEARBPZSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000884160486 667486699 /nfs/dbraw/zinc/48/66/99/667486699.db2.gz FNSMXZBLSVGPTG-CVEARBPZSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000884160486 667486702 /nfs/dbraw/zinc/48/67/02/667486702.db2.gz FNSMXZBLSVGPTG-CVEARBPZSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000884160486 667486704 /nfs/dbraw/zinc/48/67/04/667486704.db2.gz FNSMXZBLSVGPTG-CVEARBPZSA-N 2 1 322.453 0.494 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000884195687 667495016 /nfs/dbraw/zinc/49/50/16/667495016.db2.gz WGZPQVAXNMHVGV-QJNCVLDKSA-N 2 1 302.422 0.869 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000838621766 667701434 /nfs/dbraw/zinc/70/14/34/667701434.db2.gz AYFDAOLQURRASC-UHFFFAOYSA-N 2 1 310.442 0.040 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000838621766 667701437 /nfs/dbraw/zinc/70/14/37/667701437.db2.gz AYFDAOLQURRASC-UHFFFAOYSA-N 2 1 310.442 0.040 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000838621766 667701439 /nfs/dbraw/zinc/70/14/39/667701439.db2.gz AYFDAOLQURRASC-UHFFFAOYSA-N 2 1 310.442 0.040 20 30 DCEDMP C#CC[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000886353190 667758952 /nfs/dbraw/zinc/75/89/52/667758952.db2.gz DFAKUXFOKMPBQU-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000886353190 667758955 /nfs/dbraw/zinc/75/89/55/667758955.db2.gz DFAKUXFOKMPBQU-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000886353190 667758957 /nfs/dbraw/zinc/75/89/57/667758957.db2.gz DFAKUXFOKMPBQU-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000890371192 668123745 /nfs/dbraw/zinc/12/37/45/668123745.db2.gz OQPHRXGDZFXLGP-GDBMZVCRSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000890371192 668123748 /nfs/dbraw/zinc/12/37/48/668123748.db2.gz OQPHRXGDZFXLGP-GDBMZVCRSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000890371192 668123750 /nfs/dbraw/zinc/12/37/50/668123750.db2.gz OQPHRXGDZFXLGP-GDBMZVCRSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000890371192 668123752 /nfs/dbraw/zinc/12/37/52/668123752.db2.gz OQPHRXGDZFXLGP-GDBMZVCRSA-N 2 1 304.438 0.962 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876783572 668510511 /nfs/dbraw/zinc/51/05/11/668510511.db2.gz HFZXCHVYBOOQDI-UONOGXRCSA-N 2 1 314.861 0.695 20 30 DCEDMP C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000878230409 668702034 /nfs/dbraw/zinc/70/20/34/668702034.db2.gz KULNFZJMXDLOPH-AWEZNQCLSA-N 2 1 311.426 0.494 20 30 DCEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCCC#N)[C@@H](C)C1 ZINC000787307017 669366712 /nfs/dbraw/zinc/36/67/12/669366712.db2.gz ZXIKQGLVRNSFII-GJZGRUSLSA-N 2 1 310.442 0.743 20 30 DCEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCCC#N)[C@@H](C)C1 ZINC000787307017 669366719 /nfs/dbraw/zinc/36/67/19/669366719.db2.gz ZXIKQGLVRNSFII-GJZGRUSLSA-N 2 1 310.442 0.743 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000798280172 669995355 /nfs/dbraw/zinc/99/53/55/669995355.db2.gz LGCAQZLFSBTMOE-UHFFFAOYSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CC[NH+](CC)CC2)C1 ZINC000949118489 670263400 /nfs/dbraw/zinc/26/34/00/670263400.db2.gz YJANUUKTXKNHKQ-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CC[NH+](CC)CC2)C1 ZINC000949118489 670263403 /nfs/dbraw/zinc/26/34/03/670263403.db2.gz YJANUUKTXKNHKQ-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854332824 670547985 /nfs/dbraw/zinc/54/79/85/670547985.db2.gz JXCDRDUZVPNNSD-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854332824 670547992 /nfs/dbraw/zinc/54/79/92/670547992.db2.gz JXCDRDUZVPNNSD-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[C@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000854541715 670585102 /nfs/dbraw/zinc/58/51/02/670585102.db2.gz KETSAUGQTFYIPQ-MRXNPFEDSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000855345499 670700613 /nfs/dbraw/zinc/70/06/13/670700613.db2.gz CBBUQTHVLTZWHU-INIZCTEOSA-N 3 1 322.497 0.720 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000855345499 670700618 /nfs/dbraw/zinc/70/06/18/670700618.db2.gz CBBUQTHVLTZWHU-INIZCTEOSA-N 3 1 322.497 0.720 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1ncccc1C#N ZINC000848989424 670746101 /nfs/dbraw/zinc/74/61/01/670746101.db2.gz HUWYUWWFZPADHY-CQSZACIVSA-N 2 1 315.425 0.963 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000852827684 671168620 /nfs/dbraw/zinc/16/86/20/671168620.db2.gz NIMCUIPPTFCLDA-JFUSQASVSA-N 2 1 323.194 0.677 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2conc2C)C1 ZINC001020250625 693745556 /nfs/dbraw/zinc/74/55/56/693745556.db2.gz JYYTYBZHRPBTNW-JYJNAYRXSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2conc2C)C1 ZINC001020250625 693745558 /nfs/dbraw/zinc/74/55/58/693745558.db2.gz JYYTYBZHRPBTNW-JYJNAYRXSA-N 2 1 316.405 0.817 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020288031 693758997 /nfs/dbraw/zinc/75/89/97/693758997.db2.gz WIBVQVLCSKAOEY-FDYHWXHSSA-N 2 1 301.818 0.695 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020288031 693759002 /nfs/dbraw/zinc/75/90/02/693759002.db2.gz WIBVQVLCSKAOEY-FDYHWXHSSA-N 2 1 301.818 0.695 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@@H](C)O)CC1 ZINC001024812400 693836089 /nfs/dbraw/zinc/83/60/89/693836089.db2.gz OJHNPWQBAFMATF-NVXWUHKLSA-N 2 1 321.465 0.683 20 30 DCEDMP CC(C)COCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303783847 685206741 /nfs/dbraw/zinc/20/67/41/685206741.db2.gz ONSQDEOGNIPEHX-UHFFFAOYSA-N 2 1 300.447 0.676 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@@H]1CCOC1 ZINC000304761833 685211639 /nfs/dbraw/zinc/21/16/39/685211639.db2.gz UYSGLZSNGIUSKL-GJZGRUSLSA-N 2 1 312.458 0.818 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CN1CCOCC1 ZINC000304741357 685212146 /nfs/dbraw/zinc/21/21/46/685212146.db2.gz CBDJKTVQQZYJAP-LSDHHAIUSA-N 2 1 311.474 0.343 20 30 DCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304741357 685212151 /nfs/dbraw/zinc/21/21/51/685212151.db2.gz CBDJKTVQQZYJAP-LSDHHAIUSA-N 3 1 311.474 0.343 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304741357 685212154 /nfs/dbraw/zinc/21/21/54/685212154.db2.gz CBDJKTVQQZYJAP-LSDHHAIUSA-N 3 1 311.474 0.343 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC000958724590 687877336 /nfs/dbraw/zinc/87/73/36/687877336.db2.gz QMQMDYXJNNMNSC-SJORKVTESA-N 2 1 319.449 0.317 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729880 687882858 /nfs/dbraw/zinc/88/28/58/687882858.db2.gz YZLJVMGIMVKFFU-WBVHZDCISA-N 2 1 317.433 0.957 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](CC)OC)CC1 ZINC001039042866 694284514 /nfs/dbraw/zinc/28/45/14/694284514.db2.gz YHPRRXATQMMBQM-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706745 692407470 /nfs/dbraw/zinc/40/74/70/692407470.db2.gz XMLZGMDQCBMESS-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706745 692407471 /nfs/dbraw/zinc/40/74/71/692407471.db2.gz XMLZGMDQCBMESS-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001018985961 693307295 /nfs/dbraw/zinc/30/72/95/693307295.db2.gz NWEZOUCZDPZJQB-IKGGRYGDSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001018985961 693307301 /nfs/dbraw/zinc/30/73/01/693307301.db2.gz NWEZOUCZDPZJQB-IKGGRYGDSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001018985650 693307422 /nfs/dbraw/zinc/30/74/22/693307422.db2.gz WZSOWVFQSAUKAC-JYJNAYRXSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001018985650 693307428 /nfs/dbraw/zinc/30/74/28/693307428.db2.gz WZSOWVFQSAUKAC-JYJNAYRXSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C(C)C)CCCO2)CC1 ZINC001073899068 694798530 /nfs/dbraw/zinc/79/85/30/694798530.db2.gz KONLYOBXERQSDL-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001074385642 694883143 /nfs/dbraw/zinc/88/31/43/694883143.db2.gz VNHYEYYVKQJYQS-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001074385642 694883145 /nfs/dbraw/zinc/88/31/45/694883145.db2.gz VNHYEYYVKQJYQS-HOTGVXAUSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001074837932 694925958 /nfs/dbraw/zinc/92/59/58/694925958.db2.gz QUMVOFWVXLEWJO-NOLJZWGESA-N 2 1 300.406 0.966 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC#CC)C[C@H]32)CC1 ZINC001076605469 695032294 /nfs/dbraw/zinc/03/22/94/695032294.db2.gz BPFKXTQFXXINCL-ZWKOTPCHSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001570439835 1162520670 /nfs/dbraw/zinc/52/06/70/1162520670.db2.gz GAGFJNNZMAZMPG-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001570439835 1162520678 /nfs/dbraw/zinc/52/06/78/1162520678.db2.gz GAGFJNNZMAZMPG-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCOC)C1 ZINC001570843961 1162631656 /nfs/dbraw/zinc/63/16/56/1162631656.db2.gz SWUZWHMMXVXMCF-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCOC)C1 ZINC001570843961 1162631662 /nfs/dbraw/zinc/63/16/62/1162631662.db2.gz SWUZWHMMXVXMCF-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001570952547 1162653696 /nfs/dbraw/zinc/65/36/96/1162653696.db2.gz OSVHZNHFALSLBB-OSYLJGHBSA-N 2 1 319.449 0.272 20 30 DCEDMP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001570987537 1162663393 /nfs/dbraw/zinc/66/33/93/1162663393.db2.gz SDOGDDANRYPGEQ-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001571606618 1162856755 /nfs/dbraw/zinc/85/67/55/1162856755.db2.gz RLDVGEJEWKBBDE-HOCLYGCPSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001571606618 1162856765 /nfs/dbraw/zinc/85/67/65/1162856765.db2.gz RLDVGEJEWKBBDE-HOCLYGCPSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001691106038 1157583030 /nfs/dbraw/zinc/58/30/30/1157583030.db2.gz PHZQJOHXGVAXQE-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691145854 1157594410 /nfs/dbraw/zinc/59/44/10/1157594410.db2.gz IWXVCPCMJHNYCY-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001754631722 1157810207 /nfs/dbraw/zinc/81/02/07/1157810207.db2.gz ZVBICJFKXHHSEF-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001571698631 1162912087 /nfs/dbraw/zinc/91/20/87/1162912087.db2.gz MCWZJRGXDYTOBX-QGZVFWFLSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001571698631 1162912093 /nfs/dbraw/zinc/91/20/93/1162912093.db2.gz MCWZJRGXDYTOBX-QGZVFWFLSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001571698631 1162912100 /nfs/dbraw/zinc/91/21/00/1162912100.db2.gz MCWZJRGXDYTOBX-QGZVFWFLSA-N 2 1 319.449 0.726 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691535294 1158317030 /nfs/dbraw/zinc/31/70/30/1158317030.db2.gz DOVILJFGADSACY-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](C)CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001691606325 1158354339 /nfs/dbraw/zinc/35/43/39/1158354339.db2.gz AUOJNZSICISURX-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001263931799 1159145976 /nfs/dbraw/zinc/14/59/76/1159145976.db2.gz JRBIKAKHKXYQKB-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001565867438 1159917706 /nfs/dbraw/zinc/91/77/06/1159917706.db2.gz SEIRLQDGKKOHEO-BZUAXINKSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566036068 1159950280 /nfs/dbraw/zinc/95/02/80/1159950280.db2.gz UCKLZCTZYNEQIX-CVEARBPZSA-N 2 1 309.454 0.491 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC#CCOC)CC1 ZINC001566613840 1160092661 /nfs/dbraw/zinc/09/26/61/1160092661.db2.gz RGVUWUPNVMFZIB-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001566890459 1160177828 /nfs/dbraw/zinc/17/78/28/1160177828.db2.gz RRFPJILZMWLISF-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001566965968 1160196707 /nfs/dbraw/zinc/19/67/07/1160196707.db2.gz PHDPIAXKLGUQRJ-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001567352602 1160321904 /nfs/dbraw/zinc/32/19/04/1160321904.db2.gz SJSYIBHRGNZOMN-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001567352602 1160321910 /nfs/dbraw/zinc/32/19/10/1160321910.db2.gz SJSYIBHRGNZOMN-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567352602 1160321915 /nfs/dbraw/zinc/32/19/15/1160321915.db2.gz SJSYIBHRGNZOMN-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001567352602 1160321919 /nfs/dbraw/zinc/32/19/19/1160321919.db2.gz SJSYIBHRGNZOMN-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001567384808 1160341514 /nfs/dbraw/zinc/34/15/14/1160341514.db2.gz ZJZXCNCJOMQIBP-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001567384808 1160341522 /nfs/dbraw/zinc/34/15/22/1160341522.db2.gz ZJZXCNCJOMQIBP-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001567384808 1160341526 /nfs/dbraw/zinc/34/15/26/1160341526.db2.gz ZJZXCNCJOMQIBP-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001567384808 1160341532 /nfs/dbraw/zinc/34/15/32/1160341532.db2.gz ZJZXCNCJOMQIBP-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567765177 1160473898 /nfs/dbraw/zinc/47/38/98/1160473898.db2.gz IPONMDGVYTUNFA-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567765177 1160473902 /nfs/dbraw/zinc/47/39/02/1160473902.db2.gz IPONMDGVYTUNFA-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569896174 1161303369 /nfs/dbraw/zinc/30/33/69/1161303369.db2.gz ZEERFAFFZFQZGL-ZBFHGGJFSA-N 2 1 315.433 0.795 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569896174 1161303377 /nfs/dbraw/zinc/30/33/77/1161303377.db2.gz ZEERFAFFZFQZGL-ZBFHGGJFSA-N 2 1 315.433 0.795 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001569950666 1161344408 /nfs/dbraw/zinc/34/44/08/1161344408.db2.gz QKCQWFXJSIOESR-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001570135776 1161430931 /nfs/dbraw/zinc/43/09/31/1161430931.db2.gz ONOBFDSWOMVGCO-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001570135776 1161430934 /nfs/dbraw/zinc/43/09/34/1161430934.db2.gz ONOBFDSWOMVGCO-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001570285178 1161541539 /nfs/dbraw/zinc/54/15/39/1161541539.db2.gz AKJQFEQLOZZDGX-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001570291194 1161548457 /nfs/dbraw/zinc/54/84/57/1161548457.db2.gz MPNPKZFGDAIBJN-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001646149803 1172274248 /nfs/dbraw/zinc/27/42/48/1172274248.db2.gz CEOHBKHUMOTOGV-GQGDVANPSA-N 2 1 304.438 0.924 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001656201154 1173851299 /nfs/dbraw/zinc/85/12/99/1173851299.db2.gz QRERSSIHNHGMLZ-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCOCC=C)C1 ZINC001662646412 1174226955 /nfs/dbraw/zinc/22/69/55/1174226955.db2.gz QOJKKFWYTXKGLD-SJORKVTESA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCOCC=C)C1 ZINC001662646412 1174226965 /nfs/dbraw/zinc/22/69/65/1174226965.db2.gz QOJKKFWYTXKGLD-SJORKVTESA-N 2 1 319.449 0.725 20 30 DCEDMP C#CCC[C@@H](O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001663181691 1174274029 /nfs/dbraw/zinc/27/40/29/1174274029.db2.gz ZMLWVSUIEDPMMN-OAHLLOKOSA-N 2 1 303.410 0.092 20 30 DCEDMP COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001664869287 1174468268 /nfs/dbraw/zinc/46/82/68/1174468268.db2.gz VMNCBGUXVLMEQN-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001664869287 1174468270 /nfs/dbraw/zinc/46/82/70/1174468270.db2.gz VMNCBGUXVLMEQN-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001664869287 1174468271 /nfs/dbraw/zinc/46/82/71/1174468271.db2.gz VMNCBGUXVLMEQN-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001671867543 1175040141 /nfs/dbraw/zinc/04/01/41/1175040141.db2.gz DHGLDUFQLRFUNW-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001671867543 1175040145 /nfs/dbraw/zinc/04/01/45/1175040145.db2.gz DHGLDUFQLRFUNW-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001671957688 1175048407 /nfs/dbraw/zinc/04/84/07/1175048407.db2.gz NCBUCBFRIDAZSA-GASCZTMLSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001673700454 1175225967 /nfs/dbraw/zinc/22/59/67/1175225967.db2.gz XWKSUDJEGGLLSI-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001676423835 1175445144 /nfs/dbraw/zinc/44/51/44/1175445144.db2.gz KJPKOGYGRDNUBH-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001676959272 1175507630 /nfs/dbraw/zinc/50/76/30/1175507630.db2.gz UEUJSGXNEFEMDY-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001677004322 1175512677 /nfs/dbraw/zinc/51/26/77/1175512677.db2.gz SMBNQOTYNHPMRA-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001677043722 1175514624 /nfs/dbraw/zinc/51/46/24/1175514624.db2.gz UMBJIMOOVPWEOH-AWEZNQCLSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001677160347 1175539433 /nfs/dbraw/zinc/53/94/33/1175539433.db2.gz FBHAHSDAASUVEK-GDBMZVCRSA-N 2 1 320.437 0.773 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001688900419 1176650925 /nfs/dbraw/zinc/65/09/25/1176650925.db2.gz JDJMPWLAPSQVQA-KBXIAJHMSA-N 2 1 322.453 0.256 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001688900420 1176651278 /nfs/dbraw/zinc/65/12/78/1176651278.db2.gz JDJMPWLAPSQVQA-XQLPTFJDSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001689466381 1176908801 /nfs/dbraw/zinc/90/88/01/1176908801.db2.gz KNLCVIKRVIDECT-KKUMJFAQSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001689466381 1176908807 /nfs/dbraw/zinc/90/88/07/1176908807.db2.gz KNLCVIKRVIDECT-KKUMJFAQSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001689834654 1177085071 /nfs/dbraw/zinc/08/50/71/1177085071.db2.gz SEDKLGWMZGQVKG-UHFFFAOYSA-N 2 1 310.442 0.069 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001690078222 1177163668 /nfs/dbraw/zinc/16/36/68/1177163668.db2.gz MBBGHPSMKULLKX-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001690078222 1177163670 /nfs/dbraw/zinc/16/36/70/1177163670.db2.gz MBBGHPSMKULLKX-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001690448121 1177247168 /nfs/dbraw/zinc/24/71/68/1177247168.db2.gz DRMULJSKRKQWFO-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001690448121 1177247178 /nfs/dbraw/zinc/24/71/78/1177247178.db2.gz DRMULJSKRKQWFO-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001692221478 1177449530 /nfs/dbraw/zinc/44/95/30/1177449530.db2.gz QSEGMHKSCSGPQD-PMPSAXMXSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001692221478 1177449533 /nfs/dbraw/zinc/44/95/33/1177449533.db2.gz QSEGMHKSCSGPQD-PMPSAXMXSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001692221478 1177449536 /nfs/dbraw/zinc/44/95/36/1177449536.db2.gz QSEGMHKSCSGPQD-PMPSAXMXSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001692232815 1177452870 /nfs/dbraw/zinc/45/28/70/1177452870.db2.gz XIDBRHUYYHBHTA-XHSDSOJGSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001692351744 1177491438 /nfs/dbraw/zinc/49/14/38/1177491438.db2.gz AHGJIISYQCZOIM-HNNXBMFYSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001692351744 1177491441 /nfs/dbraw/zinc/49/14/41/1177491441.db2.gz AHGJIISYQCZOIM-HNNXBMFYSA-N 2 1 322.453 0.162 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699047438 1177796344 /nfs/dbraw/zinc/79/63/44/1177796344.db2.gz LKHTWXRLFIGPOA-NVXWUHKLSA-N 2 1 321.465 0.731 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001699474048 1178153570 /nfs/dbraw/zinc/15/35/70/1178153570.db2.gz HYVUCDIQFFMPRV-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001700159554 1178506843 /nfs/dbraw/zinc/50/68/43/1178506843.db2.gz IFVDTPDVJIYPMS-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001700231961 1178542799 /nfs/dbraw/zinc/54/27/99/1178542799.db2.gz KLBIWUXUTHWGMQ-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC001700925524 1178804777 /nfs/dbraw/zinc/80/47/77/1178804777.db2.gz CDMUHQJBNORROD-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC001700925524 1178804785 /nfs/dbraw/zinc/80/47/85/1178804785.db2.gz CDMUHQJBNORROD-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCC(=C)C ZINC001700965751 1178848250 /nfs/dbraw/zinc/84/82/50/1178848250.db2.gz ZQVMCGPJQIZNDU-SJORKVTESA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCC(=C)C ZINC001700965751 1178848255 /nfs/dbraw/zinc/84/82/55/1178848255.db2.gz ZQVMCGPJQIZNDU-SJORKVTESA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC(=C)C ZINC001700965751 1178848260 /nfs/dbraw/zinc/84/82/60/1178848260.db2.gz ZQVMCGPJQIZNDU-SJORKVTESA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC(=C)C ZINC001700965751 1178848267 /nfs/dbraw/zinc/84/82/67/1178848267.db2.gz ZQVMCGPJQIZNDU-SJORKVTESA-N 2 1 321.465 0.801 20 30 DCEDMP C#CCC[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001700980589 1178858422 /nfs/dbraw/zinc/85/84/22/1178858422.db2.gz MAWSEENVHSEFFS-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001700980589 1178858431 /nfs/dbraw/zinc/85/84/31/1178858431.db2.gz MAWSEENVHSEFFS-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001700980589 1178858443 /nfs/dbraw/zinc/85/84/43/1178858443.db2.gz MAWSEENVHSEFFS-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001700980589 1178858454 /nfs/dbraw/zinc/85/84/54/1178858454.db2.gz MAWSEENVHSEFFS-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001701056853 1178911745 /nfs/dbraw/zinc/91/17/45/1178911745.db2.gz VLCJFVKBLUOLQP-CQSZACIVSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001701056853 1178911747 /nfs/dbraw/zinc/91/17/47/1178911747.db2.gz VLCJFVKBLUOLQP-CQSZACIVSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001707258961 1180451296 /nfs/dbraw/zinc/45/12/96/1180451296.db2.gz USKHKCMLCDXLIW-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001707258961 1180451298 /nfs/dbraw/zinc/45/12/98/1180451298.db2.gz USKHKCMLCDXLIW-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713134870 1180691875 /nfs/dbraw/zinc/69/18/75/1180691875.db2.gz WJTYBGRNEBFQSJ-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713293509 1180754126 /nfs/dbraw/zinc/75/41/26/1180754126.db2.gz ZNZVZQYOPBVGMP-NFOMZHRRSA-N 2 1 322.453 0.257 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713321449 1180767969 /nfs/dbraw/zinc/76/79/69/1180767969.db2.gz PFIPBLMLNMNNDI-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)C[C@H](C)OC)CC1 ZINC001713497118 1180871397 /nfs/dbraw/zinc/87/13/97/1180871397.db2.gz DVNRSZXCHZWNQS-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001713684922 1181014618 /nfs/dbraw/zinc/01/46/18/1181014618.db2.gz RNQJPFUBLITXPU-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001713684922 1181014621 /nfs/dbraw/zinc/01/46/21/1181014621.db2.gz RNQJPFUBLITXPU-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001713744195 1181039657 /nfs/dbraw/zinc/03/96/57/1181039657.db2.gz LFGFMLCMJWMFNT-UHFFFAOYSA-N 2 1 320.481 0.428 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714093208 1181240515 /nfs/dbraw/zinc/24/05/15/1181240515.db2.gz CMHLFNSGBLXORH-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714610993 1181440246 /nfs/dbraw/zinc/44/02/46/1181440246.db2.gz VPHVZARVOOEKQA-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001714668395 1181467844 /nfs/dbraw/zinc/46/78/44/1181467844.db2.gz CWKJNPFLQFPVPA-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001715714983 1181953357 /nfs/dbraw/zinc/95/33/57/1181953357.db2.gz OSHXXPWUOPJISL-LSDHHAIUSA-N 2 1 322.453 0.095 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001715832796 1182038090 /nfs/dbraw/zinc/03/80/90/1182038090.db2.gz JYJIWJBSYLLIFC-DSLCMKTCSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001716224382 1182265084 /nfs/dbraw/zinc/26/50/84/1182265084.db2.gz DPWONVOYVACYCA-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001716920538 1182574080 /nfs/dbraw/zinc/57/40/80/1182574080.db2.gz XRXHEHWDGKVYQR-FUHWJXTLSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716920538 1182574083 /nfs/dbraw/zinc/57/40/83/1182574083.db2.gz XRXHEHWDGKVYQR-FUHWJXTLSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716920538 1182574087 /nfs/dbraw/zinc/57/40/87/1182574087.db2.gz XRXHEHWDGKVYQR-FUHWJXTLSA-N 2 1 319.449 0.580 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001717014550 1182622576 /nfs/dbraw/zinc/62/25/76/1182622576.db2.gz WQRZEDPNVVIUTO-IYBDPMFKSA-N 2 1 305.422 0.122 20 30 DCEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001717190541 1182722850 /nfs/dbraw/zinc/72/28/50/1182722850.db2.gz VTHRQBSPARWABX-INIZCTEOSA-N 2 1 321.469 0.460 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001717287554 1182768018 /nfs/dbraw/zinc/76/80/18/1182768018.db2.gz OFHKVTDASRSBFU-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001717287555 1182768478 /nfs/dbraw/zinc/76/84/78/1182768478.db2.gz OFHKVTDASRSBFU-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001717353147 1182797372 /nfs/dbraw/zinc/79/73/72/1182797372.db2.gz CPIZHUJPWWYLBT-AWEZNQCLSA-N 2 1 318.421 0.555 20 30 DCEDMP CC#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001717520271 1182879188 /nfs/dbraw/zinc/87/91/88/1182879188.db2.gz HSSJCBIQIRRWHY-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001717604332 1182920005 /nfs/dbraw/zinc/92/00/05/1182920005.db2.gz QMTSCHOVEWRXJQ-PHZGNYQRSA-N 2 1 307.438 0.579 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001717604332 1182920008 /nfs/dbraw/zinc/92/00/08/1182920008.db2.gz QMTSCHOVEWRXJQ-PHZGNYQRSA-N 2 1 307.438 0.579 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001717939738 1183077237 /nfs/dbraw/zinc/07/72/37/1183077237.db2.gz NGPLCZKXSXETFQ-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001723514531 1184321800 /nfs/dbraw/zinc/32/18/00/1184321800.db2.gz HVHLXAOAWBGVKN-AWEZNQCLSA-N 2 1 322.453 0.400 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001723874544 1184357416 /nfs/dbraw/zinc/35/74/16/1184357416.db2.gz LTGZHZJFIVATLX-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001724342191 1184410143 /nfs/dbraw/zinc/41/01/43/1184410143.db2.gz FGFAEQYYNKPDTC-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001724342191 1184410145 /nfs/dbraw/zinc/41/01/45/1184410145.db2.gz FGFAEQYYNKPDTC-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001724342191 1184410149 /nfs/dbraw/zinc/41/01/49/1184410149.db2.gz FGFAEQYYNKPDTC-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001724342191 1184410151 /nfs/dbraw/zinc/41/01/51/1184410151.db2.gz FGFAEQYYNKPDTC-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724401194 1184432576 /nfs/dbraw/zinc/43/25/76/1184432576.db2.gz IZGHMFAMBFXFDM-SFHVURJKSA-N 2 1 319.449 0.439 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724430634 1184441253 /nfs/dbraw/zinc/44/12/53/1184441253.db2.gz QDNOKWXCACIEEV-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@H](C)COC ZINC001724854770 1184592784 /nfs/dbraw/zinc/59/27/84/1184592784.db2.gz ZMOAPUTXTWNDOX-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@H](C)COC ZINC001724854770 1184592789 /nfs/dbraw/zinc/59/27/89/1184592789.db2.gz ZMOAPUTXTWNDOX-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)COC ZINC001724854770 1184592795 /nfs/dbraw/zinc/59/27/95/1184592795.db2.gz ZMOAPUTXTWNDOX-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)COC ZINC001724854770 1184592798 /nfs/dbraw/zinc/59/27/98/1184592798.db2.gz ZMOAPUTXTWNDOX-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001725206965 1184724800 /nfs/dbraw/zinc/72/48/00/1184724800.db2.gz GAMQMWHOBABPJW-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001731508662 1185367666 /nfs/dbraw/zinc/36/76/66/1185367666.db2.gz OXUPUUJIVCPKNB-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001731508663 1185368161 /nfs/dbraw/zinc/36/81/61/1185368161.db2.gz OXUPUUJIVCPKNB-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCO)C1 ZINC001732069778 1185658580 /nfs/dbraw/zinc/65/85/80/1185658580.db2.gz BEXLYXQUZZZQAN-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCO)C1 ZINC001732069778 1185658583 /nfs/dbraw/zinc/65/85/83/1185658583.db2.gz BEXLYXQUZZZQAN-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCO)C1 ZINC001732069778 1185658586 /nfs/dbraw/zinc/65/85/86/1185658586.db2.gz BEXLYXQUZZZQAN-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCO)C1 ZINC001732069778 1185658593 /nfs/dbraw/zinc/65/85/93/1185658593.db2.gz BEXLYXQUZZZQAN-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732419353 1185809558 /nfs/dbraw/zinc/80/95/58/1185809558.db2.gz LRJLSOVWFUUKSI-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCOCC=C)CC1 ZINC001733237888 1186197119 /nfs/dbraw/zinc/19/71/19/1186197119.db2.gz QBJLLYGYHYCGJK-QGZVFWFLSA-N 2 1 319.449 0.725 20 30 DCEDMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001733373793 1186245107 /nfs/dbraw/zinc/24/51/07/1186245107.db2.gz JUQVUZDMPQSLDE-OAHLLOKOSA-N 2 1 309.454 0.635 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001733481154 1186288249 /nfs/dbraw/zinc/28/82/49/1186288249.db2.gz ZPOHJYILAXYGGS-DOTOQJQBSA-N 2 1 307.438 0.457 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001733564629 1186334675 /nfs/dbraw/zinc/33/46/75/1186334675.db2.gz HYVXSLMIQSTPMX-BRWVUGGUSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001733564629 1186334680 /nfs/dbraw/zinc/33/46/80/1186334680.db2.gz HYVXSLMIQSTPMX-BRWVUGGUSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC1CCC1 ZINC001734519638 1186674351 /nfs/dbraw/zinc/67/43/51/1186674351.db2.gz SWEBLNGKYNRCSK-HOTGVXAUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC1CCC1 ZINC001734519638 1186674353 /nfs/dbraw/zinc/67/43/53/1186674353.db2.gz SWEBLNGKYNRCSK-HOTGVXAUSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001752790408 1188441421 /nfs/dbraw/zinc/44/14/21/1188441421.db2.gz XXHREWLKOXRJPF-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001752921486 1188462393 /nfs/dbraw/zinc/46/23/93/1188462393.db2.gz SKYWHRNETBIVAB-ZIAGYGMSSA-N 2 1 310.442 0.208 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001752997824 1188475375 /nfs/dbraw/zinc/47/53/75/1188475375.db2.gz YEMVYAKPPBERFT-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001753052779 1188485964 /nfs/dbraw/zinc/48/59/64/1188485964.db2.gz IAPXOPABFFEVEU-CYBMUJFWSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001753052779 1188485967 /nfs/dbraw/zinc/48/59/67/1188485967.db2.gz IAPXOPABFFEVEU-CYBMUJFWSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C[C@@H]1CCOC1 ZINC001753083654 1188494482 /nfs/dbraw/zinc/49/44/82/1188494482.db2.gz MNYDJBAKRLQLDB-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C[C@@H]1CCOC1 ZINC001753083654 1188494479 /nfs/dbraw/zinc/49/44/79/1188494479.db2.gz MNYDJBAKRLQLDB-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@@H]1CCOC1 ZINC001753083654 1188494486 /nfs/dbraw/zinc/49/44/86/1188494486.db2.gz MNYDJBAKRLQLDB-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@@H]1CCOC1 ZINC001753083654 1188494489 /nfs/dbraw/zinc/49/44/89/1188494489.db2.gz MNYDJBAKRLQLDB-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001753340167 1188567460 /nfs/dbraw/zinc/56/74/60/1188567460.db2.gz ZAMPSWVHIKABLC-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001754414323 1188849685 /nfs/dbraw/zinc/84/96/85/1188849685.db2.gz ZZKCACFMTDBPLG-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001754568510 1188881369 /nfs/dbraw/zinc/88/13/69/1188881369.db2.gz FYXVXJUKMRQETB-SFHVURJKSA-N 2 1 319.449 0.656 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001754758991 1188924889 /nfs/dbraw/zinc/92/48/89/1188924889.db2.gz GYAOJWPVPQFLDJ-INIZCTEOSA-N 2 1 306.410 0.482 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC#CCOC)C2 ZINC001754784033 1188935799 /nfs/dbraw/zinc/93/57/99/1188935799.db2.gz WYFIPOADCRUCFO-BBWFWOEESA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC#CCOC)C2 ZINC001754784033 1188935802 /nfs/dbraw/zinc/93/58/02/1188935802.db2.gz WYFIPOADCRUCFO-BBWFWOEESA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC#CCOC)C2 ZINC001754784033 1188935803 /nfs/dbraw/zinc/93/58/03/1188935803.db2.gz WYFIPOADCRUCFO-BBWFWOEESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001754850525 1188948391 /nfs/dbraw/zinc/94/83/91/1188948391.db2.gz LMWZYTYSQXICAF-UHFFFAOYSA-N 2 1 322.497 0.768 20 30 DCEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001754948320 1188978506 /nfs/dbraw/zinc/97/85/06/1188978506.db2.gz YFJGDMVZNOIYDH-PBHICJAKSA-N 2 1 315.417 0.917 20 30 DCEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001754948320 1188978509 /nfs/dbraw/zinc/97/85/09/1188978509.db2.gz YFJGDMVZNOIYDH-PBHICJAKSA-N 2 1 315.417 0.917 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001755015733 1188997064 /nfs/dbraw/zinc/99/70/64/1188997064.db2.gz MEGAZUPLRWKUGX-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001755026691 1189000455 /nfs/dbraw/zinc/00/04/55/1189000455.db2.gz VDCUOFBQPLBSDX-MRXNPFEDSA-N 2 1 318.421 0.812 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001755026691 1189000461 /nfs/dbraw/zinc/00/04/61/1189000461.db2.gz VDCUOFBQPLBSDX-MRXNPFEDSA-N 2 1 318.421 0.812 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001124873210 751728881 /nfs/dbraw/zinc/72/88/81/751728881.db2.gz SIXWEYVLTJNHHJ-OAHLLOKOSA-N 2 1 304.369 0.997 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[NH+](CC)CC)nn2)C1 ZINC001107221364 751957444 /nfs/dbraw/zinc/95/74/44/751957444.db2.gz VYBLJUYKZWIUHQ-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192661 746970872 /nfs/dbraw/zinc/97/08/72/746970872.db2.gz KSFMFAMKKJLKFC-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192661 746970876 /nfs/dbraw/zinc/97/08/76/746970876.db2.gz KSFMFAMKKJLKFC-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192661 746970878 /nfs/dbraw/zinc/97/08/78/746970878.db2.gz KSFMFAMKKJLKFC-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192661 746970881 /nfs/dbraw/zinc/97/08/81/746970881.db2.gz KSFMFAMKKJLKFC-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098532970 747021003 /nfs/dbraw/zinc/02/10/03/747021003.db2.gz NBBNJRMWJDUMHS-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098532970 747021010 /nfs/dbraw/zinc/02/10/10/747021010.db2.gz NBBNJRMWJDUMHS-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098532970 747021017 /nfs/dbraw/zinc/02/10/17/747021017.db2.gz NBBNJRMWJDUMHS-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001098540470 747111037 /nfs/dbraw/zinc/11/10/37/747111037.db2.gz NMMQBVRRDLXAHD-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540470 747111040 /nfs/dbraw/zinc/11/10/40/747111040.db2.gz NMMQBVRRDLXAHD-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540470 747111043 /nfs/dbraw/zinc/11/10/43/747111043.db2.gz NMMQBVRRDLXAHD-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345126 747244221 /nfs/dbraw/zinc/24/42/21/747244221.db2.gz BWDMEMZOOWPNIQ-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345126 747244225 /nfs/dbraw/zinc/24/42/25/747244225.db2.gz BWDMEMZOOWPNIQ-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001098570845 747435464 /nfs/dbraw/zinc/43/54/64/747435464.db2.gz IOWHIBARARYMCY-HZPDHXFCSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@@H]1C ZINC001071514936 761920586 /nfs/dbraw/zinc/92/05/86/761920586.db2.gz PTRDMETUYLJESA-GJZGRUSLSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@@H]1C ZINC001071514936 761920590 /nfs/dbraw/zinc/92/05/90/761920590.db2.gz PTRDMETUYLJESA-GJZGRUSLSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080953 749227515 /nfs/dbraw/zinc/22/75/15/749227515.db2.gz UNXOCLMUNMLTQU-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080953 749227516 /nfs/dbraw/zinc/22/75/16/749227516.db2.gz UNXOCLMUNMLTQU-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080953 749227517 /nfs/dbraw/zinc/22/75/17/749227517.db2.gz UNXOCLMUNMLTQU-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080953 749227518 /nfs/dbraw/zinc/22/75/18/749227518.db2.gz UNXOCLMUNMLTQU-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208319 749290079 /nfs/dbraw/zinc/29/00/79/749290079.db2.gz UZHQHMYWTDXBKO-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208319 749290094 /nfs/dbraw/zinc/29/00/94/749290094.db2.gz UZHQHMYWTDXBKO-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208319 749290099 /nfs/dbraw/zinc/29/00/99/749290099.db2.gz UZHQHMYWTDXBKO-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208319 749290104 /nfs/dbraw/zinc/29/01/04/749290104.db2.gz UZHQHMYWTDXBKO-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088328706 749371762 /nfs/dbraw/zinc/37/17/62/749371762.db2.gz BYFJVDUQCULOPP-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088328706 749371768 /nfs/dbraw/zinc/37/17/68/749371768.db2.gz BYFJVDUQCULOPP-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241288 749662526 /nfs/dbraw/zinc/66/25/26/749662526.db2.gz VXWHNIDUOUBCIX-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241288 749662528 /nfs/dbraw/zinc/66/25/28/749662528.db2.gz VXWHNIDUOUBCIX-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945294 750595666 /nfs/dbraw/zinc/59/56/66/750595666.db2.gz SDOANFUUVKFYDF-KFWWJZLASA-N 2 1 322.453 0.067 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149415 750986382 /nfs/dbraw/zinc/98/63/82/750986382.db2.gz JQXWXCAUXDVEQP-QBPKDAKJSA-N 2 1 321.465 0.661 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083734193 751222565 /nfs/dbraw/zinc/22/25/65/751222565.db2.gz VKOKTSCXYXFIHX-BMFZPTHFSA-N 2 1 318.421 0.491 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083734193 751222571 /nfs/dbraw/zinc/22/25/71/751222571.db2.gz VKOKTSCXYXFIHX-BMFZPTHFSA-N 2 1 318.421 0.491 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874644 751335841 /nfs/dbraw/zinc/33/58/41/751335841.db2.gz OFPSHDRBABCKFM-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001044654587 752822362 /nfs/dbraw/zinc/82/23/62/752822362.db2.gz PCFAHPDKVQQPAB-CHWSQXEVSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224598 753129473 /nfs/dbraw/zinc/12/94/73/753129473.db2.gz PNNKRESLKJYMSH-IAGOWNOFSA-N 2 1 315.417 0.546 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035405 753438953 /nfs/dbraw/zinc/43/89/53/753438953.db2.gz LDMGQAQNYIFFKV-SJORKVTESA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035460 753439563 /nfs/dbraw/zinc/43/95/63/753439563.db2.gz METLLYYFZNCSLW-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046038313 753441632 /nfs/dbraw/zinc/44/16/32/753441632.db2.gz KEQVIEOQIREKHB-JKSUJKDBSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064023 753457337 /nfs/dbraw/zinc/45/73/37/753457337.db2.gz CLHRKETVKXWEEO-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064023 753457338 /nfs/dbraw/zinc/45/73/38/753457338.db2.gz CLHRKETVKXWEEO-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064023 753457341 /nfs/dbraw/zinc/45/73/41/753457341.db2.gz CLHRKETVKXWEEO-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424134 754269793 /nfs/dbraw/zinc/26/97/93/754269793.db2.gz ACHNZJDNCAPOTO-HOTGVXAUSA-N 2 1 321.465 0.942 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128782778 754282349 /nfs/dbraw/zinc/28/23/49/754282349.db2.gz BRGOJRJFNAYGAL-KGLIPLIRSA-N 2 1 310.442 0.257 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047629997 754447786 /nfs/dbraw/zinc/44/77/86/754447786.db2.gz JIBKCLVOHKOAQF-GJZGRUSLSA-N 2 1 306.410 0.661 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047629997 754447789 /nfs/dbraw/zinc/44/77/89/754447789.db2.gz JIBKCLVOHKOAQF-GJZGRUSLSA-N 2 1 306.410 0.661 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001048588616 754815612 /nfs/dbraw/zinc/81/56/12/754815612.db2.gz ITJITXDPVIYHBW-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001048588616 754815615 /nfs/dbraw/zinc/81/56/15/754815615.db2.gz ITJITXDPVIYHBW-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001048588616 754815618 /nfs/dbraw/zinc/81/56/18/754815618.db2.gz ITJITXDPVIYHBW-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001048588616 754815622 /nfs/dbraw/zinc/81/56/22/754815622.db2.gz ITJITXDPVIYHBW-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090260642 754821936 /nfs/dbraw/zinc/82/19/36/754821936.db2.gz IVHWHFOYJLBUJY-HZPDHXFCSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090261122 754825333 /nfs/dbraw/zinc/82/53/33/754825333.db2.gz MPBUKKMRKBBYTK-GJZGRUSLSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCO)C2)CC1 ZINC001072095015 762352903 /nfs/dbraw/zinc/35/29/03/762352903.db2.gz DZJDDCHFCOTPED-GDBMZVCRSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789736 755400598 /nfs/dbraw/zinc/40/05/98/755400598.db2.gz FOVIQUUKHUNGGQ-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789736 755400603 /nfs/dbraw/zinc/40/06/03/755400603.db2.gz FOVIQUUKHUNGGQ-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCO)CC1 ZINC001049921507 755448016 /nfs/dbraw/zinc/44/80/16/755448016.db2.gz WSMTXAJMSZIFJO-IAGOWNOFSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353996 755662160 /nfs/dbraw/zinc/66/21/60/755662160.db2.gz HHOQTBYWOHWGTI-LSDHHAIUSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353996 755662163 /nfs/dbraw/zinc/66/21/63/755662163.db2.gz HHOQTBYWOHWGTI-LSDHHAIUSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947504 755882040 /nfs/dbraw/zinc/88/20/40/755882040.db2.gz RNSWPGDEHHVZPI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947504 755882047 /nfs/dbraw/zinc/88/20/47/755882047.db2.gz RNSWPGDEHHVZPI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947504 755882053 /nfs/dbraw/zinc/88/20/53/755882053.db2.gz RNSWPGDEHHVZPI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947504 755882059 /nfs/dbraw/zinc/88/20/59/755882059.db2.gz RNSWPGDEHHVZPI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001053924994 756281133 /nfs/dbraw/zinc/28/11/33/756281133.db2.gz DZTATKANHVJVIO-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001053924994 756281139 /nfs/dbraw/zinc/28/11/39/756281139.db2.gz DZTATKANHVJVIO-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001053982678 756314765 /nfs/dbraw/zinc/31/47/65/756314765.db2.gz NYIUPZFOYZGIBO-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001053982678 756314771 /nfs/dbraw/zinc/31/47/71/756314771.db2.gz NYIUPZFOYZGIBO-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001082742611 757254272 /nfs/dbraw/zinc/25/42/72/757254272.db2.gz LZCHPEBLOBUTPP-IVMMDQJWSA-N 2 1 300.406 0.824 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084351645 757799006 /nfs/dbraw/zinc/79/90/06/757799006.db2.gz ZGJBAWDOKJIHED-GDBMZVCRSA-N 2 1 315.421 0.224 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084351645 757799012 /nfs/dbraw/zinc/79/90/12/757799012.db2.gz ZGJBAWDOKJIHED-GDBMZVCRSA-N 2 1 315.421 0.224 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085096589 758207958 /nfs/dbraw/zinc/20/79/58/758207958.db2.gz JUKSMBLYUFOPBH-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085096589 758207968 /nfs/dbraw/zinc/20/79/68/758207968.db2.gz JUKSMBLYUFOPBH-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096589 758207976 /nfs/dbraw/zinc/20/79/76/758207976.db2.gz JUKSMBLYUFOPBH-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096589 758207983 /nfs/dbraw/zinc/20/79/83/758207983.db2.gz JUKSMBLYUFOPBH-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052074078 759160048 /nfs/dbraw/zinc/16/00/48/759160048.db2.gz TYRYMJCWUGGWFX-MRXNPFEDSA-N 2 1 319.453 0.070 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052488847 759446210 /nfs/dbraw/zinc/44/62/10/759446210.db2.gz JXZQDPHUZDYWOB-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052488847 759446220 /nfs/dbraw/zinc/44/62/20/759446220.db2.gz JXZQDPHUZDYWOB-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052488847 759446223 /nfs/dbraw/zinc/44/62/23/759446223.db2.gz JXZQDPHUZDYWOB-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052488847 759446240 /nfs/dbraw/zinc/44/62/40/759446240.db2.gz JXZQDPHUZDYWOB-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124446 760437398 /nfs/dbraw/zinc/43/73/98/760437398.db2.gz IDTDMWYTOINXKR-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC#CCOC)C2 ZINC001148651998 768024431 /nfs/dbraw/zinc/02/44/31/768024431.db2.gz VOBHRCPDAIVBAG-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC#CCOC)C2 ZINC001148651998 768024437 /nfs/dbraw/zinc/02/44/37/768024437.db2.gz VOBHRCPDAIVBAG-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC#CCOC)C2 ZINC001148651998 768024440 /nfs/dbraw/zinc/02/44/40/768024440.db2.gz VOBHRCPDAIVBAG-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123694273 768045469 /nfs/dbraw/zinc/04/54/69/768045469.db2.gz JCBPQDGGQBUXDC-HOCLYGCPSA-N 2 1 321.469 0.018 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071228430 761724190 /nfs/dbraw/zinc/72/41/90/761724190.db2.gz UPOOMACJGUQZHJ-CRAIPNDOSA-N 2 1 317.433 0.407 20 30 DCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100142470 761788441 /nfs/dbraw/zinc/78/84/41/761788441.db2.gz CRVZRVDYUWFTIW-IRXDYDNUSA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100142470 761788443 /nfs/dbraw/zinc/78/84/43/761788443.db2.gz CRVZRVDYUWFTIW-IRXDYDNUSA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100142470 761788448 /nfs/dbraw/zinc/78/84/48/761788448.db2.gz CRVZRVDYUWFTIW-IRXDYDNUSA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100142470 761788451 /nfs/dbraw/zinc/78/84/51/761788451.db2.gz CRVZRVDYUWFTIW-IRXDYDNUSA-N 2 1 317.433 0.856 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1ccns1 ZINC001129771103 763009195 /nfs/dbraw/zinc/00/91/95/763009195.db2.gz QVPCRQQNAAEKTP-AWEZNQCLSA-N 2 1 306.435 0.489 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1ccns1 ZINC001129771103 763009201 /nfs/dbraw/zinc/00/92/01/763009201.db2.gz QVPCRQQNAAEKTP-AWEZNQCLSA-N 2 1 306.435 0.489 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856201 763026803 /nfs/dbraw/zinc/02/68/03/763026803.db2.gz OGBJCLWUJQNZFL-KGLIPLIRSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013312 763217082 /nfs/dbraw/zinc/21/70/82/763217082.db2.gz LGDDIQPATHVBCW-LSDHHAIUSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013312 763217091 /nfs/dbraw/zinc/21/70/91/763217091.db2.gz LGDDIQPATHVBCW-LSDHHAIUSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013312 763217099 /nfs/dbraw/zinc/21/70/99/763217099.db2.gz LGDDIQPATHVBCW-LSDHHAIUSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100034684 763238876 /nfs/dbraw/zinc/23/88/76/763238876.db2.gz TZHYIJOPSKHASM-HZPDHXFCSA-N 2 1 318.421 0.546 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100034684 763238883 /nfs/dbraw/zinc/23/88/83/763238883.db2.gz TZHYIJOPSKHASM-HZPDHXFCSA-N 2 1 318.421 0.546 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100035028 763239193 /nfs/dbraw/zinc/23/91/93/763239193.db2.gz XAJZPCRGIFVMRY-LSDHHAIUSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100035028 763239197 /nfs/dbraw/zinc/23/91/97/763239197.db2.gz XAJZPCRGIFVMRY-LSDHHAIUSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212308 763398146 /nfs/dbraw/zinc/39/81/46/763398146.db2.gz XBXQJMOJKBQQTH-YMAMQOFZSA-N 2 1 311.426 0.004 20 30 DCEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212308 763398151 /nfs/dbraw/zinc/39/81/51/763398151.db2.gz XBXQJMOJKBQQTH-YMAMQOFZSA-N 2 1 311.426 0.004 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCCOC)C1 ZINC001100415201 763564623 /nfs/dbraw/zinc/56/46/23/763564623.db2.gz DPEDZWKPTXHVSW-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCCOC)C1 ZINC001100415201 763564626 /nfs/dbraw/zinc/56/46/26/763564626.db2.gz DPEDZWKPTXHVSW-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cncn1C ZINC001131115738 763651703 /nfs/dbraw/zinc/65/17/03/763651703.db2.gz YHRCBOBCJACJCZ-HUUCEWRRSA-N 2 1 319.453 0.832 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001101035908 763930764 /nfs/dbraw/zinc/93/07/64/763930764.db2.gz DMCVRXRBSHWUSY-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432213 764094704 /nfs/dbraw/zinc/09/47/04/764094704.db2.gz HTZTVNVCXOJTNI-WBVHZDCISA-N 2 1 309.454 0.921 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001098478760 764324730 /nfs/dbraw/zinc/32/47/30/764324730.db2.gz CJAIKGOHQRQGPT-OAHLLOKOSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435122 764456555 /nfs/dbraw/zinc/45/65/55/764456555.db2.gz BMGDJRLFWQMECQ-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132435122 764456559 /nfs/dbraw/zinc/45/65/59/764456559.db2.gz BMGDJRLFWQMECQ-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132435122 764456563 /nfs/dbraw/zinc/45/65/63/764456563.db2.gz BMGDJRLFWQMECQ-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132435122 764456565 /nfs/dbraw/zinc/45/65/65/764456565.db2.gz BMGDJRLFWQMECQ-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132522865 764504751 /nfs/dbraw/zinc/50/47/51/764504751.db2.gz UKFXULAOIMKMBZ-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132522865 764504757 /nfs/dbraw/zinc/50/47/57/764504757.db2.gz UKFXULAOIMKMBZ-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132522865 764504765 /nfs/dbraw/zinc/50/47/65/764504765.db2.gz UKFXULAOIMKMBZ-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132522865 764504773 /nfs/dbraw/zinc/50/47/73/764504773.db2.gz UKFXULAOIMKMBZ-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102489160 764663945 /nfs/dbraw/zinc/66/39/45/764663945.db2.gz VYIKGZZTWNSOGO-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001132886327 764707572 /nfs/dbraw/zinc/70/75/72/764707572.db2.gz JKWLVPBZSUXYKZ-KKUMJFAQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133165362 764855604 /nfs/dbraw/zinc/85/56/04/764855604.db2.gz FRXNDALDWAZDMH-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103742639 765118006 /nfs/dbraw/zinc/11/80/06/765118006.db2.gz PBEZSQDPQOTDPZ-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103742639 765118009 /nfs/dbraw/zinc/11/80/09/765118009.db2.gz PBEZSQDPQOTDPZ-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103742639 765118012 /nfs/dbraw/zinc/11/80/12/765118012.db2.gz PBEZSQDPQOTDPZ-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103742639 765118015 /nfs/dbraw/zinc/11/80/15/765118015.db2.gz PBEZSQDPQOTDPZ-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890508 765210750 /nfs/dbraw/zinc/21/07/50/765210750.db2.gz UOZZBEHQUWDBBU-UHFFFAOYSA-N 2 1 320.393 0.240 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613100 765590539 /nfs/dbraw/zinc/59/05/39/765590539.db2.gz SDAGUAJJMXNRSQ-LSDHHAIUSA-N 2 1 309.454 0.993 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135029749 765770644 /nfs/dbraw/zinc/77/06/44/765770644.db2.gz RICCQHVJSCJQAH-UONOGXRCSA-N 2 1 306.410 0.714 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093862 765800235 /nfs/dbraw/zinc/80/02/35/765800235.db2.gz UJAGJHRDJHEIMQ-UONOGXRCSA-N 2 1 308.426 0.011 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086763200 766093259 /nfs/dbraw/zinc/09/32/59/766093259.db2.gz XPNXQESPCCPGTM-CFFMVQJASA-N 2 1 317.433 0.357 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090734277 766529643 /nfs/dbraw/zinc/52/96/43/766529643.db2.gz KCBQEOKLAKSNOF-UKRRQHHQSA-N 2 1 304.394 0.499 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090734277 766529648 /nfs/dbraw/zinc/52/96/48/766529648.db2.gz KCBQEOKLAKSNOF-UKRRQHHQSA-N 2 1 304.394 0.499 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](O)C1 ZINC001090826609 766644056 /nfs/dbraw/zinc/64/40/56/766644056.db2.gz BTBPDPIHRJFSIN-DLBZAZTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](O)C1 ZINC001090826609 766644064 /nfs/dbraw/zinc/64/40/64/766644064.db2.gz BTBPDPIHRJFSIN-DLBZAZTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001119766142 766804968 /nfs/dbraw/zinc/80/49/68/766804968.db2.gz PQEOBEUSHXKOJA-AWEZNQCLSA-N 2 1 318.425 0.664 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001119766142 766804979 /nfs/dbraw/zinc/80/49/79/766804979.db2.gz PQEOBEUSHXKOJA-AWEZNQCLSA-N 2 1 318.425 0.664 20 30 DCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001091232332 767048048 /nfs/dbraw/zinc/04/80/48/767048048.db2.gz KPZNGWAQZKCIOA-SHARSMKWSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842834 768402634 /nfs/dbraw/zinc/40/26/34/768402634.db2.gz RMCCFSFBKZEWLP-MYPHYYIGSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842834 768402639 /nfs/dbraw/zinc/40/26/39/768402639.db2.gz RMCCFSFBKZEWLP-MYPHYYIGSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842834 768402645 /nfs/dbraw/zinc/40/26/45/768402645.db2.gz RMCCFSFBKZEWLP-MYPHYYIGSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092910687 768414167 /nfs/dbraw/zinc/41/41/67/768414167.db2.gz IRVUMHFOJIQQKH-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094447388 769063998 /nfs/dbraw/zinc/06/39/98/769063998.db2.gz SCKGUMJOZHPALV-YFHUEUNASA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094447388 769064006 /nfs/dbraw/zinc/06/40/06/769064006.db2.gz SCKGUMJOZHPALV-YFHUEUNASA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094447388 769064013 /nfs/dbraw/zinc/06/40/13/769064013.db2.gz SCKGUMJOZHPALV-YFHUEUNASA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094447388 769064019 /nfs/dbraw/zinc/06/40/19/769064019.db2.gz SCKGUMJOZHPALV-YFHUEUNASA-N 2 1 319.449 0.700 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001151049747 769245472 /nfs/dbraw/zinc/24/54/72/769245472.db2.gz YFRJPYHQMAJQSJ-HNNXBMFYSA-N 2 1 316.405 0.746 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001151387516 769328603 /nfs/dbraw/zinc/32/86/03/769328603.db2.gz LTIOTXBSQGVVBQ-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337838 769411305 /nfs/dbraw/zinc/41/13/05/769411305.db2.gz WJYBEFIMQGIXHS-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CSc1nc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)ccc1C#N ZINC001234987650 769735433 /nfs/dbraw/zinc/73/54/33/769735433.db2.gz IHSFBRQYUGXXKK-OAHLLOKOSA-N 2 1 303.435 0.812 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754057 770168975 /nfs/dbraw/zinc/16/89/75/770168975.db2.gz QMDZHPQSFHPFJP-OAHLLOKOSA-N 2 1 324.469 0.341 20 30 DCEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390456 770804239 /nfs/dbraw/zinc/80/42/39/770804239.db2.gz MWYIOJWCHJDPAQ-OAHLLOKOSA-N 2 1 315.458 0.594 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731420 770848416 /nfs/dbraw/zinc/84/84/16/770848416.db2.gz WGOHNNLDSKBJKC-BARDWOONSA-N 2 1 322.453 0.208 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001179396757 770996712 /nfs/dbraw/zinc/99/67/12/770996712.db2.gz UYWMMRKBDLIANF-JYJNAYRXSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001179396757 770996717 /nfs/dbraw/zinc/99/67/17/770996717.db2.gz UYWMMRKBDLIANF-JYJNAYRXSA-N 2 1 307.438 0.698 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001179983403 771043537 /nfs/dbraw/zinc/04/35/37/771043537.db2.gz ZZYWXNMHUPTIKN-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001182384397 771461913 /nfs/dbraw/zinc/46/19/13/771461913.db2.gz GKQWOIUHPKUYSU-JFIYKMOQSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001182384397 771461917 /nfs/dbraw/zinc/46/19/17/771461917.db2.gz GKQWOIUHPKUYSU-JFIYKMOQSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001159356358 771900841 /nfs/dbraw/zinc/90/08/41/771900841.db2.gz XHSLJIACVUHISQ-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)c1cccnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160520021 772056910 /nfs/dbraw/zinc/05/69/10/772056910.db2.gz PAZGJQSEVLRCJF-KRWDZBQOSA-N 2 1 315.421 0.832 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001187307147 772172955 /nfs/dbraw/zinc/17/29/55/772172955.db2.gz WPJHJFKOVRXVAJ-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001187982167 772254207 /nfs/dbraw/zinc/25/42/07/772254207.db2.gz GOZCVOHVMFOYND-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982167 772254209 /nfs/dbraw/zinc/25/42/09/772254209.db2.gz GOZCVOHVMFOYND-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCOC)C1 ZINC001190721300 772668580 /nfs/dbraw/zinc/66/85/80/772668580.db2.gz ANGUXMNEOMFGEE-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCOC)C1 ZINC001190721300 772668583 /nfs/dbraw/zinc/66/85/83/772668583.db2.gz ANGUXMNEOMFGEE-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCOC)C1 ZINC001190721300 772668585 /nfs/dbraw/zinc/66/85/85/772668585.db2.gz ANGUXMNEOMFGEE-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCOC)C1 ZINC001190721300 772668588 /nfs/dbraw/zinc/66/85/88/772668588.db2.gz ANGUXMNEOMFGEE-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001190909573 772697912 /nfs/dbraw/zinc/69/79/12/772697912.db2.gz DGAXNHXBGYHXCT-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191430621 772767176 /nfs/dbraw/zinc/76/71/76/772767176.db2.gz GGOMHZLEZIMCAE-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166815108 772863168 /nfs/dbraw/zinc/86/31/68/772863168.db2.gz ZDUMHTXPHHFLOV-MRXNPFEDSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192425358 772916268 /nfs/dbraw/zinc/91/62/68/772916268.db2.gz GCACMCZMIVBOHQ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462796 773066567 /nfs/dbraw/zinc/06/65/67/773066567.db2.gz PULNXJQBOWUCPS-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193462796 773066571 /nfs/dbraw/zinc/06/65/71/773066571.db2.gz PULNXJQBOWUCPS-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193462796 773066576 /nfs/dbraw/zinc/06/65/76/773066576.db2.gz PULNXJQBOWUCPS-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765567 773113162 /nfs/dbraw/zinc/11/31/62/773113162.db2.gz BZXFTZDIXIJVRZ-RBSFLKMASA-N 2 1 309.454 0.987 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026336 773140563 /nfs/dbraw/zinc/14/05/63/773140563.db2.gz CJENCOUHPZSNSR-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412834 773455501 /nfs/dbraw/zinc/45/55/01/773455501.db2.gz ORAYYWIHXJFDBR-LTIDMASMSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208412834 773455505 /nfs/dbraw/zinc/45/55/05/773455505.db2.gz ORAYYWIHXJFDBR-LTIDMASMSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208412834 773455507 /nfs/dbraw/zinc/45/55/07/773455507.db2.gz ORAYYWIHXJFDBR-LTIDMASMSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434912 773460795 /nfs/dbraw/zinc/46/07/95/773460795.db2.gz ISVCZHRJWXCPIH-HUUCEWRRSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209643736 773629635 /nfs/dbraw/zinc/62/96/35/773629635.db2.gz WGOSYYZWHXHDJU-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210495322 773715322 /nfs/dbraw/zinc/71/53/22/773715322.db2.gz ZANXNBJZPXAEOT-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674339 773728312 /nfs/dbraw/zinc/72/83/12/773728312.db2.gz SRCFUCPPBHJYOO-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211045924 773762851 /nfs/dbraw/zinc/76/28/51/773762851.db2.gz FBSJPTBLORDIOE-OWCLPIDISA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214968955 774029367 /nfs/dbraw/zinc/02/93/67/774029367.db2.gz FRMFTOAERJMRNA-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000840 774344967 /nfs/dbraw/zinc/34/49/67/774344967.db2.gz CTURORFVEJXTAK-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200636321 774382405 /nfs/dbraw/zinc/38/24/05/774382405.db2.gz YAFUYRBFJKNZGI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201420779 774507306 /nfs/dbraw/zinc/50/73/06/774507306.db2.gz OXIMSUCBHLEWSW-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001219614015 774557864 /nfs/dbraw/zinc/55/78/64/774557864.db2.gz YQPGGXPGVLFEOP-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219614015 774557867 /nfs/dbraw/zinc/55/78/67/774557867.db2.gz YQPGGXPGVLFEOP-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219614015 774557870 /nfs/dbraw/zinc/55/78/70/774557870.db2.gz YQPGGXPGVLFEOP-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202504643 774772261 /nfs/dbraw/zinc/77/22/61/774772261.db2.gz VEDNMIHCLOWSAK-HIFRSBDPSA-N 2 1 322.453 0.067 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568202 774847316 /nfs/dbraw/zinc/84/73/16/774847316.db2.gz ADPZVUVAFYZCBI-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568202 774847322 /nfs/dbraw/zinc/84/73/22/774847322.db2.gz ADPZVUVAFYZCBI-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568202 774847333 /nfs/dbraw/zinc/84/73/33/774847333.db2.gz ADPZVUVAFYZCBI-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568202 774847337 /nfs/dbraw/zinc/84/73/37/774847337.db2.gz ADPZVUVAFYZCBI-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220575554 774850087 /nfs/dbraw/zinc/85/00/87/774850087.db2.gz WXEHBSVINNKHNK-PMPSAXMXSA-N 2 1 309.454 0.537 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220575554 774850095 /nfs/dbraw/zinc/85/00/95/774850095.db2.gz WXEHBSVINNKHNK-PMPSAXMXSA-N 2 1 309.454 0.537 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC)C[C@H]21 ZINC001114420759 774853749 /nfs/dbraw/zinc/85/37/49/774853749.db2.gz ISIWIZVIXVQVPI-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC)C[C@H]21 ZINC001114420759 774853758 /nfs/dbraw/zinc/85/37/58/774853758.db2.gz ISIWIZVIXVQVPI-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCC)C[C@H]21 ZINC001114420759 774853763 /nfs/dbraw/zinc/85/37/63/774853763.db2.gz ISIWIZVIXVQVPI-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCC)C[C@H]21 ZINC001114420759 774853772 /nfs/dbraw/zinc/85/37/72/774853772.db2.gz ISIWIZVIXVQVPI-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016441 775248178 /nfs/dbraw/zinc/24/81/78/775248178.db2.gz JVLDUHSMQQONLB-HZPDHXFCSA-N 2 1 307.438 0.818 20 30 DCEDMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC#CCOC)[C@H]2C1 ZINC001223722012 775512235 /nfs/dbraw/zinc/51/22/35/775512235.db2.gz OTVLYNUOBICKDT-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC#CCOC)[C@H]2C1 ZINC001223978204 775528302 /nfs/dbraw/zinc/52/83/02/775528302.db2.gz SYCJKGJQJWFNDR-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC#CCOC)[C@H]2C1 ZINC001223978204 775528307 /nfs/dbraw/zinc/52/83/07/775528307.db2.gz SYCJKGJQJWFNDR-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC#CCOC)[C@H]2C1 ZINC001223978204 775528317 /nfs/dbraw/zinc/52/83/17/775528317.db2.gz SYCJKGJQJWFNDR-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745651 776094522 /nfs/dbraw/zinc/09/45/22/776094522.db2.gz CYFIFWCHXPXHBC-FICVDOATSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001278140132 945151971 /nfs/dbraw/zinc/15/19/71/945151971.db2.gz XZVKYXWTCQBIJS-LSDHHAIUSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001278155867 945158653 /nfs/dbraw/zinc/15/86/53/945158653.db2.gz SUDHASOPSYMNHK-ZACQAIPSSA-N 2 1 315.417 0.032 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266533777 939155027 /nfs/dbraw/zinc/15/50/27/939155027.db2.gz QJYYVCWOIAFNJP-GDBMZVCRSA-N 2 1 324.469 0.313 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001480883320 939161347 /nfs/dbraw/zinc/16/13/47/939161347.db2.gz CLIVZTHAEJQIGE-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001480883320 939161349 /nfs/dbraw/zinc/16/13/49/939161349.db2.gz CLIVZTHAEJQIGE-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001480883320 939161352 /nfs/dbraw/zinc/16/13/52/939161352.db2.gz CLIVZTHAEJQIGE-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001480883320 939161353 /nfs/dbraw/zinc/16/13/53/939161353.db2.gz CLIVZTHAEJQIGE-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266802200 939240758 /nfs/dbraw/zinc/24/07/58/939240758.db2.gz XMDZDOIOKYYPBS-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267044536 939322553 /nfs/dbraw/zinc/32/25/53/939322553.db2.gz JLJOEKSOEVNLCS-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@@H]2CC[C@H](C)O2)CC1 ZINC001267232174 939396717 /nfs/dbraw/zinc/39/67/17/939396717.db2.gz BEPBYIFBPMOABH-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001267434218 939455389 /nfs/dbraw/zinc/45/53/89/939455389.db2.gz ULEJGYFZQSNLHD-UHFFFAOYSA-N 2 1 306.410 0.704 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481109759 939564193 /nfs/dbraw/zinc/56/41/93/939564193.db2.gz ULHXJSKEHGKQNO-AWEZNQCLSA-N 2 1 322.453 0.069 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001481189376 939602054 /nfs/dbraw/zinc/60/20/54/939602054.db2.gz KYVJDTPEZCPBMW-UHFFFAOYSA-N 2 1 317.437 0.662 20 30 DCEDMP CC#CC[NH2+]CCC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001267915779 939704704 /nfs/dbraw/zinc/70/47/04/939704704.db2.gz JIIBUIAXDRSVLX-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccon1 ZINC001267988951 939722709 /nfs/dbraw/zinc/72/27/09/939722709.db2.gz CJBKJQIHJNHTFS-ZFWWWQNUSA-N 2 1 304.394 0.614 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccon1 ZINC001267988951 939722713 /nfs/dbraw/zinc/72/27/13/939722713.db2.gz CJBKJQIHJNHTFS-ZFWWWQNUSA-N 2 1 304.394 0.614 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001318140589 945275311 /nfs/dbraw/zinc/27/53/11/945275311.db2.gz UMKNMKHNZCSZEE-UHFFFAOYSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001481508054 939907192 /nfs/dbraw/zinc/90/71/92/939907192.db2.gz HRQOXZNDYNRYRF-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001481508054 939907193 /nfs/dbraw/zinc/90/71/93/939907193.db2.gz HRQOXZNDYNRYRF-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001481508054 939907195 /nfs/dbraw/zinc/90/71/95/939907195.db2.gz HRQOXZNDYNRYRF-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001481508054 939907197 /nfs/dbraw/zinc/90/71/97/939907197.db2.gz HRQOXZNDYNRYRF-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001481649231 940008612 /nfs/dbraw/zinc/00/86/12/940008612.db2.gz FRCSLJCYYQVDHV-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001481649231 940008615 /nfs/dbraw/zinc/00/86/15/940008615.db2.gz FRCSLJCYYQVDHV-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001481913302 940180158 /nfs/dbraw/zinc/18/01/58/940180158.db2.gz YOHRXAURECUUJA-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268583107 940266962 /nfs/dbraw/zinc/26/69/62/940266962.db2.gz STKYHOGMJXNGBI-UDLYIEAKSA-N 2 1 307.438 0.629 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001482189686 940324962 /nfs/dbraw/zinc/32/49/62/940324962.db2.gz GUNLVAFIVAARQV-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001482189686 940324965 /nfs/dbraw/zinc/32/49/65/940324965.db2.gz GUNLVAFIVAARQV-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001482189686 940324968 /nfs/dbraw/zinc/32/49/68/940324968.db2.gz GUNLVAFIVAARQV-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001482189686 940324971 /nfs/dbraw/zinc/32/49/71/940324971.db2.gz GUNLVAFIVAARQV-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001270031433 940819147 /nfs/dbraw/zinc/81/91/47/940819147.db2.gz VLIFXBWJPMKABR-WKILWMFISA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001270193156 940852762 /nfs/dbraw/zinc/85/27/62/940852762.db2.gz HDYNKAYSQBTNSW-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001270267271 940867608 /nfs/dbraw/zinc/86/76/08/940867608.db2.gz ZQHUHGZKYSVOJV-UHFFFAOYSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](C[C@H](C)O)CC1 ZINC001270358563 940886877 /nfs/dbraw/zinc/88/68/77/940886877.db2.gz KTNZFMGCXOQRCK-HNNXBMFYSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCO)C1 ZINC001270737484 940977936 /nfs/dbraw/zinc/97/79/36/940977936.db2.gz NLEAUPJGRIVVJH-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCO)C1 ZINC001270737484 940977942 /nfs/dbraw/zinc/97/79/42/940977942.db2.gz NLEAUPJGRIVVJH-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001270777704 940986951 /nfs/dbraw/zinc/98/69/51/940986951.db2.gz TUCLZAVOZWEVGR-CQSZACIVSA-N 2 1 322.453 0.401 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001278437633 945367952 /nfs/dbraw/zinc/36/79/52/945367952.db2.gz GQZVDPGDVAREPT-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001278437633 945367967 /nfs/dbraw/zinc/36/79/67/945367967.db2.gz GQZVDPGDVAREPT-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278437633 945367981 /nfs/dbraw/zinc/36/79/81/945367981.db2.gz GQZVDPGDVAREPT-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278437633 945367994 /nfs/dbraw/zinc/36/79/94/945367994.db2.gz GQZVDPGDVAREPT-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001271592365 941407662 /nfs/dbraw/zinc/40/76/62/941407662.db2.gz RANYIKSPYVKVLU-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)CC[N@@H+](CCN(C)C)C2 ZINC001271954264 941490408 /nfs/dbraw/zinc/49/04/08/941490408.db2.gz UCVCILLVONUDOO-UHFFFAOYSA-N 2 1 320.481 0.734 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)CC[N@H+](CCN(C)C)C2 ZINC001271954264 941490410 /nfs/dbraw/zinc/49/04/10/941490410.db2.gz UCVCILLVONUDOO-UHFFFAOYSA-N 2 1 320.481 0.734 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001271953322 941490612 /nfs/dbraw/zinc/49/06/12/941490612.db2.gz AOLCUXZNVDEOOC-KRWDZBQOSA-N 2 1 307.438 0.962 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001271953322 941490614 /nfs/dbraw/zinc/49/06/14/941490614.db2.gz AOLCUXZNVDEOOC-KRWDZBQOSA-N 2 1 307.438 0.962 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001482761595 941659356 /nfs/dbraw/zinc/65/93/56/941659356.db2.gz JJCNXCVBMCFLKI-SJORKVTESA-N 2 1 321.465 0.874 20 30 DCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482929827 941715560 /nfs/dbraw/zinc/71/55/60/941715560.db2.gz LMEBNIJOCSRZHD-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593079 942024157 /nfs/dbraw/zinc/02/41/57/942024157.db2.gz CRRMPRLOIKHQIW-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593079 942024158 /nfs/dbraw/zinc/02/41/58/942024158.db2.gz CRRMPRLOIKHQIW-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593079 942024159 /nfs/dbraw/zinc/02/41/59/942024159.db2.gz CRRMPRLOIKHQIW-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593079 942024161 /nfs/dbraw/zinc/02/41/61/942024161.db2.gz CRRMPRLOIKHQIW-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#CCOC ZINC001496908227 942331431 /nfs/dbraw/zinc/33/14/31/942331431.db2.gz LZTWMPYKXQCACG-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001483762804 942920666 /nfs/dbraw/zinc/92/06/66/942920666.db2.gz YNEARGZZYXRFOC-GJZGRUSLSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484065201 943131528 /nfs/dbraw/zinc/13/15/28/943131528.db2.gz SMMAYJBQEJSPMB-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484065201 943131529 /nfs/dbraw/zinc/13/15/29/943131529.db2.gz SMMAYJBQEJSPMB-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484065201 943131530 /nfs/dbraw/zinc/13/15/30/943131530.db2.gz SMMAYJBQEJSPMB-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001484065201 943131531 /nfs/dbraw/zinc/13/15/31/943131531.db2.gz SMMAYJBQEJSPMB-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001484065201 943131532 /nfs/dbraw/zinc/13/15/32/943131532.db2.gz SMMAYJBQEJSPMB-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2C)CCOCC1 ZINC001484869077 943606603 /nfs/dbraw/zinc/60/66/03/943606603.db2.gz BNPASCZUESXIMX-UHFFFAOYSA-N 2 1 318.421 0.860 20 30 DCEDMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC#CCOC ZINC001491228942 943851276 /nfs/dbraw/zinc/85/12/76/943851276.db2.gz KQNOJIJCOHDTPL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC#CCOC ZINC001491228942 943851282 /nfs/dbraw/zinc/85/12/82/943851282.db2.gz KQNOJIJCOHDTPL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC#CCOC ZINC001491228942 943851291 /nfs/dbraw/zinc/85/12/91/943851291.db2.gz KQNOJIJCOHDTPL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CC#CCOC ZINC001491228942 943851305 /nfs/dbraw/zinc/85/13/05/943851305.db2.gz KQNOJIJCOHDTPL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCOCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580279 944013334 /nfs/dbraw/zinc/01/33/34/944013334.db2.gz FMKYWOJTWYIVRY-CABCVRRESA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580279 944013336 /nfs/dbraw/zinc/01/33/36/944013336.db2.gz FMKYWOJTWYIVRY-CABCVRRESA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580279 944013343 /nfs/dbraw/zinc/01/33/43/944013343.db2.gz FMKYWOJTWYIVRY-CABCVRRESA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001272716049 944159005 /nfs/dbraw/zinc/15/90/05/944159005.db2.gz CJDPGTGRLFKZQR-SFHVURJKSA-N 2 1 319.449 0.799 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001272716049 944159009 /nfs/dbraw/zinc/15/90/09/944159009.db2.gz CJDPGTGRLFKZQR-SFHVURJKSA-N 2 1 319.449 0.799 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001276777567 944294978 /nfs/dbraw/zinc/29/49/78/944294978.db2.gz DREYXWSFFLPYDE-GOEBONIOSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001276800733 944302703 /nfs/dbraw/zinc/30/27/03/944302703.db2.gz MDDBFUAUBTYMLJ-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCCCC1 ZINC001486004747 944488692 /nfs/dbraw/zinc/48/86/92/944488692.db2.gz NDNMKVBXEOGKHW-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCCCC1 ZINC001486004747 944488695 /nfs/dbraw/zinc/48/86/95/944488695.db2.gz NDNMKVBXEOGKHW-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001486184133 944630888 /nfs/dbraw/zinc/63/08/88/944630888.db2.gz QLHFICVUTAEEGA-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001486184133 944630895 /nfs/dbraw/zinc/63/08/95/944630895.db2.gz QLHFICVUTAEEGA-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001277139966 944676227 /nfs/dbraw/zinc/67/62/27/944676227.db2.gz FVNFMZDVOKGYRJ-CHWSQXEVSA-N 2 1 308.426 0.010 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001316958904 944683644 /nfs/dbraw/zinc/68/36/44/944683644.db2.gz NUBINKSVGGGYQX-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317178594 944837137 /nfs/dbraw/zinc/83/71/37/944837137.db2.gz CEAVEXZJYGBOGQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001317374891 944945308 /nfs/dbraw/zinc/94/53/08/944945308.db2.gz GWTZMCSGWDCVJQ-JKSUJKDBSA-N 2 1 309.454 0.899 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001318789889 945444779 /nfs/dbraw/zinc/44/47/79/945444779.db2.gz PCBPFRUIBRDFAD-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001318789889 945444784 /nfs/dbraw/zinc/44/47/84/945444784.db2.gz PCBPFRUIBRDFAD-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001319038018 945485054 /nfs/dbraw/zinc/48/50/54/945485054.db2.gz JAKYCHRCFIXHRH-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001273180580 945678851 /nfs/dbraw/zinc/67/88/51/945678851.db2.gz SWCRCQMLPSICJK-AWEZNQCLSA-N 2 1 322.453 0.259 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001319981430 945709354 /nfs/dbraw/zinc/70/93/54/945709354.db2.gz OFGTZPNCDAQFQC-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001319981430 945709359 /nfs/dbraw/zinc/70/93/59/945709359.db2.gz OFGTZPNCDAQFQC-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001319981430 945709364 /nfs/dbraw/zinc/70/93/64/945709364.db2.gz OFGTZPNCDAQFQC-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001319981430 945709370 /nfs/dbraw/zinc/70/93/70/945709370.db2.gz OFGTZPNCDAQFQC-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCC[C@@H](O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001252599630 945969640 /nfs/dbraw/zinc/96/96/40/945969640.db2.gz CYARLKJCZKCAQP-MRXNPFEDSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001252598816 945971266 /nfs/dbraw/zinc/97/12/66/945971266.db2.gz RTFZHXIJKLBBFO-TWMKSMIVSA-N 2 1 319.453 1.000 20 30 DCEDMP C=CCC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001252598816 945971269 /nfs/dbraw/zinc/97/12/69/945971269.db2.gz RTFZHXIJKLBBFO-TWMKSMIVSA-N 2 1 319.453 1.000 20 30 DCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252598816 945971279 /nfs/dbraw/zinc/97/12/79/945971279.db2.gz RTFZHXIJKLBBFO-TWMKSMIVSA-N 2 1 319.453 1.000 20 30 DCEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252598816 945971290 /nfs/dbraw/zinc/97/12/90/945971290.db2.gz RTFZHXIJKLBBFO-TWMKSMIVSA-N 2 1 319.453 1.000 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001273298028 946445586 /nfs/dbraw/zinc/44/55/86/946445586.db2.gz HDJVPRADKTXJFO-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001278882421 946542648 /nfs/dbraw/zinc/54/26/48/946542648.db2.gz GYVHGFMKQPEMDW-OAHLLOKOSA-N 2 1 308.426 0.909 20 30 DCEDMP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001278882421 946542652 /nfs/dbraw/zinc/54/26/52/946542652.db2.gz GYVHGFMKQPEMDW-OAHLLOKOSA-N 2 1 308.426 0.909 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001273323481 946629452 /nfs/dbraw/zinc/62/94/52/946629452.db2.gz NTGQRILVGFPVHE-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001322260419 946630713 /nfs/dbraw/zinc/63/07/13/946630713.db2.gz ABTUYLBZGITBHV-CQSZACIVSA-N 2 1 305.426 0.518 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001273465326 947905579 /nfs/dbraw/zinc/90/55/79/947905579.db2.gz JDBGPYWXYJRZDW-INIZCTEOSA-N 2 1 318.421 0.812 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001273465326 947905586 /nfs/dbraw/zinc/90/55/86/947905586.db2.gz JDBGPYWXYJRZDW-INIZCTEOSA-N 2 1 318.421 0.812 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001325806437 947929883 /nfs/dbraw/zinc/92/98/83/947929883.db2.gz YKFWZVKNUNUBML-INIZCTEOSA-N 2 1 320.481 0.522 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325864786 947958399 /nfs/dbraw/zinc/95/83/99/947958399.db2.gz IGKSESXTXJKCCO-GOSISDBHSA-N 2 1 321.465 0.992 20 30 DCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001327577225 948557399 /nfs/dbraw/zinc/55/73/99/948557399.db2.gz LLPFYQLDSFOSEF-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264070144 948859991 /nfs/dbraw/zinc/85/99/91/948859991.db2.gz KLVGUTJRRCGIRL-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001264421816 948970243 /nfs/dbraw/zinc/97/02/43/948970243.db2.gz VAYHGJYKSVEYDV-KLHDSHLOSA-N 2 1 307.438 0.461 20 30 DCEDMP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001328799213 949101708 /nfs/dbraw/zinc/10/17/08/949101708.db2.gz VXGQAXVHSVJJTK-INIZCTEOSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001328799213 949101720 /nfs/dbraw/zinc/10/17/20/949101720.db2.gz VXGQAXVHSVJJTK-INIZCTEOSA-N 2 1 318.421 0.764 20 30 DCEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001265367829 949633895 /nfs/dbraw/zinc/63/38/95/949633895.db2.gz FJIYXZQRSFLQIV-GDBMZVCRSA-N 2 1 300.406 0.872 20 30 DCEDMP CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001329900785 949958292 /nfs/dbraw/zinc/95/82/92/949958292.db2.gz MHLYYHVBVYVKGG-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001329900788 949958758 /nfs/dbraw/zinc/95/87/58/949958758.db2.gz MHLYYHVBVYVKGG-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001330261431 950235037 /nfs/dbraw/zinc/23/50/37/950235037.db2.gz GUGNTYWTVBELGR-CQSZACIVSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001330261431 950235051 /nfs/dbraw/zinc/23/50/51/950235051.db2.gz GUGNTYWTVBELGR-CQSZACIVSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001330261431 950235065 /nfs/dbraw/zinc/23/50/65/950235065.db2.gz GUGNTYWTVBELGR-CQSZACIVSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001330261431 950235081 /nfs/dbraw/zinc/23/50/81/950235081.db2.gz GUGNTYWTVBELGR-CQSZACIVSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001330274267 950241977 /nfs/dbraw/zinc/24/19/77/950241977.db2.gz GJNWOPRZEWOIOW-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001330274267 950241998 /nfs/dbraw/zinc/24/19/98/950241998.db2.gz GJNWOPRZEWOIOW-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001330274267 950242018 /nfs/dbraw/zinc/24/20/18/950242018.db2.gz GJNWOPRZEWOIOW-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001330275922 950242791 /nfs/dbraw/zinc/24/27/91/950242791.db2.gz MIVBEOHVAFWZAF-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001330275922 950242803 /nfs/dbraw/zinc/24/28/03/950242803.db2.gz MIVBEOHVAFWZAF-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001330275922 950242819 /nfs/dbraw/zinc/24/28/19/950242819.db2.gz MIVBEOHVAFWZAF-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001266024064 950264319 /nfs/dbraw/zinc/26/43/19/950264319.db2.gz UPTMBQHTBASGQD-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266042460 950294735 /nfs/dbraw/zinc/29/47/35/950294735.db2.gz CASATWQPHMJPKW-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266042460 950294746 /nfs/dbraw/zinc/29/47/46/950294746.db2.gz CASATWQPHMJPKW-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266042460 950294763 /nfs/dbraw/zinc/29/47/63/950294763.db2.gz CASATWQPHMJPKW-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266154790 950423042 /nfs/dbraw/zinc/42/30/42/950423042.db2.gz FZPPPXWJARXAQA-ZIAGYGMSSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001490467293 950709651 /nfs/dbraw/zinc/70/96/51/950709651.db2.gz PZUXYWPTNIQJPF-DLBZAZTESA-N 2 1 320.481 0.474 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001280462519 950885565 /nfs/dbraw/zinc/88/55/65/950885565.db2.gz WXGUUMHATXEOAR-OAHLLOKOSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCOC2)CCC1 ZINC001280485360 950898577 /nfs/dbraw/zinc/89/85/77/950898577.db2.gz JXZFHZHBNWDGCD-HOTGVXAUSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCOC2)CCC1 ZINC001280485360 950898594 /nfs/dbraw/zinc/89/85/94/950898594.db2.gz JXZFHZHBNWDGCD-HOTGVXAUSA-N 2 1 319.449 0.749 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001331144484 950958271 /nfs/dbraw/zinc/95/82/71/950958271.db2.gz IQCZWCPJYQTJAB-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331144484 950958284 /nfs/dbraw/zinc/95/82/84/950958284.db2.gz IQCZWCPJYQTJAB-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331144484 950958299 /nfs/dbraw/zinc/95/82/99/950958299.db2.gz IQCZWCPJYQTJAB-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CCN1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001316604930 951024598 /nfs/dbraw/zinc/02/45/98/951024598.db2.gz MWDJOUYEOQQSGS-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001280707012 951770832 /nfs/dbraw/zinc/77/08/32/951770832.db2.gz FSMRZUBPYMCDJD-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001280707012 951770836 /nfs/dbraw/zinc/77/08/36/951770836.db2.gz FSMRZUBPYMCDJD-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCCC[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001275978204 952581071 /nfs/dbraw/zinc/58/10/71/952581071.db2.gz MGBUNZLSJMHXHS-GOSISDBHSA-N 2 1 320.481 0.618 20 30 DCEDMP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCC[NH2+]1 ZINC001342697254 953303062 /nfs/dbraw/zinc/30/30/62/953303062.db2.gz ZKWRYEYFVWCMJV-YQQAZPJKSA-N 2 1 307.438 0.742 20 30 DCEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001282573664 953628322 /nfs/dbraw/zinc/62/83/22/953628322.db2.gz QXEHSQBIWTXJTA-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001282573664 953628329 /nfs/dbraw/zinc/62/83/29/953628329.db2.gz QXEHSQBIWTXJTA-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001282714623 953657049 /nfs/dbraw/zinc/65/70/49/953657049.db2.gz JXYINZWGXWVLSU-WBVHZDCISA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001282714623 953657055 /nfs/dbraw/zinc/65/70/55/953657055.db2.gz JXYINZWGXWVLSU-WBVHZDCISA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284056104 954818037 /nfs/dbraw/zinc/81/80/37/954818037.db2.gz DYRDOJLWRRQVTO-RYRKJORJSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284056104 954818050 /nfs/dbraw/zinc/81/80/50/954818050.db2.gz DYRDOJLWRRQVTO-RYRKJORJSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001284056104 954818065 /nfs/dbraw/zinc/81/80/65/954818065.db2.gz DYRDOJLWRRQVTO-RYRKJORJSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001284056104 954818079 /nfs/dbraw/zinc/81/80/79/954818079.db2.gz DYRDOJLWRRQVTO-RYRKJORJSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001284443592 955099968 /nfs/dbraw/zinc/09/99/68/955099968.db2.gz DHGMHVTVLHESKY-GDBMZVCRSA-N 2 1 318.421 0.186 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001284518441 955151351 /nfs/dbraw/zinc/15/13/51/955151351.db2.gz CFCOAVYZDOVNBQ-CVEARBPZSA-N 2 1 309.454 0.491 20 30 DCEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367665004 958307939 /nfs/dbraw/zinc/30/79/39/958307939.db2.gz MDNHOJAZKYVYEY-CJNGLKHVSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367665004 958307946 /nfs/dbraw/zinc/30/79/46/958307946.db2.gz MDNHOJAZKYVYEY-CJNGLKHVSA-N 2 1 316.405 0.483 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001316739765 960362827 /nfs/dbraw/zinc/36/28/27/960362827.db2.gz DIVFJHJUTIEYSM-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001382184304 967024243 /nfs/dbraw/zinc/02/42/43/967024243.db2.gz NYIOIDDGJVENNU-QWRGUYRKSA-N 2 1 320.231 0.056 20 30 DCEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382184304 967024251 /nfs/dbraw/zinc/02/42/51/967024251.db2.gz NYIOIDDGJVENNU-QWRGUYRKSA-N 2 1 320.231 0.056 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)C[NH+](CC)CC ZINC001526607950 1015309891 /nfs/dbraw/zinc/30/98/91/1015309891.db2.gz MBGNYVJLJZOWAK-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)C[NH+](CC)CC ZINC001526607950 1015309904 /nfs/dbraw/zinc/30/99/04/1015309904.db2.gz MBGNYVJLJZOWAK-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(C)C)C1 ZINC001502573945 1015978830 /nfs/dbraw/zinc/97/88/30/1015978830.db2.gz WKFBVHVBSSCFMV-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(C)C)C1 ZINC001502573945 1015978832 /nfs/dbraw/zinc/97/88/32/1015978832.db2.gz WKFBVHVBSSCFMV-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001502778778 1016071166 /nfs/dbraw/zinc/07/11/66/1016071166.db2.gz FWPJDVJSTAVCOT-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001502800524 1016077006 /nfs/dbraw/zinc/07/70/06/1016077006.db2.gz KMPGLCLMHXRWSP-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001507207149 1016124968 /nfs/dbraw/zinc/12/49/68/1016124968.db2.gz HBMWOEQJDGUKNO-GDBMZVCRSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001503712207 1016172568 /nfs/dbraw/zinc/17/25/68/1016172568.db2.gz UVSQCDVUUKKJRY-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001507704943 1016539024 /nfs/dbraw/zinc/53/90/24/1016539024.db2.gz FLBUBOCWMRUPEG-OAHLLOKOSA-N 2 1 320.437 0.781 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001507704943 1016539038 /nfs/dbraw/zinc/53/90/38/1016539038.db2.gz FLBUBOCWMRUPEG-OAHLLOKOSA-N 2 1 320.437 0.781 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001406297478 1003580048 /nfs/dbraw/zinc/58/00/48/1003580048.db2.gz FXHODXHWRGYTAX-QWHCGFSZSA-N 2 1 303.834 0.680 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001506096362 1017009823 /nfs/dbraw/zinc/00/98/23/1017009823.db2.gz LAUFTGLCKUMELY-OAHLLOKOSA-N 2 1 307.438 0.457 20 30 DCEDMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(C#N)s1 ZINC001441783767 1008501484 /nfs/dbraw/zinc/50/14/84/1008501484.db2.gz ILJAJPJPGUNGKR-BXUZGUMPSA-N 2 1 322.434 0.545 20 30 DCEDMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(C#N)s1 ZINC001441783767 1008501486 /nfs/dbraw/zinc/50/14/86/1008501486.db2.gz ILJAJPJPGUNGKR-BXUZGUMPSA-N 2 1 322.434 0.545 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001423252553 1011019130 /nfs/dbraw/zinc/01/91/30/1011019130.db2.gz SPZSOISLMRYHBJ-ZIAGYGMSSA-N 2 1 317.861 0.928 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001423252553 1011019134 /nfs/dbraw/zinc/01/91/34/1011019134.db2.gz SPZSOISLMRYHBJ-ZIAGYGMSSA-N 2 1 317.861 0.928 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001478142664 1017324466 /nfs/dbraw/zinc/32/44/66/1017324466.db2.gz MTLZKDNQJCXDRP-HOTGVXAUSA-N 2 1 322.453 0.494 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001499512054 1017956039 /nfs/dbraw/zinc/95/60/39/1017956039.db2.gz YMEUXJJUNZXBBR-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001479963377 1018058560 /nfs/dbraw/zinc/05/85/60/1018058560.db2.gz BQMWXCZAADMVBO-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001479963377 1018058569 /nfs/dbraw/zinc/05/85/69/1018058569.db2.gz BQMWXCZAADMVBO-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494860659 1018111032 /nfs/dbraw/zinc/11/10/32/1018111032.db2.gz AFSNAKQWCMVGEF-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494860659 1018111041 /nfs/dbraw/zinc/11/10/41/1018111041.db2.gz AFSNAKQWCMVGEF-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001494864081 1018114512 /nfs/dbraw/zinc/11/45/12/1018114512.db2.gz PRUIENGHRKHLJM-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001494864081 1018114515 /nfs/dbraw/zinc/11/45/15/1018114515.db2.gz PRUIENGHRKHLJM-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001494864081 1018114522 /nfs/dbraw/zinc/11/45/22/1018114522.db2.gz PRUIENGHRKHLJM-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001494864081 1018114529 /nfs/dbraw/zinc/11/45/29/1018114529.db2.gz PRUIENGHRKHLJM-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CCN(C(=O)CC[NH+]1CCOCC1)C1CC[NH+](CC=C)CC1 ZINC001500052280 1018190655 /nfs/dbraw/zinc/19/06/55/1018190655.db2.gz VZVYIJWKQBMFJY-UHFFFAOYSA-N 2 1 319.449 0.821 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCOC ZINC001480351021 1018459228 /nfs/dbraw/zinc/45/92/28/1018459228.db2.gz HANRFDPHNDJGFQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCOC ZINC001480351021 1018459236 /nfs/dbraw/zinc/45/92/36/1018459236.db2.gz HANRFDPHNDJGFQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001500736629 1018618973 /nfs/dbraw/zinc/61/89/73/1018618973.db2.gz VWZYULLTRAHNSI-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001500736629 1018618975 /nfs/dbraw/zinc/61/89/75/1018618975.db2.gz VWZYULLTRAHNSI-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001500736629 1018618979 /nfs/dbraw/zinc/61/89/79/1018618979.db2.gz VWZYULLTRAHNSI-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480721102 1018808674 /nfs/dbraw/zinc/80/86/74/1018808674.db2.gz IQXNMTHLMWYKNX-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480721102 1018808695 /nfs/dbraw/zinc/80/86/95/1018808695.db2.gz IQXNMTHLMWYKNX-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480721102 1018808715 /nfs/dbraw/zinc/80/87/15/1018808715.db2.gz IQXNMTHLMWYKNX-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480721102 1018808732 /nfs/dbraw/zinc/80/87/32/1018808732.db2.gz IQXNMTHLMWYKNX-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001502044117 1019653131 /nfs/dbraw/zinc/65/31/31/1019653131.db2.gz TWJQUCMFNBHGLE-STQMWFEESA-N 2 1 301.818 0.650 20 30 DCEDMP C=CC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001494101762 1019984794 /nfs/dbraw/zinc/98/47/94/1019984794.db2.gz FOCCZLDWFPCBGT-INIZCTEOSA-N 2 1 308.470 0.590 20 30 DCEDMP CN1CC[NH+]=C1NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000262672523 529778999 /nfs/dbraw/zinc/77/89/99/529778999.db2.gz RVKSVFSFALCIFW-UHFFFAOYSA-N 2 1 315.421 0.465 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)c1ccccc1F ZINC000264086984 238190149 /nfs/dbraw/zinc/19/01/49/238190149.db2.gz JUAAPWUONSIMSW-OAHLLOKOSA-N 2 1 324.400 0.486 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1cccc(F)c1 ZINC000264112640 238191138 /nfs/dbraw/zinc/19/11/38/238191138.db2.gz RMUJMMTWDWNOML-UHFFFAOYSA-N 2 1 324.400 0.831 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](CO)c1ccccc1 ZINC000267428127 238226010 /nfs/dbraw/zinc/22/60/10/238226010.db2.gz LYWHHBLPYDHFIH-MRXNPFEDSA-N 2 1 320.437 0.389 20 30 DCEDMP CN(C(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000273360907 238289336 /nfs/dbraw/zinc/28/93/36/238289336.db2.gz SSQSOYOLUXPQMK-UHFFFAOYSA-N 2 1 317.441 0.398 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000491783272 533146676 /nfs/dbraw/zinc/14/66/76/533146676.db2.gz QTWDLWDYJXPBTH-LSDHHAIUSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000491783272 533146683 /nfs/dbraw/zinc/14/66/83/533146683.db2.gz QTWDLWDYJXPBTH-LSDHHAIUSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCNC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000491782514 533161925 /nfs/dbraw/zinc/16/19/25/533161925.db2.gz MNWYVIOTVOCAJD-XYPWUTKMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCNC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000491782514 533161931 /nfs/dbraw/zinc/16/19/31/533161931.db2.gz MNWYVIOTVOCAJD-XYPWUTKMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCNC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000491782514 533161934 /nfs/dbraw/zinc/16/19/34/533161934.db2.gz MNWYVIOTVOCAJD-XYPWUTKMSA-N 2 1 307.438 0.700 20 30 DCEDMP CNC(NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)=[NH+]C ZINC000066245656 396004076 /nfs/dbraw/zinc/00/40/76/396004076.db2.gz ITJMMAIOAKBBIS-UHFFFAOYSA-N 2 1 313.446 0.724 20 30 DCEDMP CC[N@@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CC1 ZINC000264324819 396271327 /nfs/dbraw/zinc/27/13/27/396271327.db2.gz YNPLEBKZQJEVQQ-UHFFFAOYSA-N 2 1 317.441 0.398 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOCc1ccccc1 ZINC000083053030 396312139 /nfs/dbraw/zinc/31/21/39/396312139.db2.gz KDIXEJWFJIKAOJ-UHFFFAOYSA-N 2 1 320.437 0.830 20 30 DCEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000598721353 397284442 /nfs/dbraw/zinc/28/44/42/397284442.db2.gz VMTONIIXBWFBQL-UONOGXRCSA-N 2 1 310.442 0.464 20 30 DCEDMP C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330291747 416200699 /nfs/dbraw/zinc/20/06/99/416200699.db2.gz CXNZFMNSKFVKPB-CABCVRRESA-N 2 1 310.442 0.526 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000491652723 416609507 /nfs/dbraw/zinc/60/95/07/416609507.db2.gz BCBBMASUAPIKPX-INIZCTEOSA-N 2 1 324.469 0.742 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000491652723 416609510 /nfs/dbraw/zinc/60/95/10/416609510.db2.gz BCBBMASUAPIKPX-INIZCTEOSA-N 2 1 324.469 0.742 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000491652723 416609513 /nfs/dbraw/zinc/60/95/13/416609513.db2.gz BCBBMASUAPIKPX-INIZCTEOSA-N 2 1 324.469 0.742 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000491785414 416628543 /nfs/dbraw/zinc/62/85/43/416628543.db2.gz UVESJOVJGIDSBU-UHFFFAOYSA-N 2 1 324.469 0.430 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000491785414 416628546 /nfs/dbraw/zinc/62/85/46/416628546.db2.gz UVESJOVJGIDSBU-UHFFFAOYSA-N 2 1 324.469 0.430 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000491785414 416628549 /nfs/dbraw/zinc/62/85/49/416628549.db2.gz UVESJOVJGIDSBU-UHFFFAOYSA-N 2 1 324.469 0.430 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCOCC)CC1 ZINC000491803550 416630118 /nfs/dbraw/zinc/63/01/18/416630118.db2.gz JYQWSZWIPBLFDR-UHFFFAOYSA-N 2 1 310.442 0.305 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCOCC)CC1 ZINC000491803550 416630122 /nfs/dbraw/zinc/63/01/22/416630122.db2.gz JYQWSZWIPBLFDR-UHFFFAOYSA-N 2 1 310.442 0.305 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370704805 416899092 /nfs/dbraw/zinc/89/90/92/416899092.db2.gz BNAPVNCRQPAWHI-UHFFFAOYSA-N 2 1 308.426 0.806 20 30 DCEDMP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[N@@H+](C)C1CC1 ZINC000264260264 278218198 /nfs/dbraw/zinc/21/81/98/278218198.db2.gz JCNNJXWPRLHGAE-ZDUSSCGKSA-N 2 1 317.441 0.396 20 30 DCEDMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000329940766 336097814 /nfs/dbraw/zinc/09/78/14/336097814.db2.gz UPRAWSUIHIPXGJ-CQSZACIVSA-N 2 1 312.458 0.820 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892962 337022323 /nfs/dbraw/zinc/02/23/23/337022323.db2.gz WLYRFLQTYCDVPB-HOTGVXAUSA-N 2 1 306.454 0.225 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892962 337022324 /nfs/dbraw/zinc/02/23/24/337022324.db2.gz WLYRFLQTYCDVPB-HOTGVXAUSA-N 2 1 306.454 0.225 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000188714690 337221116 /nfs/dbraw/zinc/22/11/16/337221116.db2.gz CIVQEEPIWPWTEI-HNNXBMFYSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000130438588 341021685 /nfs/dbraw/zinc/02/16/85/341021685.db2.gz MOSXPPCHBPBVBB-UHFFFAOYSA-N 2 1 317.437 0.291 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000130438588 341021686 /nfs/dbraw/zinc/02/16/86/341021686.db2.gz MOSXPPCHBPBVBB-UHFFFAOYSA-N 2 1 317.437 0.291 20 30 DCEDMP CN(CCC#N)C(=O)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000577639068 341926527 /nfs/dbraw/zinc/92/65/27/341926527.db2.gz HUYWSDZEMORNFL-UHFFFAOYSA-N 2 1 322.453 0.575 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001569307078 1161007656 /nfs/dbraw/zinc/00/76/56/1161007656.db2.gz AZHOKXVMMXXECU-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)C[C@H](C)O)CC1 ZINC001570218496 1161495223 /nfs/dbraw/zinc/49/52/23/1161495223.db2.gz VNHRIOXXGGSJSS-HNNXBMFYSA-N 2 1 309.454 0.493 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570217038 1161497152 /nfs/dbraw/zinc/49/71/52/1161497152.db2.gz VXIWTVGXPBVRQL-CQSZACIVSA-N 2 1 310.442 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570217038 1161497168 /nfs/dbraw/zinc/49/71/68/1161497168.db2.gz VXIWTVGXPBVRQL-CQSZACIVSA-N 2 1 310.442 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570217038 1161497180 /nfs/dbraw/zinc/49/71/80/1161497180.db2.gz VXIWTVGXPBVRQL-CQSZACIVSA-N 2 1 310.442 0.021 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCO[C@@H](COC)C1 ZINC000261764440 526371128 /nfs/dbraw/zinc/37/11/28/526371128.db2.gz DFUXHLOGAIWQJL-DZGCQCFKSA-N 2 1 310.442 0.393 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261972101 526381886 /nfs/dbraw/zinc/38/18/86/526381886.db2.gz NATOWGWORULOOB-GXFFZTMASA-N 2 1 319.409 0.526 20 30 DCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208507 661101547 /nfs/dbraw/zinc/10/15/47/661101547.db2.gz ALBXCHFHGJDIEB-HZPDHXFCSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208507 661101548 /nfs/dbraw/zinc/10/15/48/661101548.db2.gz ALBXCHFHGJDIEB-HZPDHXFCSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208507 661101550 /nfs/dbraw/zinc/10/15/50/661101550.db2.gz ALBXCHFHGJDIEB-HZPDHXFCSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208507 661101551 /nfs/dbraw/zinc/10/15/51/661101551.db2.gz ALBXCHFHGJDIEB-HZPDHXFCSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982071241 661287578 /nfs/dbraw/zinc/28/75/78/661287578.db2.gz FCNFAQOUPJTPOL-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982071241 661287580 /nfs/dbraw/zinc/28/75/80/661287580.db2.gz FCNFAQOUPJTPOL-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949244486 657489475 /nfs/dbraw/zinc/48/94/75/657489475.db2.gz KDOZRUYVMVSOSA-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001022221920 657567255 /nfs/dbraw/zinc/56/72/55/657567255.db2.gz RAHXGSUSOISPKE-WCVJEAGWSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001022221920 657567260 /nfs/dbraw/zinc/56/72/60/657567260.db2.gz RAHXGSUSOISPKE-WCVJEAGWSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001023421855 657848781 /nfs/dbraw/zinc/84/87/81/657848781.db2.gz IXZAUWGRQFBYRE-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCO)C1 ZINC001023421855 657848787 /nfs/dbraw/zinc/84/87/87/657848787.db2.gz IXZAUWGRQFBYRE-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCO)C1 ZINC001023421855 657848794 /nfs/dbraw/zinc/84/87/94/657848794.db2.gz IXZAUWGRQFBYRE-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCO)C1 ZINC001023421855 657848798 /nfs/dbraw/zinc/84/87/98/657848798.db2.gz IXZAUWGRQFBYRE-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968817 658103919 /nfs/dbraw/zinc/10/39/19/658103919.db2.gz IEVPDLMHHJRMKX-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971968817 658103922 /nfs/dbraw/zinc/10/39/22/658103922.db2.gz IEVPDLMHHJRMKX-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971968817 658103925 /nfs/dbraw/zinc/10/39/25/658103925.db2.gz IEVPDLMHHJRMKX-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972637796 658138520 /nfs/dbraw/zinc/13/85/20/658138520.db2.gz DZOICUMYIUUUAC-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972637796 658138525 /nfs/dbraw/zinc/13/85/25/658138525.db2.gz DZOICUMYIUUUAC-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972637796 658138530 /nfs/dbraw/zinc/13/85/30/658138530.db2.gz DZOICUMYIUUUAC-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972637796 658138535 /nfs/dbraw/zinc/13/85/35/658138535.db2.gz DZOICUMYIUUUAC-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970191020 658717592 /nfs/dbraw/zinc/71/75/92/658717592.db2.gz PVLWLHKHTJQNLO-QBPRILJRSA-N 2 1 317.433 0.309 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999356192 665631373 /nfs/dbraw/zinc/63/13/73/665631373.db2.gz YRKSNAIJVCAUQF-CVEARBPZSA-N 2 1 319.453 0.970 20 30 DCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999356193 665631250 /nfs/dbraw/zinc/63/12/50/665631250.db2.gz YRKSNAIJVCAUQF-HOTGVXAUSA-N 2 1 319.453 0.970 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000104168495 659618778 /nfs/dbraw/zinc/61/87/78/659618778.db2.gz GZJRVJBNLAMFHG-HNNXBMFYSA-N 3 1 310.490 0.013 20 30 DCEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960073 665719051 /nfs/dbraw/zinc/71/90/51/665719051.db2.gz BJKWKKYEKOUBLK-CABCVRRESA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960073 665719054 /nfs/dbraw/zinc/71/90/54/665719054.db2.gz BJKWKKYEKOUBLK-CABCVRRESA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960073 665719056 /nfs/dbraw/zinc/71/90/56/665719056.db2.gz BJKWKKYEKOUBLK-CABCVRRESA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960076 665719325 /nfs/dbraw/zinc/71/93/25/665719325.db2.gz BJKWKKYEKOUBLK-HUUCEWRRSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960076 665719326 /nfs/dbraw/zinc/71/93/26/665719326.db2.gz BJKWKKYEKOUBLK-HUUCEWRRSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960076 665719327 /nfs/dbraw/zinc/71/93/27/665719327.db2.gz BJKWKKYEKOUBLK-HUUCEWRRSA-N 2 1 318.425 0.421 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982165747 661300063 /nfs/dbraw/zinc/30/00/63/661300063.db2.gz RQAJQYQZGBQOGP-UHFFFAOYSA-N 2 1 317.437 0.616 20 30 DCEDMP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000261974132 661937921 /nfs/dbraw/zinc/93/79/21/661937921.db2.gz NJFMQJDDKGQNGF-CMPLNLGQSA-N 2 1 305.430 0.414 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648941 665822241 /nfs/dbraw/zinc/82/22/41/665822241.db2.gz JXKMYBSIIRVVFT-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648941 665822245 /nfs/dbraw/zinc/82/22/45/665822245.db2.gz JXKMYBSIIRVVFT-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648941 665822248 /nfs/dbraw/zinc/82/22/48/665822248.db2.gz JXKMYBSIIRVVFT-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648941 665822249 /nfs/dbraw/zinc/82/22/49/665822249.db2.gz JXKMYBSIIRVVFT-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648941 665822253 /nfs/dbraw/zinc/82/22/53/665822253.db2.gz JXKMYBSIIRVVFT-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648016 665822394 /nfs/dbraw/zinc/82/23/94/665822394.db2.gz VMBBOIMNOXSHSO-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000925317604 662918079 /nfs/dbraw/zinc/91/80/79/662918079.db2.gz REWCVUHQXJDPTI-GJZGRUSLSA-N 2 1 318.421 0.490 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000925317604 662918080 /nfs/dbraw/zinc/91/80/80/662918080.db2.gz REWCVUHQXJDPTI-GJZGRUSLSA-N 2 1 318.421 0.490 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)CC1 ZINC000941237570 665954286 /nfs/dbraw/zinc/95/42/86/665954286.db2.gz PDMFRMTXFTXJOZ-INIZCTEOSA-N 2 1 321.465 0.541 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)C1=O ZINC000903912323 663494977 /nfs/dbraw/zinc/49/49/77/663494977.db2.gz DCMXBHLRVNMNKQ-GOEBONIOSA-N 2 1 319.453 0.565 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)C1=O ZINC000903912323 663494978 /nfs/dbraw/zinc/49/49/78/663494978.db2.gz DCMXBHLRVNMNKQ-GOEBONIOSA-N 2 1 319.453 0.565 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355451 664115469 /nfs/dbraw/zinc/11/54/69/664115469.db2.gz BHBVDLXTYVUHJO-YFHUEUNASA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355451 664115470 /nfs/dbraw/zinc/11/54/70/664115470.db2.gz BHBVDLXTYVUHJO-YFHUEUNASA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355451 664115471 /nfs/dbraw/zinc/11/54/71/664115471.db2.gz BHBVDLXTYVUHJO-YFHUEUNASA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355451 664115473 /nfs/dbraw/zinc/11/54/73/664115473.db2.gz BHBVDLXTYVUHJO-YFHUEUNASA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991357385 664120611 /nfs/dbraw/zinc/12/06/11/664120611.db2.gz FGZCHMLFOPMTRF-CBZIJGRNSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991357385 664120613 /nfs/dbraw/zinc/12/06/13/664120613.db2.gz FGZCHMLFOPMTRF-CBZIJGRNSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991357385 664120614 /nfs/dbraw/zinc/12/06/14/664120614.db2.gz FGZCHMLFOPMTRF-CBZIJGRNSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991357385 664120618 /nfs/dbraw/zinc/12/06/18/664120618.db2.gz FGZCHMLFOPMTRF-CBZIJGRNSA-N 2 1 319.449 0.842 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCSC(F)(F)F ZINC000170905169 664594884 /nfs/dbraw/zinc/59/48/84/664594884.db2.gz HUHLIJHDEHZQIW-UHFFFAOYSA-N 2 1 314.377 0.866 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000916841756 665096694 /nfs/dbraw/zinc/09/66/94/665096694.db2.gz HXXZYADPAJTDBQ-JKSUJKDBSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCO)[C@@H]2C)CC1 ZINC000994495752 665116544 /nfs/dbraw/zinc/11/65/44/665116544.db2.gz GRYVWCOGUYXZAS-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000921436871 665304410 /nfs/dbraw/zinc/30/44/10/665304410.db2.gz FWHFAGKEAQNOJH-UHFFFAOYSA-N 2 1 313.467 0.489 20 30 DCEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727927 665352350 /nfs/dbraw/zinc/35/23/50/665352350.db2.gz ZFRRELJNSSDVFR-INIZCTEOSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001031742828 665399847 /nfs/dbraw/zinc/39/98/47/665399847.db2.gz SZQABUYTBKTKOH-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001031742828 665399849 /nfs/dbraw/zinc/39/98/49/665399849.db2.gz SZQABUYTBKTKOH-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003497368 666318817 /nfs/dbraw/zinc/31/88/17/666318817.db2.gz UQXGRKRIDHOSHS-INIZCTEOSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003497368 666318819 /nfs/dbraw/zinc/31/88/19/666318819.db2.gz UQXGRKRIDHOSHS-INIZCTEOSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC001035239554 667275373 /nfs/dbraw/zinc/27/53/73/667275373.db2.gz IFKNDSXGIAMLMJ-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC001035239554 667275375 /nfs/dbraw/zinc/27/53/75/667275375.db2.gz IFKNDSXGIAMLMJ-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035477585 667353167 /nfs/dbraw/zinc/35/31/67/667353167.db2.gz IIBDCYGUNYMRLY-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001035477585 667353170 /nfs/dbraw/zinc/35/31/70/667353170.db2.gz IIBDCYGUNYMRLY-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035477585 667353173 /nfs/dbraw/zinc/35/31/73/667353173.db2.gz IIBDCYGUNYMRLY-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035477585 667353176 /nfs/dbraw/zinc/35/31/76/667353176.db2.gz IIBDCYGUNYMRLY-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC[N@@H+](C)CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884192346 667494023 /nfs/dbraw/zinc/49/40/23/667494023.db2.gz CTBWNOOONYXCRY-NPCAHTBFSA-N 2 1 308.426 0.210 20 30 DCEDMP C=CCC1(O)CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000887306696 667868901 /nfs/dbraw/zinc/86/89/01/667868901.db2.gz ZJFADIUCQJFFKW-AWEZNQCLSA-N 2 1 323.437 0.469 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CC#C)C2)CC1 ZINC000924037191 668187269 /nfs/dbraw/zinc/18/72/69/668187269.db2.gz RCUSJIMXZNPXEE-INIZCTEOSA-N 2 1 302.422 0.481 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CC#C)C2)CC1 ZINC000924037191 668187271 /nfs/dbraw/zinc/18/72/71/668187271.db2.gz RCUSJIMXZNPXEE-INIZCTEOSA-N 2 1 302.422 0.481 20 30 DCEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCCC#N)[C@H](C)C1 ZINC000787307015 669366862 /nfs/dbraw/zinc/36/68/62/669366862.db2.gz ZXIKQGLVRNSFII-CABCVRRESA-N 2 1 310.442 0.743 20 30 DCEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCCC#N)[C@H](C)C1 ZINC000787307015 669366867 /nfs/dbraw/zinc/36/68/67/669366867.db2.gz ZXIKQGLVRNSFII-CABCVRRESA-N 2 1 310.442 0.743 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001752375123 1157919834 /nfs/dbraw/zinc/91/98/34/1157919834.db2.gz IVGDWIMNSHDXFR-UHFFFAOYSA-N 2 1 306.454 0.229 20 30 DCEDMP CC(C)(O)C[NH+]1CCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000814230319 670682192 /nfs/dbraw/zinc/68/21/92/670682192.db2.gz MRHIXCIJKCZZKW-UHFFFAOYSA-N 2 1 312.458 0.521 20 30 DCEDMP C=CCCn1cc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)nn1 ZINC000848511237 670693737 /nfs/dbraw/zinc/69/37/37/670693737.db2.gz LNGOYHZJHDJJOJ-CQSZACIVSA-N 2 1 322.413 0.962 20 30 DCEDMP C=CCCn1cc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)nn1 ZINC000848511237 670693739 /nfs/dbraw/zinc/69/37/39/670693739.db2.gz LNGOYHZJHDJJOJ-CQSZACIVSA-N 2 1 322.413 0.962 20 30 DCEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819058999 671090204 /nfs/dbraw/zinc/09/02/04/671090204.db2.gz AYXZZMAQOGWGDN-MRXNPFEDSA-N 2 1 316.405 0.345 20 30 DCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000819062780 671091121 /nfs/dbraw/zinc/09/11/21/671091121.db2.gz SWASCYPVHWJJBW-IRXDYDNUSA-N 2 1 324.469 0.426 20 30 DCEDMP C[NH+](C)CCN1CCC(CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852862041 671177394 /nfs/dbraw/zinc/17/73/94/671177394.db2.gz QVVKDUUJZAUQQK-UHFFFAOYSA-N 2 1 320.481 0.379 20 30 DCEDMP C=CC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000111166637 671221554 /nfs/dbraw/zinc/22/15/54/671221554.db2.gz HKMZDWUMKNSFTM-UHFFFAOYSA-N 2 1 306.410 0.858 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ocnc2C)C1 ZINC001020251000 693746070 /nfs/dbraw/zinc/74/60/70/693746070.db2.gz ZSQBGMQNMLRYAL-KKUMJFAQSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ocnc2C)C1 ZINC001020251000 693746072 /nfs/dbraw/zinc/74/60/72/693746072.db2.gz ZSQBGMQNMLRYAL-KKUMJFAQSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024701586 693819537 /nfs/dbraw/zinc/81/95/37/693819537.db2.gz GKENGLMAAPSHGN-INIZCTEOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024701586 693819545 /nfs/dbraw/zinc/81/95/45/693819545.db2.gz GKENGLMAAPSHGN-INIZCTEOSA-N 2 1 317.437 0.662 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000958199277 687428855 /nfs/dbraw/zinc/42/88/55/687428855.db2.gz GLKXRSUJSOEFSH-BBRMVZONSA-N 2 1 314.389 0.851 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC000958201439 687430814 /nfs/dbraw/zinc/43/08/14/687430814.db2.gz ZHMHCESVHJBPQU-IUODEOHRSA-N 2 1 322.409 0.335 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC000958201439 687430818 /nfs/dbraw/zinc/43/08/18/687430818.db2.gz ZHMHCESVHJBPQU-IUODEOHRSA-N 2 1 322.409 0.335 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214829 687447859 /nfs/dbraw/zinc/44/78/59/687447859.db2.gz NNEHAMQRNNMZBR-LSDHHAIUSA-N 2 1 305.422 0.047 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266667 687495346 /nfs/dbraw/zinc/49/53/46/687495346.db2.gz BBNDSHCQQAAUCC-ZFWWWQNUSA-N 2 1 300.362 0.543 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC000958581155 687769627 /nfs/dbraw/zinc/76/96/27/687769627.db2.gz MVKOECVUYFGVGL-IAGOWNOFSA-N 2 1 319.449 0.151 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2O)CC1 ZINC000958723226 687875516 /nfs/dbraw/zinc/87/55/16/687875516.db2.gz DPPBRMGCJYPISC-SJORKVTESA-N 2 1 321.465 0.397 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279164 688586248 /nfs/dbraw/zinc/58/62/48/688586248.db2.gz HSRMTNQBGGJLGU-ZBKZBXIDSA-N 2 1 317.433 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961279164 688586253 /nfs/dbraw/zinc/58/62/53/688586253.db2.gz HSRMTNQBGGJLGU-ZBKZBXIDSA-N 2 1 317.433 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961279164 688586258 /nfs/dbraw/zinc/58/62/58/688586258.db2.gz HSRMTNQBGGJLGU-ZBKZBXIDSA-N 2 1 317.433 0.472 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322987 692263278 /nfs/dbraw/zinc/26/32/78/692263278.db2.gz GLBHDFVLEKVBOB-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015322987 692263283 /nfs/dbraw/zinc/26/32/83/692263283.db2.gz GLBHDFVLEKVBOB-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015322987 692263289 /nfs/dbraw/zinc/26/32/89/692263289.db2.gz GLBHDFVLEKVBOB-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCO)CC2 ZINC001016669939 692743335 /nfs/dbraw/zinc/74/33/35/692743335.db2.gz NRBKLNGURJMNLB-HOTGVXAUSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCO)CC2 ZINC001016669939 692743336 /nfs/dbraw/zinc/74/33/36/692743336.db2.gz NRBKLNGURJMNLB-HOTGVXAUSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016684563 692746216 /nfs/dbraw/zinc/74/62/16/692746216.db2.gz DSFHFRVANCWBEL-KFWWJZLASA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016684563 692746219 /nfs/dbraw/zinc/74/62/19/692746219.db2.gz DSFHFRVANCWBEL-KFWWJZLASA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001018985870 693306829 /nfs/dbraw/zinc/30/68/29/693306829.db2.gz JROPLHMZMBTSFW-ULQDDVLXSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001018985870 693306835 /nfs/dbraw/zinc/30/68/35/693306835.db2.gz JROPLHMZMBTSFW-ULQDDVLXSA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179175 693724602 /nfs/dbraw/zinc/72/46/02/693724602.db2.gz RAIVTHTYOWBEEX-AAVRWANBSA-N 2 1 313.829 0.839 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740738 694659277 /nfs/dbraw/zinc/65/92/77/694659277.db2.gz HQXBJPTZIUFOEQ-MRXNPFEDSA-N 2 1 301.434 0.886 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070459 694997024 /nfs/dbraw/zinc/99/70/24/694997024.db2.gz KHRCPBJLQJFAHL-SYGRHNPNSA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070459 694997025 /nfs/dbraw/zinc/99/70/25/694997025.db2.gz KHRCPBJLQJFAHL-SYGRHNPNSA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070459 694997026 /nfs/dbraw/zinc/99/70/26/694997026.db2.gz KHRCPBJLQJFAHL-SYGRHNPNSA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576670 695029240 /nfs/dbraw/zinc/02/92/40/695029240.db2.gz VHHWVGQNPDCLLO-HRCADAONSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576670 695029241 /nfs/dbraw/zinc/02/92/41/695029241.db2.gz VHHWVGQNPDCLLO-HRCADAONSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001571348826 1162714032 /nfs/dbraw/zinc/71/40/32/1162714032.db2.gz QORBDFJRFPYDSH-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001571438771 1162755594 /nfs/dbraw/zinc/75/55/94/1162755594.db2.gz SYQZNWQBFAPLMG-UONOGXRCSA-N 2 1 306.410 0.397 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001691798997 1157580718 /nfs/dbraw/zinc/58/07/18/1157580718.db2.gz XYHCDWHJCKQHQC-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691798997 1157580719 /nfs/dbraw/zinc/58/07/19/1157580719.db2.gz XYHCDWHJCKQHQC-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001691798997 1157580723 /nfs/dbraw/zinc/58/07/23/1157580723.db2.gz XYHCDWHJCKQHQC-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001691123525 1157587837 /nfs/dbraw/zinc/58/78/37/1157587837.db2.gz JYVXNSDYJJCBQX-OAGGEKHMSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NCCC ZINC001691350280 1157649773 /nfs/dbraw/zinc/64/97/73/1157649773.db2.gz VAPCLVBFHXQMHW-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NCCC ZINC001691350280 1157649777 /nfs/dbraw/zinc/64/97/77/1157649777.db2.gz VAPCLVBFHXQMHW-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccns1 ZINC001691350333 1157650193 /nfs/dbraw/zinc/65/01/93/1157650193.db2.gz XDPPAWQCJZWSNI-HNNXBMFYSA-N 2 1 320.462 0.831 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccns1 ZINC001691350333 1157650195 /nfs/dbraw/zinc/65/01/95/1157650195.db2.gz XDPPAWQCJZWSNI-HNNXBMFYSA-N 2 1 320.462 0.831 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001752335302 1157911849 /nfs/dbraw/zinc/91/18/49/1157911849.db2.gz PFOVYXQXSSDHBO-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001752335302 1157911853 /nfs/dbraw/zinc/91/18/53/1157911853.db2.gz PFOVYXQXSSDHBO-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCF)CC1 ZINC001755807804 1158286903 /nfs/dbraw/zinc/28/69/03/1158286903.db2.gz LGMDTUMUXDNATN-HNNXBMFYSA-N 2 1 313.417 0.052 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCF)CC1 ZINC001755807804 1158286908 /nfs/dbraw/zinc/28/69/08/1158286908.db2.gz LGMDTUMUXDNATN-HNNXBMFYSA-N 2 1 313.417 0.052 20 30 DCEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001691655085 1158668825 /nfs/dbraw/zinc/66/88/25/1158668825.db2.gz KEZBWCGPMWXYBP-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001691655085 1158668828 /nfs/dbraw/zinc/66/88/28/1158668828.db2.gz KEZBWCGPMWXYBP-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001691686634 1158750434 /nfs/dbraw/zinc/75/04/34/1158750434.db2.gz LWPZCNYPQJWEOI-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001566640923 1159843551 /nfs/dbraw/zinc/84/35/51/1159843551.db2.gz XFGKSVNTFWKFDM-MRXNPFEDSA-N 2 1 321.469 0.508 20 30 DCEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001566640923 1159843563 /nfs/dbraw/zinc/84/35/63/1159843563.db2.gz XFGKSVNTFWKFDM-MRXNPFEDSA-N 2 1 321.469 0.508 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001565848196 1159909838 /nfs/dbraw/zinc/90/98/38/1159909838.db2.gz JDJMPWLAPSQVQA-BYNSBNAKSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCOC)C1 ZINC001565866684 1159916433 /nfs/dbraw/zinc/91/64/33/1159916433.db2.gz UDXSTZFHJKQCLI-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCOC)C1 ZINC001565866684 1159916443 /nfs/dbraw/zinc/91/64/43/1159916443.db2.gz UDXSTZFHJKQCLI-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001566532839 1160042101 /nfs/dbraw/zinc/04/21/01/1160042101.db2.gz IXMXPIZAHAAJMR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001566881590 1160176764 /nfs/dbraw/zinc/17/67/64/1160176764.db2.gz WWZAADOXQZBLTP-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001566881590 1160176770 /nfs/dbraw/zinc/17/67/70/1160176770.db2.gz WWZAADOXQZBLTP-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001566881590 1160176776 /nfs/dbraw/zinc/17/67/76/1160176776.db2.gz WWZAADOXQZBLTP-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001567718119 1160463053 /nfs/dbraw/zinc/46/30/53/1160463053.db2.gz VTWBDZSPGNUGKR-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001567720415 1160463284 /nfs/dbraw/zinc/46/32/84/1160463284.db2.gz WMWPIKSERKNOGB-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001569567565 1161151124 /nfs/dbraw/zinc/15/11/24/1161151124.db2.gz YVFSMZUJJHVSDA-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001570154926 1161452119 /nfs/dbraw/zinc/45/21/19/1161452119.db2.gz AGKJYJSNBFPOPY-MRXNPFEDSA-N 2 1 318.421 0.812 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001570290832 1161545245 /nfs/dbraw/zinc/54/52/45/1161545245.db2.gz FGIHFOGQQQCJNY-SFHVURJKSA-N 2 1 323.481 0.931 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001570370070 1161583645 /nfs/dbraw/zinc/58/36/45/1161583645.db2.gz NVMGFQNGWVPBKI-CQSZACIVSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCOCC)C1 ZINC001661788330 1174157466 /nfs/dbraw/zinc/15/74/66/1174157466.db2.gz MIYVDEWEUMIEMR-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCOCC)C1 ZINC001661788330 1174157468 /nfs/dbraw/zinc/15/74/68/1174157468.db2.gz MIYVDEWEUMIEMR-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001663620969 1174333865 /nfs/dbraw/zinc/33/38/65/1174333865.db2.gz SUPQUWDUJOGOCM-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001663620969 1174333872 /nfs/dbraw/zinc/33/38/72/1174333872.db2.gz SUPQUWDUJOGOCM-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001663620969 1174333880 /nfs/dbraw/zinc/33/38/80/1174333880.db2.gz SUPQUWDUJOGOCM-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C#CCC[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001663944378 1174373835 /nfs/dbraw/zinc/37/38/35/1174373835.db2.gz SGFOWHFNRIIRFM-HNNXBMFYSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CCC[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001663944378 1174373840 /nfs/dbraw/zinc/37/38/40/1174373840.db2.gz SGFOWHFNRIIRFM-HNNXBMFYSA-N 2 1 303.410 0.861 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001666447233 1174603496 /nfs/dbraw/zinc/60/34/96/1174603496.db2.gz QYZNSDNNVBJODR-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnns1 ZINC001666563041 1174610604 /nfs/dbraw/zinc/61/06/04/1174610604.db2.gz GMRCXHDLKUPHPF-JSGCOSHPSA-N 2 1 321.450 0.478 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnns1 ZINC001666563041 1174610605 /nfs/dbraw/zinc/61/06/05/1174610605.db2.gz GMRCXHDLKUPHPF-JSGCOSHPSA-N 2 1 321.450 0.478 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001667346216 1174677093 /nfs/dbraw/zinc/67/70/93/1174677093.db2.gz OMWKNCGEKRURFN-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001668242744 1174771814 /nfs/dbraw/zinc/77/18/14/1174771814.db2.gz DWJLCAKQQTWHKE-CYBMUJFWSA-N 2 1 303.834 0.946 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672043712 1175070389 /nfs/dbraw/zinc/07/03/89/1175070389.db2.gz AOPNPMZHLFZHBR-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001672217072 1175090024 /nfs/dbraw/zinc/09/00/24/1175090024.db2.gz XUYFKXZGNKKVFW-HZPDHXFCSA-N 2 1 318.421 0.668 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672529256 1175122976 /nfs/dbraw/zinc/12/29/76/1175122976.db2.gz BXYVZVXEMQVOHZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CCO1 ZINC001673274792 1175184260 /nfs/dbraw/zinc/18/42/60/1175184260.db2.gz ZKCPNGNIWZEJMU-LSDHHAIUSA-N 2 1 318.421 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCCC)C1 ZINC001673676474 1175222416 /nfs/dbraw/zinc/22/24/16/1175222416.db2.gz SOJUXKFEZRCQFF-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCCC)C1 ZINC001673676474 1175222420 /nfs/dbraw/zinc/22/24/20/1175222420.db2.gz SOJUXKFEZRCQFF-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)COC)C1 ZINC001673802519 1175231942 /nfs/dbraw/zinc/23/19/42/1175231942.db2.gz JMYJCURHFMJQGC-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)COC)C1 ZINC001673802519 1175231948 /nfs/dbraw/zinc/23/19/48/1175231948.db2.gz JMYJCURHFMJQGC-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001674001941 1175244927 /nfs/dbraw/zinc/24/49/27/1175244927.db2.gz PBIMWIIILAWYLM-UHFFFAOYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001674085375 1175252020 /nfs/dbraw/zinc/25/20/20/1175252020.db2.gz SOZTVICWZPLHKI-INIZCTEOSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001674154460 1175261537 /nfs/dbraw/zinc/26/15/37/1175261537.db2.gz LGYRKWIIOYJHSQ-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001674154460 1175261540 /nfs/dbraw/zinc/26/15/40/1175261540.db2.gz LGYRKWIIOYJHSQ-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001674154460 1175261543 /nfs/dbraw/zinc/26/15/43/1175261543.db2.gz LGYRKWIIOYJHSQ-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001674154460 1175261546 /nfs/dbraw/zinc/26/15/46/1175261546.db2.gz LGYRKWIIOYJHSQ-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001676113739 1175422254 /nfs/dbraw/zinc/42/22/54/1175422254.db2.gz BDPBYBSRODZUOX-CQSZACIVSA-N 2 1 306.410 0.696 20 30 DCEDMP C#CC[N@H+](C)CCOCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001676131658 1175424210 /nfs/dbraw/zinc/42/42/10/1175424210.db2.gz VJVNLSTXPARROK-UHFFFAOYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001677160069 1175538854 /nfs/dbraw/zinc/53/88/54/1175538854.db2.gz CEKHHOCBUJQRMZ-HUUCEWRRSA-N 2 1 320.437 0.773 20 30 DCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001677160068 1175539648 /nfs/dbraw/zinc/53/96/48/1175539648.db2.gz CEKHHOCBUJQRMZ-GJZGRUSLSA-N 2 1 320.437 0.773 20 30 DCEDMP CC[C@@H](C(=O)NCC1=CC[N@@H+](CC#CCOC)CC1)[NH+](C)C ZINC001677603666 1175586006 /nfs/dbraw/zinc/58/60/06/1175586006.db2.gz YTNJHTUWYIBTPM-INIZCTEOSA-N 2 1 307.438 0.725 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001689210509 1176744152 /nfs/dbraw/zinc/74/41/52/1176744152.db2.gz LBXUMGCIWQWNMM-KRWDZBQOSA-N 2 1 321.465 0.781 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001690074478 1177162502 /nfs/dbraw/zinc/16/25/02/1177162502.db2.gz FOBPKPIWVQOYIS-KRWDZBQOSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001690074478 1177162511 /nfs/dbraw/zinc/16/25/11/1177162511.db2.gz FOBPKPIWVQOYIS-KRWDZBQOSA-N 2 1 320.481 0.474 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001690078221 1177164044 /nfs/dbraw/zinc/16/40/44/1177164044.db2.gz MBBGHPSMKULLKX-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001690078221 1177164047 /nfs/dbraw/zinc/16/40/47/1177164047.db2.gz MBBGHPSMKULLKX-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691924902 1177385008 /nfs/dbraw/zinc/38/50/08/1177385008.db2.gz MVVHDINLPCSNJY-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691924902 1177385016 /nfs/dbraw/zinc/38/50/16/1177385016.db2.gz MVVHDINLPCSNJY-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691924902 1177385021 /nfs/dbraw/zinc/38/50/21/1177385021.db2.gz MVVHDINLPCSNJY-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001691997238 1177398843 /nfs/dbraw/zinc/39/88/43/1177398843.db2.gz BDQQUMOEUDBJEM-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001691997238 1177398849 /nfs/dbraw/zinc/39/88/49/1177398849.db2.gz BDQQUMOEUDBJEM-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001691997238 1177398856 /nfs/dbraw/zinc/39/88/56/1177398856.db2.gz BDQQUMOEUDBJEM-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001691997238 1177398865 /nfs/dbraw/zinc/39/88/65/1177398865.db2.gz BDQQUMOEUDBJEM-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001692037094 1177407885 /nfs/dbraw/zinc/40/78/85/1177407885.db2.gz UCFFQBLEQHUOOG-IRXDYDNUSA-N 2 1 321.465 0.800 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001692046590 1177409325 /nfs/dbraw/zinc/40/93/25/1177409325.db2.gz XDXXDTSSRSSWPR-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001692046590 1177409329 /nfs/dbraw/zinc/40/93/29/1177409329.db2.gz XDXXDTSSRSSWPR-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001692046590 1177409331 /nfs/dbraw/zinc/40/93/31/1177409331.db2.gz XDXXDTSSRSSWPR-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001698609485 1177580599 /nfs/dbraw/zinc/58/05/99/1177580599.db2.gz GHHFXOCMXSRKAC-SOUVJXGZSA-N 2 1 324.469 0.503 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#CCOC ZINC001699033842 1177780047 /nfs/dbraw/zinc/78/00/47/1177780047.db2.gz GMWQYXRTLFOVPR-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccnc1 ZINC001699407263 1178123585 /nfs/dbraw/zinc/12/35/85/1178123585.db2.gz KUVBBCQMEDTGAA-HOCLYGCPSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccnc1 ZINC001699407263 1178123588 /nfs/dbraw/zinc/12/35/88/1178123588.db2.gz KUVBBCQMEDTGAA-HOCLYGCPSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001699738046 1178271200 /nfs/dbraw/zinc/27/12/00/1178271200.db2.gz JRYHHMDHBVDHLS-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001699859717 1178320825 /nfs/dbraw/zinc/32/08/25/1178320825.db2.gz SGHLGCFJLBZVTR-KRWDZBQOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001700005365 1178424620 /nfs/dbraw/zinc/42/46/20/1178424620.db2.gz KQIBXTUJRZDAMQ-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001700005365 1178424623 /nfs/dbraw/zinc/42/46/23/1178424623.db2.gz KQIBXTUJRZDAMQ-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC001700167670 1178513279 /nfs/dbraw/zinc/51/32/79/1178513279.db2.gz DMCCALBOUDRMFY-IRXDYDNUSA-N 2 1 315.417 0.740 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001700181428 1178521367 /nfs/dbraw/zinc/52/13/67/1178521367.db2.gz VNFAVKGIPXUBMP-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001700265696 1178559947 /nfs/dbraw/zinc/55/99/47/1178559947.db2.gz JCJWASNGTDDBKW-ZFWWWQNUSA-N 2 1 306.410 0.831 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001700336435 1178586682 /nfs/dbraw/zinc/58/66/82/1178586682.db2.gz GWASZPIOAPZQMP-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700358580 1178595131 /nfs/dbraw/zinc/59/51/31/1178595131.db2.gz YFRQBXPYHLWXDH-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001700966451 1178848555 /nfs/dbraw/zinc/84/85/55/1178848555.db2.gz WHQVEPNCLOWBBC-HZPDHXFCSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001700966451 1178848567 /nfs/dbraw/zinc/84/85/67/1178848567.db2.gz WHQVEPNCLOWBBC-HZPDHXFCSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001700966451 1178848577 /nfs/dbraw/zinc/84/85/77/1178848577.db2.gz WHQVEPNCLOWBBC-HZPDHXFCSA-N 2 1 309.454 0.493 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001701047397 1178904980 /nfs/dbraw/zinc/90/49/80/1178904980.db2.gz XRQYWFHLQZKKKS-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001701047397 1178904983 /nfs/dbraw/zinc/90/49/83/1178904983.db2.gz XRQYWFHLQZKKKS-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001701047397 1178904987 /nfs/dbraw/zinc/90/49/87/1178904987.db2.gz XRQYWFHLQZKKKS-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CC[N@@H+](C)CC ZINC001704252094 1179949154 /nfs/dbraw/zinc/94/91/54/1179949154.db2.gz NTZZFHWCZNGACU-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CC[N@H+](C)CC ZINC001704252094 1179949156 /nfs/dbraw/zinc/94/91/56/1179949156.db2.gz NTZZFHWCZNGACU-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CC[NH+](C)CC ZINC001704252094 1179949162 /nfs/dbraw/zinc/94/91/62/1179949162.db2.gz NTZZFHWCZNGACU-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CC[NH+](C)CC ZINC001704252094 1179949167 /nfs/dbraw/zinc/94/91/67/1179949167.db2.gz NTZZFHWCZNGACU-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713220436 1180725815 /nfs/dbraw/zinc/72/58/15/1180725815.db2.gz LCCGUMLMISMWMS-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001713220436 1180725817 /nfs/dbraw/zinc/72/58/17/1180725817.db2.gz LCCGUMLMISMWMS-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713220436 1180725823 /nfs/dbraw/zinc/72/58/23/1180725823.db2.gz LCCGUMLMISMWMS-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP CC1CC[NH+](CC(=O)NCCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001713802119 1181079804 /nfs/dbraw/zinc/07/98/04/1181079804.db2.gz MHVYXTOCBOEPOF-UHFFFAOYSA-N 2 1 321.469 0.366 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC#CCOC)C1CC1 ZINC001713868162 1181121373 /nfs/dbraw/zinc/12/13/73/1181121373.db2.gz NRHDTAWARMGCMG-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714064267 1181231053 /nfs/dbraw/zinc/23/10/53/1181231053.db2.gz BILDIXYIHLTRNA-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714093204 1181240965 /nfs/dbraw/zinc/24/09/65/1181240965.db2.gz CMHLFNSGBLXORH-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001714812835 1181559840 /nfs/dbraw/zinc/55/98/40/1181559840.db2.gz FKCIJDURBFKWKR-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CCCCC1 ZINC001715405326 1181802232 /nfs/dbraw/zinc/80/22/32/1181802232.db2.gz QBHVQNWRXOPOQB-KRWDZBQOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@@H](C)COC)CC1 ZINC001715539258 1181847548 /nfs/dbraw/zinc/84/75/48/1181847548.db2.gz HPGCEDJOSYRIHM-HNNXBMFYSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001715714978 1181953900 /nfs/dbraw/zinc/95/39/00/1181953900.db2.gz OSHXXPWUOPJISL-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001715741397 1181971582 /nfs/dbraw/zinc/97/15/82/1181971582.db2.gz BWQVURYUWKXPRC-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001715980986 1182129099 /nfs/dbraw/zinc/12/90/99/1182129099.db2.gz IZYBXXAIXBYBCN-HOCLYGCPSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001715980986 1182129102 /nfs/dbraw/zinc/12/91/02/1182129102.db2.gz IZYBXXAIXBYBCN-HOCLYGCPSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716086374 1182182219 /nfs/dbraw/zinc/18/22/19/1182182219.db2.gz VWPCHEFVWDUZIH-GDBMZVCRSA-N 2 1 307.438 0.341 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001716329883 1182337877 /nfs/dbraw/zinc/33/78/77/1182337877.db2.gz KUFNZWPYMPGTEJ-SSBHQGKESA-N 2 1 320.437 0.130 20 30 DCEDMP C#CCC[N@H+](CCOC)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001716718017 1182501923 /nfs/dbraw/zinc/50/19/23/1182501923.db2.gz XTDPIMQREPSPET-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001716975334 1182607983 /nfs/dbraw/zinc/60/79/83/1182607983.db2.gz LQYJDAIABVSJCY-CABCVRRESA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001717176107 1182711193 /nfs/dbraw/zinc/71/11/93/1182711193.db2.gz SSNZNCJGZBHMRM-AWEZNQCLSA-N 2 1 322.409 0.743 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001717200014 1182727205 /nfs/dbraw/zinc/72/72/05/1182727205.db2.gz XYKHGPJUUDMOMY-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001717839296 1183025600 /nfs/dbraw/zinc/02/56/00/1183025600.db2.gz FWRJNWQZKCCWOH-NVXWUHKLSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001717839296 1183025606 /nfs/dbraw/zinc/02/56/06/1183025606.db2.gz FWRJNWQZKCCWOH-NVXWUHKLSA-N 2 1 305.422 0.455 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#CCOC)[C@@H]1C ZINC001717861087 1183037023 /nfs/dbraw/zinc/03/70/23/1183037023.db2.gz SYSNTIZCZZGFPD-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#CCOC)[C@@H]1C ZINC001717861087 1183037029 /nfs/dbraw/zinc/03/70/29/1183037029.db2.gz SYSNTIZCZZGFPD-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC#CCOC)[C@@H]1C ZINC001717861087 1183037034 /nfs/dbraw/zinc/03/70/34/1183037034.db2.gz SYSNTIZCZZGFPD-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC#CCOC)[C@@H]1C ZINC001717861087 1183037041 /nfs/dbraw/zinc/03/70/41/1183037041.db2.gz SYSNTIZCZZGFPD-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001717918382 1183059080 /nfs/dbraw/zinc/05/90/80/1183059080.db2.gz KQNHBZVYEIMGHP-CVEARBPZSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCOC ZINC001717975682 1183093125 /nfs/dbraw/zinc/09/31/25/1183093125.db2.gz GTAVSASQWRPBQX-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CCOC ZINC001717975682 1183093130 /nfs/dbraw/zinc/09/31/30/1183093130.db2.gz GTAVSASQWRPBQX-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCOC ZINC001717975682 1183093136 /nfs/dbraw/zinc/09/31/36/1183093136.db2.gz GTAVSASQWRPBQX-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001724427237 1184440041 /nfs/dbraw/zinc/44/00/41/1184440041.db2.gz MLBRNFIRZHPMAA-QGZVFWFLSA-N 2 1 307.438 0.439 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001724650500 1184496726 /nfs/dbraw/zinc/49/67/26/1184496726.db2.gz YXJPNYUERHYHEM-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001724650500 1184496730 /nfs/dbraw/zinc/49/67/30/1184496730.db2.gz YXJPNYUERHYHEM-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001724650500 1184496733 /nfs/dbraw/zinc/49/67/33/1184496733.db2.gz YXJPNYUERHYHEM-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001724907033 1184613920 /nfs/dbraw/zinc/61/39/20/1184613920.db2.gz FLPVACGEAPRLSE-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001724908228 1184615082 /nfs/dbraw/zinc/61/50/82/1184615082.db2.gz FRRDWADTCWYGMG-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001724915700 1184617890 /nfs/dbraw/zinc/61/78/90/1184617890.db2.gz XVNTWNDBLIEYAA-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725163881 1184701949 /nfs/dbraw/zinc/70/19/49/1184701949.db2.gz XYMRQJUJNYRCTJ-HIFRSBDPSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725163881 1184701953 /nfs/dbraw/zinc/70/19/53/1184701953.db2.gz XYMRQJUJNYRCTJ-HIFRSBDPSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001725205088 1184723240 /nfs/dbraw/zinc/72/32/40/1184723240.db2.gz GOUGSSONVFKFLK-UHFFFAOYSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCOCC)C[C@H]21 ZINC001725307407 1184763219 /nfs/dbraw/zinc/76/32/19/1184763219.db2.gz HYHYHCFRHBAGHX-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCOCC)C[C@H]21 ZINC001725307407 1184763226 /nfs/dbraw/zinc/76/32/26/1184763226.db2.gz HYHYHCFRHBAGHX-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCOCC)C[C@H]21 ZINC001725307407 1184763232 /nfs/dbraw/zinc/76/32/32/1184763232.db2.gz HYHYHCFRHBAGHX-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCOCC)C[C@H]21 ZINC001725307407 1184763238 /nfs/dbraw/zinc/76/32/38/1184763238.db2.gz HYHYHCFRHBAGHX-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725552880 1184879908 /nfs/dbraw/zinc/87/99/08/1184879908.db2.gz QPNQMZVZRQCAJJ-HZPDHXFCSA-N 2 1 303.406 0.379 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001725577405 1184894995 /nfs/dbraw/zinc/89/49/95/1184894995.db2.gz ZZYWXNMHUPTIKN-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)C[C@@H](C)O)C(C)C)CC1 ZINC001725731273 1184976856 /nfs/dbraw/zinc/97/68/56/1184976856.db2.gz BWZPQVXTAVJRDD-MRXNPFEDSA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001731457892 1185342216 /nfs/dbraw/zinc/34/22/16/1185342216.db2.gz ZGWGDQDCWZXDIS-WKILWMFISA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001731478476 1185352158 /nfs/dbraw/zinc/35/21/58/1185352158.db2.gz ALEVTXNCLHIXCT-APIJFGDWSA-N 2 1 322.453 0.398 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001731760413 1185471723 /nfs/dbraw/zinc/47/17/23/1185471723.db2.gz DFRHHHLYFACXRT-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001731784130 1185486449 /nfs/dbraw/zinc/48/64/49/1185486449.db2.gz VNKFEVIQUIUIBT-CYBMUJFWSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001731784130 1185486451 /nfs/dbraw/zinc/48/64/51/1185486451.db2.gz VNKFEVIQUIUIBT-CYBMUJFWSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001732653426 1185897676 /nfs/dbraw/zinc/89/76/76/1185897676.db2.gz CODVDOZMKDUMOQ-HOCLYGCPSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001732699036 1185925718 /nfs/dbraw/zinc/92/57/18/1185925718.db2.gz FNXSQMUDQSHJJN-CVEARBPZSA-N 2 1 305.422 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001732699036 1185925720 /nfs/dbraw/zinc/92/57/20/1185925720.db2.gz FNXSQMUDQSHJJN-CVEARBPZSA-N 2 1 305.422 0.218 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CCC[C@H](C)O)CC1 ZINC001733067975 1186124337 /nfs/dbraw/zinc/12/43/37/1186124337.db2.gz SWVAXBSEBIIECT-CVEARBPZSA-N 2 1 323.481 0.929 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001733481157 1186287596 /nfs/dbraw/zinc/28/75/96/1186287596.db2.gz ZPOHJYILAXYGGS-RDJZCZTQSA-N 2 1 307.438 0.457 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001733493681 1186302352 /nfs/dbraw/zinc/30/23/52/1186302352.db2.gz VVZRCWHKFYVMQE-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733495766 1186303965 /nfs/dbraw/zinc/30/39/65/1186303965.db2.gz PYWVWKWEXCXBAS-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001733558187 1186332739 /nfs/dbraw/zinc/33/27/39/1186332739.db2.gz YQJCDCSWXMDLKR-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001733900124 1186493182 /nfs/dbraw/zinc/49/31/82/1186493182.db2.gz JVRSUBBUIXCQAA-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001733900124 1186493186 /nfs/dbraw/zinc/49/31/86/1186493186.db2.gz JVRSUBBUIXCQAA-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001733900124 1186493188 /nfs/dbraw/zinc/49/31/88/1186493188.db2.gz JVRSUBBUIXCQAA-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001733900124 1186493191 /nfs/dbraw/zinc/49/31/91/1186493191.db2.gz JVRSUBBUIXCQAA-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001733918635 1186497511 /nfs/dbraw/zinc/49/75/11/1186497511.db2.gz NLGVPWWFVZYLMN-UHFFFAOYSA-N 2 1 309.454 0.685 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734414698 1186647022 /nfs/dbraw/zinc/64/70/22/1186647022.db2.gz FTXZXDSVLJCRIM-GJZGRUSLSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001734441098 1186654314 /nfs/dbraw/zinc/65/43/14/1186654314.db2.gz GDJZVHLCCDCHOP-SJLPKXTDSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001734441098 1186654316 /nfs/dbraw/zinc/65/43/16/1186654316.db2.gz GDJZVHLCCDCHOP-SJLPKXTDSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001734628159 1186710497 /nfs/dbraw/zinc/71/04/97/1186710497.db2.gz GTPQZPLJGPBUSK-UHFFFAOYSA-N 2 1 319.449 0.726 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001753163371 1188518355 /nfs/dbraw/zinc/51/83/55/1188518355.db2.gz XPGFDJXYKXUSPP-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001753163371 1188518358 /nfs/dbraw/zinc/51/83/58/1188518358.db2.gz XPGFDJXYKXUSPP-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001753163371 1188518362 /nfs/dbraw/zinc/51/83/62/1188518362.db2.gz XPGFDJXYKXUSPP-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753163371 1188518367 /nfs/dbraw/zinc/51/83/67/1188518367.db2.gz XPGFDJXYKXUSPP-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001753696521 1188642630 /nfs/dbraw/zinc/64/26/30/1188642630.db2.gz MWIWLUKGZGHYTR-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001753696521 1188642632 /nfs/dbraw/zinc/64/26/32/1188642632.db2.gz MWIWLUKGZGHYTR-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001753933384 1188688670 /nfs/dbraw/zinc/68/86/70/1188688670.db2.gz KIQXXMIOLNCEMP-SJORKVTESA-N 2 1 317.433 0.769 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001754243957 1188797898 /nfs/dbraw/zinc/79/78/98/1188797898.db2.gz ZARLJAWWSUYYGV-CQSZACIVSA-N 2 1 306.410 0.751 20 30 DCEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001754753594 1188921980 /nfs/dbraw/zinc/92/19/80/1188921980.db2.gz AKQDTHGGOHVWKA-ZOBUZTSGSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001754753594 1188921985 /nfs/dbraw/zinc/92/19/85/1188921985.db2.gz AKQDTHGGOHVWKA-ZOBUZTSGSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001754753594 1188921988 /nfs/dbraw/zinc/92/19/88/1188921988.db2.gz AKQDTHGGOHVWKA-ZOBUZTSGSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001755544562 1189143887 /nfs/dbraw/zinc/14/38/87/1189143887.db2.gz WITFWMANULOEBY-HNNXBMFYSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001755544562 1189143888 /nfs/dbraw/zinc/14/38/88/1189143888.db2.gz WITFWMANULOEBY-HNNXBMFYSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001755655989 1189176532 /nfs/dbraw/zinc/17/65/32/1189176532.db2.gz GXVCJXHJVRQEJX-GXTWGEPZSA-N 2 1 304.394 0.952 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001755895112 1189251848 /nfs/dbraw/zinc/25/18/48/1189251848.db2.gz WLTNVZNKHNGZDI-INIZCTEOSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001755895112 1189251852 /nfs/dbraw/zinc/25/18/52/1189251852.db2.gz WLTNVZNKHNGZDI-INIZCTEOSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001755895112 1189251857 /nfs/dbraw/zinc/25/18/57/1189251857.db2.gz WLTNVZNKHNGZDI-INIZCTEOSA-N 2 1 319.449 0.726 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553737 751450887 /nfs/dbraw/zinc/45/08/87/751450887.db2.gz QGRQIWHLPZRKPM-BZUAXINKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553737 751450890 /nfs/dbraw/zinc/45/08/90/751450890.db2.gz QGRQIWHLPZRKPM-BZUAXINKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553737 751450893 /nfs/dbraw/zinc/45/08/93/751450893.db2.gz QGRQIWHLPZRKPM-BZUAXINKSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107012346 751752582 /nfs/dbraw/zinc/75/25/82/751752582.db2.gz OTMVWEMFAHXPSV-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107012346 751752586 /nfs/dbraw/zinc/75/25/86/751752586.db2.gz OTMVWEMFAHXPSV-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192574 746970512 /nfs/dbraw/zinc/97/05/12/746970512.db2.gz HGNZNJFFYIMZML-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192574 746970517 /nfs/dbraw/zinc/97/05/17/746970517.db2.gz HGNZNJFFYIMZML-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192574 746970526 /nfs/dbraw/zinc/97/05/26/746970526.db2.gz HGNZNJFFYIMZML-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098535119 747049503 /nfs/dbraw/zinc/04/95/03/747049503.db2.gz SZCHPZAETMIBJQ-UHFFFAOYSA-N 2 1 307.438 0.554 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083275277 747679424 /nfs/dbraw/zinc/67/94/24/747679424.db2.gz WLAXLVCOJLKXQT-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275277 747679428 /nfs/dbraw/zinc/67/94/28/747679428.db2.gz WLAXLVCOJLKXQT-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275277 747679432 /nfs/dbraw/zinc/67/94/32/747679432.db2.gz WLAXLVCOJLKXQT-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H]2CC)CC1 ZINC001087840338 749078556 /nfs/dbraw/zinc/07/85/56/749078556.db2.gz SAHSKNAAFAJSGC-JKSUJKDBSA-N 2 1 307.438 0.293 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920161 749133553 /nfs/dbraw/zinc/13/35/53/749133553.db2.gz GLZIERDHERIALC-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920161 749133557 /nfs/dbraw/zinc/13/35/57/749133557.db2.gz GLZIERDHERIALC-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920161 749133559 /nfs/dbraw/zinc/13/35/59/749133559.db2.gz GLZIERDHERIALC-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920161 749133564 /nfs/dbraw/zinc/13/35/64/749133564.db2.gz GLZIERDHERIALC-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087969008 749158187 /nfs/dbraw/zinc/15/81/87/749158187.db2.gz WSDOQZCTMQRPAK-IKGGRYGDSA-N 2 1 301.434 0.742 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462289 761977578 /nfs/dbraw/zinc/97/75/78/761977578.db2.gz MRBKNBVGBOMEKD-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083524442 750098437 /nfs/dbraw/zinc/09/84/37/750098437.db2.gz UTWKNAJSMYVDPV-ILXRZTDVSA-N 2 1 318.421 0.888 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083524442 750098443 /nfs/dbraw/zinc/09/84/43/750098443.db2.gz UTWKNAJSMYVDPV-ILXRZTDVSA-N 2 1 318.421 0.888 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945295 750595469 /nfs/dbraw/zinc/59/54/69/750595469.db2.gz SDOANFUUVKFYDF-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001098774722 750786978 /nfs/dbraw/zinc/78/69/78/750786978.db2.gz SPGQGWWDHCIFQL-OAHLLOKOSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001098774722 750786983 /nfs/dbraw/zinc/78/69/83/750786983.db2.gz SPGQGWWDHCIFQL-OAHLLOKOSA-N 2 1 320.441 0.669 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726978 751085979 /nfs/dbraw/zinc/08/59/79/751085979.db2.gz FCLXRYXJIAVHMD-JONQDZQNSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726978 751085985 /nfs/dbraw/zinc/08/59/85/751085985.db2.gz FCLXRYXJIAVHMD-JONQDZQNSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726978 751085992 /nfs/dbraw/zinc/08/59/92/751085992.db2.gz FCLXRYXJIAVHMD-JONQDZQNSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]2O)CC1 ZINC001078227171 753122216 /nfs/dbraw/zinc/12/22/16/753122216.db2.gz MIATVDUVFXRBRN-USXIJHARSA-N 2 1 321.465 0.539 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081844 753470924 /nfs/dbraw/zinc/47/09/24/753470924.db2.gz KOGVNDFXZFBCKB-JKSUJKDBSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081844 753470926 /nfs/dbraw/zinc/47/09/26/753470926.db2.gz KOGVNDFXZFBCKB-JKSUJKDBSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081844 753470930 /nfs/dbraw/zinc/47/09/30/753470930.db2.gz KOGVNDFXZFBCKB-JKSUJKDBSA-N 2 1 306.454 0.343 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084329 753473287 /nfs/dbraw/zinc/47/32/87/753473287.db2.gz PVVNDMFFTBAJID-INIZCTEOSA-N 2 1 315.421 0.043 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084329 753473294 /nfs/dbraw/zinc/47/32/94/753473294.db2.gz PVVNDMFFTBAJID-INIZCTEOSA-N 2 1 315.421 0.043 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326561 753646397 /nfs/dbraw/zinc/64/63/97/753646397.db2.gz QZFYFWRHMNEBPN-QGZVFWFLSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501291 753752747 /nfs/dbraw/zinc/75/27/47/753752747.db2.gz MZKHXHWMCHEGET-HTUOJYHCSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501291 753752751 /nfs/dbraw/zinc/75/27/51/753752751.db2.gz MZKHXHWMCHEGET-HTUOJYHCSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501291 753752752 /nfs/dbraw/zinc/75/27/52/753752752.db2.gz MZKHXHWMCHEGET-HTUOJYHCSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046566406 753796315 /nfs/dbraw/zinc/79/63/15/753796315.db2.gz AGVMEUDOACAHFT-WBVHZDCISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046566406 753796318 /nfs/dbraw/zinc/79/63/18/753796318.db2.gz AGVMEUDOACAHFT-WBVHZDCISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046566406 753796319 /nfs/dbraw/zinc/79/63/19/753796319.db2.gz AGVMEUDOACAHFT-WBVHZDCISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566406 753796322 /nfs/dbraw/zinc/79/63/22/753796322.db2.gz AGVMEUDOACAHFT-WBVHZDCISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466378 762262778 /nfs/dbraw/zinc/26/27/78/762262778.db2.gz ANLIINFEJJHWNQ-UHFFFAOYSA-N 2 1 307.438 0.247 20 30 DCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001047401610 754248836 /nfs/dbraw/zinc/24/88/36/754248836.db2.gz YVDXPZZSGZTPKH-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401610 754248840 /nfs/dbraw/zinc/24/88/40/754248840.db2.gz YVDXPZZSGZTPKH-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401610 754248845 /nfs/dbraw/zinc/24/88/45/754248845.db2.gz YVDXPZZSGZTPKH-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001047439805 754283382 /nfs/dbraw/zinc/28/33/82/754283382.db2.gz SEEFDGSNHBPZLO-ULQDDVLXSA-N 2 1 321.465 0.634 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439805 754283384 /nfs/dbraw/zinc/28/33/84/754283384.db2.gz SEEFDGSNHBPZLO-ULQDDVLXSA-N 2 1 321.465 0.634 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439805 754283387 /nfs/dbraw/zinc/28/33/87/754283387.db2.gz SEEFDGSNHBPZLO-ULQDDVLXSA-N 2 1 321.465 0.634 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001047446532 754289967 /nfs/dbraw/zinc/28/99/67/754289967.db2.gz HNIAJJZNUQYXPL-HOTGVXAUSA-N 2 1 312.373 0.475 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047459116 754302805 /nfs/dbraw/zinc/30/28/05/754302805.db2.gz KQGWSDDICKANHL-GJZGRUSLSA-N 2 1 306.410 0.661 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047459116 754302810 /nfs/dbraw/zinc/30/28/10/754302810.db2.gz KQGWSDDICKANHL-GJZGRUSLSA-N 2 1 306.410 0.661 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001047498484 754333797 /nfs/dbraw/zinc/33/37/97/754333797.db2.gz XMFCLXNONDFKKV-JYJNAYRXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498484 754333811 /nfs/dbraw/zinc/33/38/11/754333811.db2.gz XMFCLXNONDFKKV-JYJNAYRXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498484 754333813 /nfs/dbraw/zinc/33/38/13/754333813.db2.gz XMFCLXNONDFKKV-JYJNAYRXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498484 754333820 /nfs/dbraw/zinc/33/38/20/754333820.db2.gz XMFCLXNONDFKKV-JYJNAYRXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](O)C1 ZINC001090262918 754838691 /nfs/dbraw/zinc/83/86/91/754838691.db2.gz APDVRBUOOZLBLZ-LSDHHAIUSA-N 2 1 314.389 0.994 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012413 755074237 /nfs/dbraw/zinc/07/42/37/755074237.db2.gz BNSYWIJZDYRVCR-GASCZTMLSA-N 2 1 301.390 0.978 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012413 755074242 /nfs/dbraw/zinc/07/42/42/755074242.db2.gz BNSYWIJZDYRVCR-GASCZTMLSA-N 2 1 301.390 0.978 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049059127 755096069 /nfs/dbraw/zinc/09/60/69/755096069.db2.gz AUTVECYKWORHCL-HRCADAONSA-N 2 1 312.417 0.777 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049059127 755096073 /nfs/dbraw/zinc/09/60/73/755096073.db2.gz AUTVECYKWORHCL-HRCADAONSA-N 2 1 312.417 0.777 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCOC)C[C@@H]3C2)CC1 ZINC001049234323 755195940 /nfs/dbraw/zinc/19/59/40/755195940.db2.gz CWFGVRXWABCMTA-CALCHBBNSA-N 2 1 319.449 0.368 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049902696 755439914 /nfs/dbraw/zinc/43/99/14/755439914.db2.gz CBKODZOJECDABR-BZUAXINKSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049902696 755439921 /nfs/dbraw/zinc/43/99/21/755439921.db2.gz CBKODZOJECDABR-BZUAXINKSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902696 755439926 /nfs/dbraw/zinc/43/99/26/755439926.db2.gz CBKODZOJECDABR-BZUAXINKSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902696 755439929 /nfs/dbraw/zinc/43/99/29/755439929.db2.gz CBKODZOJECDABR-BZUAXINKSA-N 2 1 305.422 0.406 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090355716 755666119 /nfs/dbraw/zinc/66/61/19/755666119.db2.gz RHXLGNFZTUYOIO-HOTGVXAUSA-N 2 1 319.449 0.437 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947535 755881869 /nfs/dbraw/zinc/88/18/69/755881869.db2.gz SBQBSSNBKRXDCJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947535 755881874 /nfs/dbraw/zinc/88/18/74/755881874.db2.gz SBQBSSNBKRXDCJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947535 755881879 /nfs/dbraw/zinc/88/18/79/755881879.db2.gz SBQBSSNBKRXDCJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947535 755881886 /nfs/dbraw/zinc/88/18/86/755881886.db2.gz SBQBSSNBKRXDCJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080325062 756165806 /nfs/dbraw/zinc/16/58/06/756165806.db2.gz OVTJMAAJTPUMRP-OAGGEKHMSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080325062 756165808 /nfs/dbraw/zinc/16/58/08/756165808.db2.gz OVTJMAAJTPUMRP-OAGGEKHMSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325062 756165810 /nfs/dbraw/zinc/16/58/10/756165810.db2.gz OVTJMAAJTPUMRP-OAGGEKHMSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325062 756165811 /nfs/dbraw/zinc/16/58/11/756165811.db2.gz OVTJMAAJTPUMRP-OAGGEKHMSA-N 2 1 307.438 0.555 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001053806932 756215987 /nfs/dbraw/zinc/21/59/87/756215987.db2.gz VRRXOYLWRMESFB-RBSFLKMASA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001053806932 756215988 /nfs/dbraw/zinc/21/59/88/756215988.db2.gz VRRXOYLWRMESFB-RBSFLKMASA-N 2 1 307.438 0.862 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](O)C1 ZINC001090383009 757277519 /nfs/dbraw/zinc/27/75/19/757277519.db2.gz WBQUMEBGAYDQMS-JKSUJKDBSA-N 2 1 312.373 0.441 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](O)C1 ZINC001090383009 757277523 /nfs/dbraw/zinc/27/75/23/757277523.db2.gz WBQUMEBGAYDQMS-JKSUJKDBSA-N 2 1 312.373 0.441 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050761616 758036685 /nfs/dbraw/zinc/03/66/85/758036685.db2.gz SSIGIIAOERPWJR-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050761616 758036693 /nfs/dbraw/zinc/03/66/93/758036693.db2.gz SSIGIIAOERPWJR-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC001084851165 758082978 /nfs/dbraw/zinc/08/29/78/758082978.db2.gz PMVJBYFKPSHPQW-USXIJHARSA-N 2 1 319.449 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC#CC)C[C@H]32)CC1 ZINC001084850337 758085741 /nfs/dbraw/zinc/08/57/41/758085741.db2.gz WYDZPDGKKDZEDE-QZTJIDSGSA-N 2 1 313.445 0.888 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911425 758119470 /nfs/dbraw/zinc/11/94/70/758119470.db2.gz AXIBTNKXOSLPIN-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911425 758119481 /nfs/dbraw/zinc/11/94/81/758119481.db2.gz AXIBTNKXOSLPIN-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911425 758119492 /nfs/dbraw/zinc/11/94/92/758119492.db2.gz AXIBTNKXOSLPIN-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911425 758119501 /nfs/dbraw/zinc/11/95/01/758119501.db2.gz AXIBTNKXOSLPIN-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911425 758119509 /nfs/dbraw/zinc/11/95/09/758119509.db2.gz AXIBTNKXOSLPIN-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)CC1 ZINC001098461316 762677369 /nfs/dbraw/zinc/67/73/69/762677369.db2.gz WEADULWZPLCNHW-ZACQAIPSSA-N 2 1 319.449 0.436 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781853 759304122 /nfs/dbraw/zinc/30/41/22/759304122.db2.gz HALMPDDGENPJJF-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085781853 759304129 /nfs/dbraw/zinc/30/41/29/759304129.db2.gz HALMPDDGENPJJF-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085781853 759304139 /nfs/dbraw/zinc/30/41/39/759304139.db2.gz HALMPDDGENPJJF-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001108215855 759406101 /nfs/dbraw/zinc/40/61/01/759406101.db2.gz LLOAGKBIZPBXCG-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108215855 759406104 /nfs/dbraw/zinc/40/61/04/759406104.db2.gz LLOAGKBIZPBXCG-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215855 759406106 /nfs/dbraw/zinc/40/61/06/759406106.db2.gz LLOAGKBIZPBXCG-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215855 759406107 /nfs/dbraw/zinc/40/61/07/759406107.db2.gz LLOAGKBIZPBXCG-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052571524 759498903 /nfs/dbraw/zinc/49/89/03/759498903.db2.gz GWJAPHDUADYYRS-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052571524 759498912 /nfs/dbraw/zinc/49/89/12/759498912.db2.gz GWJAPHDUADYYRS-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052571524 759498919 /nfs/dbraw/zinc/49/89/19/759498919.db2.gz GWJAPHDUADYYRS-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052658368 759542884 /nfs/dbraw/zinc/54/28/84/759542884.db2.gz LKYUIVKKGMANMV-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052658368 759542888 /nfs/dbraw/zinc/54/28/88/759542888.db2.gz LKYUIVKKGMANMV-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658368 759542892 /nfs/dbraw/zinc/54/28/92/759542892.db2.gz LKYUIVKKGMANMV-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658368 759542896 /nfs/dbraw/zinc/54/28/96/759542896.db2.gz LKYUIVKKGMANMV-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@H](C)OC)CC1 ZINC001085987043 759547410 /nfs/dbraw/zinc/54/74/10/759547410.db2.gz RXSSVKNQIOVKQH-DOTOQJQBSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@H](C)OC)CC1 ZINC001085987045 759547531 /nfs/dbraw/zinc/54/75/31/759547531.db2.gz RXSSVKNQIOVKQH-RDJZCZTQSA-N 2 1 321.465 0.899 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878093 767870274 /nfs/dbraw/zinc/87/02/74/767870274.db2.gz RQBBNQOFPSHDHR-LLVKDONJSA-N 2 1 304.232 0.943 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100084172 760188859 /nfs/dbraw/zinc/18/88/59/760188859.db2.gz YCIRPECFDXVVEG-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100084172 760188863 /nfs/dbraw/zinc/18/88/63/760188863.db2.gz YCIRPECFDXVVEG-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100084172 760188869 /nfs/dbraw/zinc/18/88/69/760188869.db2.gz YCIRPECFDXVVEG-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344343 760418579 /nfs/dbraw/zinc/41/85/79/760418579.db2.gz MPXSOOGUKNKQCO-MRXNPFEDSA-N 2 1 307.438 0.865 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344343 760418583 /nfs/dbraw/zinc/41/85/83/760418583.db2.gz MPXSOOGUKNKQCO-MRXNPFEDSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC2=O)C1 ZINC001108577496 760910089 /nfs/dbraw/zinc/91/00/89/760910089.db2.gz LMFYZOLQHVUYEG-ZFWWWQNUSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)C[NH+](CC)CC)CC2=O)C1 ZINC001108581196 760919526 /nfs/dbraw/zinc/91/95/26/760919526.db2.gz KWEKKHLFTJPMFM-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370438 761097309 /nfs/dbraw/zinc/09/73/09/761097309.db2.gz UMSQTRVAAVBQBO-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370438 761097320 /nfs/dbraw/zinc/09/73/20/761097320.db2.gz UMSQTRVAAVBQBO-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370438 761097332 /nfs/dbraw/zinc/09/73/32/761097332.db2.gz UMSQTRVAAVBQBO-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070435884 761236627 /nfs/dbraw/zinc/23/66/27/761236627.db2.gz UWMUFUAXIQJTRO-ZIAGYGMSSA-N 2 1 315.421 0.400 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070435884 761236631 /nfs/dbraw/zinc/23/66/31/761236631.db2.gz UWMUFUAXIQJTRO-ZIAGYGMSSA-N 2 1 315.421 0.400 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070435884 761236635 /nfs/dbraw/zinc/23/66/35/761236635.db2.gz UWMUFUAXIQJTRO-ZIAGYGMSSA-N 2 1 315.421 0.400 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148636069 768027723 /nfs/dbraw/zinc/02/77/23/768027723.db2.gz REKAGQXQRWLLGI-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001110016345 761649823 /nfs/dbraw/zinc/64/98/23/761649823.db2.gz JNJZZTDQTFTUPB-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001110016345 761649825 /nfs/dbraw/zinc/64/98/25/761649825.db2.gz JNJZZTDQTFTUPB-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001110016345 761649828 /nfs/dbraw/zinc/64/98/28/761649828.db2.gz JNJZZTDQTFTUPB-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001110016345 761649831 /nfs/dbraw/zinc/64/98/31/761649831.db2.gz JNJZZTDQTFTUPB-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547532 762896263 /nfs/dbraw/zinc/89/62/63/762896263.db2.gz HEFUJMCHLYPXTR-YVSFHVDLSA-N 2 1 319.449 0.367 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129422966 762935039 /nfs/dbraw/zinc/93/50/39/762935039.db2.gz NYCHBQUYOIAACY-HNNXBMFYSA-N 2 1 322.453 0.401 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129842529 763022437 /nfs/dbraw/zinc/02/24/37/763022437.db2.gz ZKWCTKYUVCIUOB-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127576 763335986 /nfs/dbraw/zinc/33/59/86/763335986.db2.gz WZKNLSBILPIWKU-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130711659 763451295 /nfs/dbraw/zinc/45/12/95/763451295.db2.gz ZSMGEXCOSFBXHJ-CQSZACIVSA-N 2 1 310.442 0.115 20 30 DCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100402201 763552282 /nfs/dbraw/zinc/55/22/82/763552282.db2.gz RGTKYCLSDYEQHR-GPANFISMSA-N 2 1 319.453 0.874 20 30 DCEDMP C#CC[NH2+]C1CC(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001100513600 763625742 /nfs/dbraw/zinc/62/57/42/763625742.db2.gz CEZQGSAQNLWAGJ-UHFFFAOYSA-N 2 1 300.406 0.880 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131128201 763661482 /nfs/dbraw/zinc/66/14/82/763661482.db2.gz WOCRAQVTQGKVIH-HUUCEWRRSA-N 2 1 319.453 0.830 20 30 DCEDMP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001131391446 763795760 /nfs/dbraw/zinc/79/57/60/763795760.db2.gz UXFJWVMPDSMXKA-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131391446 763795766 /nfs/dbraw/zinc/79/57/66/763795766.db2.gz UXFJWVMPDSMXKA-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001131391446 763795770 /nfs/dbraw/zinc/79/57/70/763795770.db2.gz UXFJWVMPDSMXKA-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001131391446 763795776 /nfs/dbraw/zinc/79/57/76/763795776.db2.gz UXFJWVMPDSMXKA-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681681 763935123 /nfs/dbraw/zinc/93/51/23/763935123.db2.gz GIVZIMFDKLBZDZ-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132359783 764416345 /nfs/dbraw/zinc/41/63/45/764416345.db2.gz OKCFHVYLDPUISV-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132359783 764416351 /nfs/dbraw/zinc/41/63/51/764416351.db2.gz OKCFHVYLDPUISV-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320702 764597187 /nfs/dbraw/zinc/59/71/87/764597187.db2.gz PEQIYNPFHBJOMS-QLFBSQMISA-N 2 1 324.469 0.313 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601262 764719968 /nfs/dbraw/zinc/71/99/68/764719968.db2.gz ULMYXVYTTVOHHV-HUUCEWRRSA-N 2 1 324.469 0.313 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601262 764719969 /nfs/dbraw/zinc/71/99/69/764719969.db2.gz ULMYXVYTTVOHHV-HUUCEWRRSA-N 2 1 324.469 0.313 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601262 764719973 /nfs/dbraw/zinc/71/99/73/764719973.db2.gz ULMYXVYTTVOHHV-HUUCEWRRSA-N 2 1 324.469 0.313 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133166333 764855075 /nfs/dbraw/zinc/85/50/75/764855075.db2.gz SROLXZGGXDYLHS-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033683 765243518 /nfs/dbraw/zinc/24/35/18/765243518.db2.gz CKAVTSVXCHMICM-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033683 765243526 /nfs/dbraw/zinc/24/35/26/765243526.db2.gz CKAVTSVXCHMICM-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115122769 765597912 /nfs/dbraw/zinc/59/79/12/765597912.db2.gz BWEDNWBKKPOSEN-FICVDOATSA-N 2 1 305.422 0.331 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001115242977 765658253 /nfs/dbraw/zinc/65/82/53/765658253.db2.gz HCUINSDWRISPGF-FOLVSLTJSA-N 2 1 304.394 0.441 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001115242977 765658257 /nfs/dbraw/zinc/65/82/57/765658257.db2.gz HCUINSDWRISPGF-FOLVSLTJSA-N 2 1 304.394 0.441 20 30 DCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124866658 768316014 /nfs/dbraw/zinc/31/60/14/768316014.db2.gz IINHFYDCAZPXHS-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCOCC[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135906190 766156658 /nfs/dbraw/zinc/15/66/58/766156658.db2.gz UHNCDDAREGRQFL-UHFFFAOYSA-N 2 1 315.377 0.789 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572642 766326951 /nfs/dbraw/zinc/32/69/51/766326951.db2.gz HIZXXIRDAUKOHS-GJZGRUSLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572642 766326953 /nfs/dbraw/zinc/32/69/53/766326953.db2.gz HIZXXIRDAUKOHS-GJZGRUSLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572642 766326955 /nfs/dbraw/zinc/32/69/55/766326955.db2.gz HIZXXIRDAUKOHS-GJZGRUSLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090693752 766484056 /nfs/dbraw/zinc/48/40/56/766484056.db2.gz VDRNSUKAYKYLQZ-DLBZAZTESA-N 2 1 321.465 0.682 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001090706509 766494260 /nfs/dbraw/zinc/49/42/60/766494260.db2.gz JCUYEVDWJIZVBE-SJORKVTESA-N 2 1 319.449 0.293 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001090706509 766494263 /nfs/dbraw/zinc/49/42/63/766494263.db2.gz JCUYEVDWJIZVBE-SJORKVTESA-N 2 1 319.449 0.293 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090732190 766528824 /nfs/dbraw/zinc/52/88/24/766528824.db2.gz AIRXXPJXUAPVFJ-GOEBONIOSA-N 2 1 316.405 0.336 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090732190 766528828 /nfs/dbraw/zinc/52/88/28/766528828.db2.gz AIRXXPJXUAPVFJ-GOEBONIOSA-N 2 1 316.405 0.336 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC001090830593 766649566 /nfs/dbraw/zinc/64/95/66/766649566.db2.gz NNVRQXMQKJRSCD-IAGOWNOFSA-N 2 1 319.449 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)C)C[C@H]2O)CC1 ZINC001090832007 766649739 /nfs/dbraw/zinc/64/97/39/766649739.db2.gz XSDXRKYAUMIYRF-DLBZAZTESA-N 2 1 319.449 0.459 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130351 766912105 /nfs/dbraw/zinc/91/21/05/766912105.db2.gz XJAUGHRXHXACQN-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001171235044 767085818 /nfs/dbraw/zinc/08/58/18/767085818.db2.gz CUWLCKAAISCETG-CVEARBPZSA-N 2 1 319.453 0.711 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147212007 767675981 /nfs/dbraw/zinc/67/59/81/767675981.db2.gz LHVHQIYLXJFBBH-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147212007 767675986 /nfs/dbraw/zinc/67/59/86/767675986.db2.gz LHVHQIYLXJFBBH-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147212007 767675990 /nfs/dbraw/zinc/67/59/90/767675990.db2.gz LHVHQIYLXJFBBH-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147296953 767696372 /nfs/dbraw/zinc/69/63/72/767696372.db2.gz BINNLSHHWPJNSK-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147296953 767696376 /nfs/dbraw/zinc/69/63/76/767696376.db2.gz BINNLSHHWPJNSK-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147296953 767696379 /nfs/dbraw/zinc/69/63/79/767696379.db2.gz BINNLSHHWPJNSK-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147296953 767696382 /nfs/dbraw/zinc/69/63/82/767696382.db2.gz BINNLSHHWPJNSK-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001122247425 767750789 /nfs/dbraw/zinc/75/07/89/767750789.db2.gz FWHSDDGHDYINBL-CABCVRRESA-N 2 1 307.463 0.685 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001125213059 768375038 /nfs/dbraw/zinc/37/50/38/768375038.db2.gz APTNBYMXTQBGQL-OAHLLOKOSA-N 2 1 302.378 0.095 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001125213059 768375046 /nfs/dbraw/zinc/37/50/46/768375046.db2.gz APTNBYMXTQBGQL-OAHLLOKOSA-N 2 1 302.378 0.095 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855169 768886245 /nfs/dbraw/zinc/88/62/45/768886245.db2.gz WELANAGHRVMIFW-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855169 768886259 /nfs/dbraw/zinc/88/62/59/768886259.db2.gz WELANAGHRVMIFW-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149855169 768886274 /nfs/dbraw/zinc/88/62/74/768886274.db2.gz WELANAGHRVMIFW-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151121170 769267115 /nfs/dbraw/zinc/26/71/15/769267115.db2.gz CWGPKZGOWZRQNS-UHFFFAOYSA-N 2 1 319.409 0.098 20 30 DCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174889600 769811201 /nfs/dbraw/zinc/81/12/01/769811201.db2.gz JYFCZJFXQZJNLC-HZPDHXFCSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174889600 769811213 /nfs/dbraw/zinc/81/12/13/769811213.db2.gz JYFCZJFXQZJNLC-HZPDHXFCSA-N 2 1 309.454 0.993 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150626804 770178992 /nfs/dbraw/zinc/17/89/92/770178992.db2.gz ZBPTUMJPVDUISY-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626804 770179002 /nfs/dbraw/zinc/17/90/02/770179002.db2.gz ZBPTUMJPVDUISY-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626804 770179007 /nfs/dbraw/zinc/17/90/07/770179007.db2.gz ZBPTUMJPVDUISY-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCCN1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177124353 770327176 /nfs/dbraw/zinc/32/71/76/770327176.db2.gz JNUIYFAVOMAMRP-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001156146441 770732720 /nfs/dbraw/zinc/73/27/20/770732720.db2.gz YTKSQWBTSZJWKZ-MRXNPFEDSA-N 2 1 316.405 0.485 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001156146441 770732723 /nfs/dbraw/zinc/73/27/23/770732723.db2.gz YTKSQWBTSZJWKZ-MRXNPFEDSA-N 2 1 316.405 0.485 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240805 771627630 /nfs/dbraw/zinc/62/76/30/771627630.db2.gz UXZSPVAONFPSBV-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183408947 771645342 /nfs/dbraw/zinc/64/53/42/771645342.db2.gz DJXSLJMNRCJIDX-JFIYKMOQSA-N 2 1 321.465 0.662 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158411294 771769991 /nfs/dbraw/zinc/76/99/91/771769991.db2.gz BURRLUJDGKGSTE-QLFBSQMISA-N 2 1 324.469 0.503 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159924528 771978109 /nfs/dbraw/zinc/97/81/09/771978109.db2.gz LEWSUEPTLVXZEF-AWEZNQCLSA-N 2 1 304.394 0.506 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cncn1C ZINC001160197774 772006652 /nfs/dbraw/zinc/00/66/52/772006652.db2.gz GAFZNBZDNDFPOL-HNNXBMFYSA-N 2 1 303.410 0.114 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cncn1C ZINC001160197774 772006654 /nfs/dbraw/zinc/00/66/54/772006654.db2.gz GAFZNBZDNDFPOL-HNNXBMFYSA-N 2 1 303.410 0.114 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnc(C)cn1 ZINC001160209363 772009501 /nfs/dbraw/zinc/00/95/01/772009501.db2.gz JMUORUVCUSQAFR-INIZCTEOSA-N 2 1 315.421 0.479 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnc(C)cn1 ZINC001160209363 772009507 /nfs/dbraw/zinc/00/95/07/772009507.db2.gz JMUORUVCUSQAFR-INIZCTEOSA-N 2 1 315.421 0.479 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1ccnn1C ZINC001160209763 772010507 /nfs/dbraw/zinc/01/05/07/772010507.db2.gz VUGDUPLENFHENW-INIZCTEOSA-N 2 1 317.437 0.156 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1ccnn1C ZINC001160209763 772010512 /nfs/dbraw/zinc/01/05/12/772010512.db2.gz VUGDUPLENFHENW-INIZCTEOSA-N 2 1 317.437 0.156 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001161042077 772156768 /nfs/dbraw/zinc/15/67/68/772156768.db2.gz NTUPPWLMPRRVCC-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001190222054 772602655 /nfs/dbraw/zinc/60/26/55/772602655.db2.gz YKTPATZCLKFODS-OAHLLOKOSA-N 2 1 317.437 0.614 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237995 772609262 /nfs/dbraw/zinc/60/92/62/772609262.db2.gz GXWPAETYMXCMFG-OWCLPIDISA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237995 772609264 /nfs/dbraw/zinc/60/92/64/772609264.db2.gz GXWPAETYMXCMFG-OWCLPIDISA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237995 772609265 /nfs/dbraw/zinc/60/92/65/772609265.db2.gz GXWPAETYMXCMFG-OWCLPIDISA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190655187 772658766 /nfs/dbraw/zinc/65/87/66/772658766.db2.gz ONONMHMGAUMYDP-HZPDHXFCSA-N 2 1 307.438 0.509 20 30 DCEDMP C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001190948055 772696456 /nfs/dbraw/zinc/69/64/56/772696456.db2.gz TVFBHRNXFDULSI-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCOC)CC1 ZINC001165545202 772746366 /nfs/dbraw/zinc/74/63/66/772746366.db2.gz FTJNAWLWSWSMTJ-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCOC)CC1 ZINC001165545202 772746369 /nfs/dbraw/zinc/74/63/69/772746369.db2.gz FTJNAWLWSWSMTJ-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191431959 772768082 /nfs/dbraw/zinc/76/80/82/772768082.db2.gz XJJRJDYAUACXFH-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001191431959 772768086 /nfs/dbraw/zinc/76/80/86/772768086.db2.gz XJJRJDYAUACXFH-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191431959 772768087 /nfs/dbraw/zinc/76/80/87/772768087.db2.gz XJJRJDYAUACXFH-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699206 772843688 /nfs/dbraw/zinc/84/36/88/772843688.db2.gz IYFJYCLSKFMEQW-OAHLLOKOSA-N 2 1 318.421 0.500 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955113 773147884 /nfs/dbraw/zinc/14/78/84/773147884.db2.gz JPEVIKRKFAGPOH-BRWVUGGUSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955113 773147886 /nfs/dbraw/zinc/14/78/86/773147886.db2.gz JPEVIKRKFAGPOH-BRWVUGGUSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955113 773147887 /nfs/dbraw/zinc/14/78/87/773147887.db2.gz JPEVIKRKFAGPOH-BRWVUGGUSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001206955113 773147891 /nfs/dbraw/zinc/14/78/91/773147891.db2.gz JPEVIKRKFAGPOH-BRWVUGGUSA-N 2 1 321.465 0.946 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194321026 773174557 /nfs/dbraw/zinc/17/45/57/773174557.db2.gz DIKDZYXBPADJAM-HUUCEWRRSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321026 773174558 /nfs/dbraw/zinc/17/45/58/773174558.db2.gz DIKDZYXBPADJAM-HUUCEWRRSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321026 773174561 /nfs/dbraw/zinc/17/45/61/773174561.db2.gz DIKDZYXBPADJAM-HUUCEWRRSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321026 773174562 /nfs/dbraw/zinc/17/45/62/773174562.db2.gz DIKDZYXBPADJAM-HUUCEWRRSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194284346 773176162 /nfs/dbraw/zinc/17/61/62/773176162.db2.gz GKCVRUVKABPHMR-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194284346 773176166 /nfs/dbraw/zinc/17/61/66/773176166.db2.gz GKCVRUVKABPHMR-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284346 773176170 /nfs/dbraw/zinc/17/61/70/773176170.db2.gz GKCVRUVKABPHMR-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284346 773176173 /nfs/dbraw/zinc/17/61/73/773176173.db2.gz GKCVRUVKABPHMR-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207617031 773248605 /nfs/dbraw/zinc/24/86/05/773248605.db2.gz MNPOOPBJMQYMEN-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207617031 773248611 /nfs/dbraw/zinc/24/86/11/773248611.db2.gz MNPOOPBJMQYMEN-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207617031 773248618 /nfs/dbraw/zinc/24/86/18/773248618.db2.gz MNPOOPBJMQYMEN-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070277 773394330 /nfs/dbraw/zinc/39/43/30/773394330.db2.gz ICYFLERAMPUBNM-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001196164212 773549396 /nfs/dbraw/zinc/54/93/96/773549396.db2.gz YYSPRGGNVAGXOZ-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)CN1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001196506792 773604505 /nfs/dbraw/zinc/60/45/05/773604505.db2.gz IBAFLIOGHXHEDG-UHFFFAOYSA-N 2 1 319.409 0.028 20 30 DCEDMP C#CC[N@H+]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001197195915 773712351 /nfs/dbraw/zinc/71/23/51/773712351.db2.gz MVCMGDZSKPFDPH-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@@H+]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001197195915 773712356 /nfs/dbraw/zinc/71/23/56/773712356.db2.gz MVCMGDZSKPFDPH-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCC)C1 ZINC001200722367 774398671 /nfs/dbraw/zinc/39/86/71/774398671.db2.gz WBCHHKFMRYZGHA-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCC)C1 ZINC001200722367 774398678 /nfs/dbraw/zinc/39/86/78/774398678.db2.gz WBCHHKFMRYZGHA-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091738 774993286 /nfs/dbraw/zinc/99/32/86/774993286.db2.gz WFSGPBSEEZGIBH-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091738 774993289 /nfs/dbraw/zinc/99/32/89/774993289.db2.gz WFSGPBSEEZGIBH-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC#CCOC)C[C@H]21 ZINC001221919334 775228709 /nfs/dbraw/zinc/22/87/09/775228709.db2.gz JMYLVXSVLQEWHX-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC#CCOC)C[C@H]21 ZINC001221919334 775228719 /nfs/dbraw/zinc/22/87/19/775228719.db2.gz JMYLVXSVLQEWHX-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC#CCOC)C[C@H]21 ZINC001221919334 775228726 /nfs/dbraw/zinc/22/87/26/775228726.db2.gz JMYLVXSVLQEWHX-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC#CCOC)C[C@H]21 ZINC001221919334 775228736 /nfs/dbraw/zinc/22/87/36/775228736.db2.gz JMYLVXSVLQEWHX-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784534 775668811 /nfs/dbraw/zinc/66/88/11/775668811.db2.gz XMCDKDUBMDDJDJ-PXZCVYSUSA-N 2 1 317.433 0.757 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001095784534 775668822 /nfs/dbraw/zinc/66/88/22/775668822.db2.gz XMCDKDUBMDDJDJ-PXZCVYSUSA-N 2 1 317.433 0.757 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001095784534 775668830 /nfs/dbraw/zinc/66/88/30/775668830.db2.gz XMCDKDUBMDDJDJ-PXZCVYSUSA-N 2 1 317.433 0.757 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444991 775974638 /nfs/dbraw/zinc/97/46/38/775974638.db2.gz YJKOCAWKMMQDNX-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001114832354 776203063 /nfs/dbraw/zinc/20/30/63/776203063.db2.gz PYVBVDSAHVDORJ-AIANPOQGSA-N 2 1 307.438 0.577 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114837808 776214560 /nfs/dbraw/zinc/21/45/60/776214560.db2.gz LSKAOHBKGYGTCM-QLPKVWCKSA-N 2 1 319.449 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001114837808 776214569 /nfs/dbraw/zinc/21/45/69/776214569.db2.gz LSKAOHBKGYGTCM-QLPKVWCKSA-N 2 1 319.449 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001114837808 776214578 /nfs/dbraw/zinc/21/45/78/776214578.db2.gz LSKAOHBKGYGTCM-QLPKVWCKSA-N 2 1 319.449 0.415 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138243 776257686 /nfs/dbraw/zinc/25/76/86/776257686.db2.gz LLMDODFNXYEHGN-ARFHVFGLSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001041167703 777103809 /nfs/dbraw/zinc/10/38/09/777103809.db2.gz PUPQRBKKOFTLTL-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167703 777103815 /nfs/dbraw/zinc/10/38/15/777103815.db2.gz PUPQRBKKOFTLTL-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167703 777103822 /nfs/dbraw/zinc/10/38/22/777103822.db2.gz PUPQRBKKOFTLTL-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167703 777103834 /nfs/dbraw/zinc/10/38/34/777103834.db2.gz PUPQRBKKOFTLTL-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041838271 777532941 /nfs/dbraw/zinc/53/29/41/777532941.db2.gz VOQBZQWFHAQYQR-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041838271 777532943 /nfs/dbraw/zinc/53/29/43/777532943.db2.gz VOQBZQWFHAQYQR-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041838271 777532946 /nfs/dbraw/zinc/53/29/46/777532946.db2.gz VOQBZQWFHAQYQR-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041838271 777532948 /nfs/dbraw/zinc/53/29/48/777532948.db2.gz VOQBZQWFHAQYQR-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001278024463 945101366 /nfs/dbraw/zinc/10/13/66/945101366.db2.gz FCUNGBDGNOLUBC-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCO)CC1 ZINC001278184710 945170204 /nfs/dbraw/zinc/17/02/04/945170204.db2.gz QVHXSYFTVUWERP-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CCO)CC2)CC1 ZINC001317883992 945214419 /nfs/dbraw/zinc/21/44/19/945214419.db2.gz ITNAJIULQXULTQ-UHFFFAOYSA-N 2 1 321.465 0.494 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266247158 939025483 /nfs/dbraw/zinc/02/54/83/939025483.db2.gz DQOZMVRHWSNUQG-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266247158 939025487 /nfs/dbraw/zinc/02/54/87/939025487.db2.gz DQOZMVRHWSNUQG-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266247158 939025489 /nfs/dbraw/zinc/02/54/89/939025489.db2.gz DQOZMVRHWSNUQG-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266247158 939025492 /nfs/dbraw/zinc/02/54/92/939025492.db2.gz DQOZMVRHWSNUQG-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001266292721 939054113 /nfs/dbraw/zinc/05/41/13/939054113.db2.gz RTNCCBQEYBQVDF-MRXNPFEDSA-N 2 1 308.470 0.330 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCO)CC1 ZINC001267189945 939378858 /nfs/dbraw/zinc/37/88/58/939378858.db2.gz BALYQKYWPYKYGO-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCO)CC1 ZINC001267189945 939378860 /nfs/dbraw/zinc/37/88/60/939378860.db2.gz BALYQKYWPYKYGO-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267372321 939438801 /nfs/dbraw/zinc/43/88/01/939438801.db2.gz LSCYWAVAYKYUEK-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267545874 939497103 /nfs/dbraw/zinc/49/71/03/939497103.db2.gz XHQGRFCATQPYRA-CYBMUJFWSA-N 2 1 304.394 0.811 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267545874 939497104 /nfs/dbraw/zinc/49/71/04/939497104.db2.gz XHQGRFCATQPYRA-CYBMUJFWSA-N 2 1 304.394 0.811 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267569266 939504309 /nfs/dbraw/zinc/50/43/09/939504309.db2.gz RVBLNTGASSZXBQ-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccnc1 ZINC001481241228 939661696 /nfs/dbraw/zinc/66/16/96/939661696.db2.gz POEPCAIRFYSLLJ-INIZCTEOSA-N 2 1 300.406 0.727 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccnc1 ZINC001481241228 939661698 /nfs/dbraw/zinc/66/16/98/939661698.db2.gz POEPCAIRFYSLLJ-INIZCTEOSA-N 2 1 300.406 0.727 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267763563 939668394 /nfs/dbraw/zinc/66/83/94/939668394.db2.gz NSYXNPXNXIGAKL-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267763563 939668396 /nfs/dbraw/zinc/66/83/96/939668396.db2.gz NSYXNPXNXIGAKL-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267763563 939668398 /nfs/dbraw/zinc/66/83/98/939668398.db2.gz NSYXNPXNXIGAKL-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267763563 939668399 /nfs/dbraw/zinc/66/83/99/939668399.db2.gz NSYXNPXNXIGAKL-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C[C@H](C)O)C(C)C)CC1 ZINC001481357404 939759177 /nfs/dbraw/zinc/75/91/77/939759177.db2.gz CGPIAWZXXRQAIA-INIZCTEOSA-N 2 1 323.481 0.929 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001481471144 939885667 /nfs/dbraw/zinc/88/56/67/939885667.db2.gz NSIICSXOWRPGGX-QGZVFWFLSA-N 2 1 320.481 0.428 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001481471144 939885672 /nfs/dbraw/zinc/88/56/72/939885672.db2.gz NSIICSXOWRPGGX-QGZVFWFLSA-N 2 1 320.481 0.428 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001268220023 939993695 /nfs/dbraw/zinc/99/36/95/939993695.db2.gz REPBFAUFKRADGV-HZPDHXFCSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001268329417 940062230 /nfs/dbraw/zinc/06/22/30/940062230.db2.gz UAJYOXOWGCZUNW-HZPDHXFCSA-N 2 1 303.406 0.379 20 30 DCEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001482007342 940205696 /nfs/dbraw/zinc/20/56/96/940205696.db2.gz ANMSTYSXTMICGZ-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001482007342 940205697 /nfs/dbraw/zinc/20/56/97/940205697.db2.gz ANMSTYSXTMICGZ-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001482038825 940223983 /nfs/dbraw/zinc/22/39/83/940223983.db2.gz BZGJFCBDJPOOEU-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001482038825 940223986 /nfs/dbraw/zinc/22/39/86/940223986.db2.gz BZGJFCBDJPOOEU-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482062970 940240954 /nfs/dbraw/zinc/24/09/54/940240954.db2.gz NPMJAJMKXKOZEA-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246047758 945329363 /nfs/dbraw/zinc/32/93/63/945329363.db2.gz SWWITHSSOOACDW-HNLJFRNMSA-N 2 1 308.422 0.644 20 30 DCEDMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC#CCOC ZINC001269407768 940700760 /nfs/dbraw/zinc/70/07/60/940700760.db2.gz HXGMZLSKZRVOGI-HRCADAONSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270112504 940837449 /nfs/dbraw/zinc/83/74/49/940837449.db2.gz GQESAORLJQSCPQ-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270436682 940900986 /nfs/dbraw/zinc/90/09/86/940900986.db2.gz QUFPJDROAWVNAD-KBPBESRZSA-N 2 1 310.442 0.115 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001482438125 941221339 /nfs/dbraw/zinc/22/13/39/941221339.db2.gz BQHUGIKLWOEEEM-CABCVRRESA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001271767096 941447167 /nfs/dbraw/zinc/44/71/67/941447167.db2.gz ZZFPWIYNTNUPQA-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001271767096 941447172 /nfs/dbraw/zinc/44/71/72/941447172.db2.gz ZZFPWIYNTNUPQA-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001271767096 941447174 /nfs/dbraw/zinc/44/71/74/941447174.db2.gz ZZFPWIYNTNUPQA-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001271767096 941447177 /nfs/dbraw/zinc/44/71/77/941447177.db2.gz ZZFPWIYNTNUPQA-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001483349845 942289760 /nfs/dbraw/zinc/28/97/60/942289760.db2.gz KAIBMAHBUUULTL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001483349845 942289764 /nfs/dbraw/zinc/28/97/64/942289764.db2.gz KAIBMAHBUUULTL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483349845 942289768 /nfs/dbraw/zinc/28/97/68/942289768.db2.gz KAIBMAHBUUULTL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001483349845 942289773 /nfs/dbraw/zinc/28/97/73/942289773.db2.gz KAIBMAHBUUULTL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001483988616 943073487 /nfs/dbraw/zinc/07/34/87/943073487.db2.gz HTQFTOWIUKLTSK-HOTGVXAUSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001484222602 943218137 /nfs/dbraw/zinc/21/81/37/943218137.db2.gz FGFQMWYJOSFBAG-MRXNPFEDSA-N 2 1 322.409 0.479 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001484222602 943218143 /nfs/dbraw/zinc/21/81/43/943218143.db2.gz FGFQMWYJOSFBAG-MRXNPFEDSA-N 2 1 322.409 0.479 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001484525644 943442680 /nfs/dbraw/zinc/44/26/80/943442680.db2.gz RWANNRBLHNLMDZ-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001484525644 943442682 /nfs/dbraw/zinc/44/26/82/943442682.db2.gz RWANNRBLHNLMDZ-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC#CCOC)CC1)[NH+](C)C ZINC001484719345 943534123 /nfs/dbraw/zinc/53/41/23/943534123.db2.gz ZLFJSBSYIGLJJP-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001484721405 943539230 /nfs/dbraw/zinc/53/92/30/943539230.db2.gz GWKSUIQULSKQBM-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001484721405 943539234 /nfs/dbraw/zinc/53/92/34/943539234.db2.gz GWKSUIQULSKQBM-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001484721405 943539239 /nfs/dbraw/zinc/53/92/39/943539239.db2.gz GWKSUIQULSKQBM-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001484962943 943634271 /nfs/dbraw/zinc/63/42/71/943634271.db2.gz HEYTWUYJERDAAI-UHFFFAOYSA-N 2 1 309.454 0.685 20 30 DCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001484956381 943636960 /nfs/dbraw/zinc/63/69/60/943636960.db2.gz JVPYEWXVMIRQMC-UHFFFAOYSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001485018260 943657096 /nfs/dbraw/zinc/65/70/96/943657096.db2.gz BINXIOPAJVSVPR-HUUCEWRRSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC(=O)N(C)C ZINC001485727269 944101649 /nfs/dbraw/zinc/10/16/49/944101649.db2.gz UIXDHTVESWHIEH-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC(=O)N(C)C ZINC001485727269 944101652 /nfs/dbraw/zinc/10/16/52/944101652.db2.gz UIXDHTVESWHIEH-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001276791382 944300021 /nfs/dbraw/zinc/30/00/21/944300021.db2.gz UWMXLBIWPRSRIS-HUUCEWRRSA-N 2 1 304.394 0.420 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2cnc[nH]2)C1 ZINC001486114994 944573053 /nfs/dbraw/zinc/57/30/53/944573053.db2.gz PUCRKWHVUXBZIE-GXTWGEPZSA-N 2 1 319.409 0.224 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001486313253 944775426 /nfs/dbraw/zinc/77/54/26/944775426.db2.gz XYBVCLYUSTYQLH-GOEBONIOSA-N 2 1 318.421 0.186 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317082644 944785345 /nfs/dbraw/zinc/78/53/45/944785345.db2.gz QMPBGAKMVAPZFB-RBSFLKMASA-N 2 1 322.453 0.400 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001277398928 944807439 /nfs/dbraw/zinc/80/74/39/944807439.db2.gz VUYGVYZHRZKAML-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001277398928 944807446 /nfs/dbraw/zinc/80/74/46/944807446.db2.gz VUYGVYZHRZKAML-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001277398928 944807453 /nfs/dbraw/zinc/80/74/53/944807453.db2.gz VUYGVYZHRZKAML-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001486359005 944817171 /nfs/dbraw/zinc/81/71/71/944817171.db2.gz NPUOBJCFUGJEKI-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001277608079 944905468 /nfs/dbraw/zinc/90/54/68/944905468.db2.gz DIUHHZQXVCAKNW-OAHLLOKOSA-N 2 1 318.421 0.500 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317396768 944954919 /nfs/dbraw/zinc/95/49/19/944954919.db2.gz QESKXMNZKGXNJL-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317511509 945012471 /nfs/dbraw/zinc/01/24/71/945012471.db2.gz YKUGVUQAWICWIE-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317511509 945012479 /nfs/dbraw/zinc/01/24/79/945012479.db2.gz YKUGVUQAWICWIE-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317511509 945012488 /nfs/dbraw/zinc/01/24/88/945012488.db2.gz YKUGVUQAWICWIE-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317511509 945012500 /nfs/dbraw/zinc/01/25/00/945012500.db2.gz YKUGVUQAWICWIE-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@@H]1CCN[C@H](C#N)C1)CC[NH2+]CC2 ZINC001246611975 945444020 /nfs/dbraw/zinc/44/40/20/945444020.db2.gz VIEWJHBICXYJAV-RRFJBIMHSA-N 2 1 320.437 0.638 20 30 DCEDMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H]1CCN[C@H](C#N)C1)CC[NH2+]CC2 ZINC001246611975 945444025 /nfs/dbraw/zinc/44/40/25/945444025.db2.gz VIEWJHBICXYJAV-RRFJBIMHSA-N 2 1 320.437 0.638 20 30 DCEDMP C=CCN1CC[N@@H+](C)C2(CCN([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246743710 945482067 /nfs/dbraw/zinc/48/20/67/945482067.db2.gz XFESZLXOCUVZJX-OAHLLOKOSA-N 2 1 306.454 0.533 20 30 DCEDMP C=CCN1CC[N@H+](C)C2(CCN([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246743710 945482069 /nfs/dbraw/zinc/48/20/69/945482069.db2.gz XFESZLXOCUVZJX-OAHLLOKOSA-N 2 1 306.454 0.533 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320275114 945797514 /nfs/dbraw/zinc/79/75/14/945797514.db2.gz SZZUMKYPHYMEBP-XJKSGUPXSA-N 2 1 315.433 0.842 20 30 DCEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC#CCOC ZINC001322169943 946600268 /nfs/dbraw/zinc/60/02/68/946600268.db2.gz VAZNUKFIZUDKQW-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC#CCOC ZINC001322169943 946600280 /nfs/dbraw/zinc/60/02/80/946600280.db2.gz VAZNUKFIZUDKQW-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC#CCOC ZINC001322169943 946600284 /nfs/dbraw/zinc/60/02/84/946600284.db2.gz VAZNUKFIZUDKQW-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC#CCOC ZINC001322169943 946600288 /nfs/dbraw/zinc/60/02/88/946600288.db2.gz VAZNUKFIZUDKQW-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325109700 947657663 /nfs/dbraw/zinc/65/76/63/947657663.db2.gz GSDCLDSQPBYXHE-SJLPKXTDSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109700 947657679 /nfs/dbraw/zinc/65/76/79/947657679.db2.gz GSDCLDSQPBYXHE-SJLPKXTDSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109700 947657700 /nfs/dbraw/zinc/65/77/00/947657700.db2.gz GSDCLDSQPBYXHE-SJLPKXTDSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1=O ZINC001262379722 947666491 /nfs/dbraw/zinc/66/64/91/947666491.db2.gz JYOCAZYRMVKKKR-XGUBFFRZSA-N 2 1 303.406 0.409 20 30 DCEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001262569999 947729601 /nfs/dbraw/zinc/72/96/01/947729601.db2.gz KWPHDOCXWJWVMZ-KRWDZBQOSA-N 2 1 315.417 0.482 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325318185 947755710 /nfs/dbraw/zinc/75/57/10/947755710.db2.gz IUCOLKBFOQZUOK-OAHLLOKOSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001326080559 948044966 /nfs/dbraw/zinc/04/49/66/948044966.db2.gz SLGCOBBGVGTPDN-KRWDZBQOSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001326987938 948353594 /nfs/dbraw/zinc/35/35/94/948353594.db2.gz HIKULWDZCQCWFD-IAGOWNOFSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001326989816 948355742 /nfs/dbraw/zinc/35/57/42/948355742.db2.gz KUQFEEIMVLTKGE-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001326989816 948355745 /nfs/dbraw/zinc/35/57/45/948355745.db2.gz KUQFEEIMVLTKGE-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001493129327 948611775 /nfs/dbraw/zinc/61/17/75/948611775.db2.gz AJBRRQKBNRQWII-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP N#Cc1cccc(NC(=O)CC[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC001328400870 948877701 /nfs/dbraw/zinc/87/77/01/948877701.db2.gz MTRVTOBCZZPFKQ-INIZCTEOSA-N 2 1 316.405 0.933 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001264106304 948886437 /nfs/dbraw/zinc/88/64/37/948886437.db2.gz WPRRCLCODCWZOC-KRWDZBQOSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001328844690 949134235 /nfs/dbraw/zinc/13/42/35/949134235.db2.gz SVUASDQVBZZHKO-KRWDZBQOSA-N 2 1 319.449 0.389 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001265544307 949760126 /nfs/dbraw/zinc/76/01/26/949760126.db2.gz HFWBCCNXPNQAPU-YYIAUSFCSA-N 2 1 319.449 0.890 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001265658278 949854681 /nfs/dbraw/zinc/85/46/81/949854681.db2.gz VPZPPEKQGCEQJF-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001265658278 949854703 /nfs/dbraw/zinc/85/47/03/949854703.db2.gz VPZPPEKQGCEQJF-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001265658278 949854727 /nfs/dbraw/zinc/85/47/27/949854727.db2.gz VPZPPEKQGCEQJF-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001265658278 949854750 /nfs/dbraw/zinc/85/47/50/949854750.db2.gz VPZPPEKQGCEQJF-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001329900787 949961124 /nfs/dbraw/zinc/96/11/24/949961124.db2.gz MHLYYHVBVYVKGG-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001265947441 950179185 /nfs/dbraw/zinc/17/91/85/950179185.db2.gz LLXFVOAFKVHOMW-LSDHHAIUSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001330261428 950233426 /nfs/dbraw/zinc/23/34/26/950233426.db2.gz GUGNTYWTVBELGR-AWEZNQCLSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001330261428 950233440 /nfs/dbraw/zinc/23/34/40/950233440.db2.gz GUGNTYWTVBELGR-AWEZNQCLSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001330261428 950233459 /nfs/dbraw/zinc/23/34/59/950233459.db2.gz GUGNTYWTVBELGR-AWEZNQCLSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001330261428 950233478 /nfs/dbraw/zinc/23/34/78/950233478.db2.gz GUGNTYWTVBELGR-AWEZNQCLSA-N 2 1 324.469 0.455 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001266116212 950379394 /nfs/dbraw/zinc/37/93/94/950379394.db2.gz HKPFFXDFSQRLGP-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001266116212 950379414 /nfs/dbraw/zinc/37/94/14/950379414.db2.gz HKPFFXDFSQRLGP-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001266116212 950379437 /nfs/dbraw/zinc/37/94/37/950379437.db2.gz HKPFFXDFSQRLGP-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001331788599 951322716 /nfs/dbraw/zinc/32/27/16/951322716.db2.gz WVPKZDIKFZPBEV-KBPBESRZSA-N 2 1 306.410 0.397 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001332199425 951517242 /nfs/dbraw/zinc/51/72/42/951517242.db2.gz OZQZLWKZWQDSBG-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001332199425 951517247 /nfs/dbraw/zinc/51/72/47/951517247.db2.gz OZQZLWKZWQDSBG-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001281637836 951570034 /nfs/dbraw/zinc/57/00/34/951570034.db2.gz YUOHDOWQLFFQHB-OAHLLOKOSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274619745 951745136 /nfs/dbraw/zinc/74/51/36/951745136.db2.gz CJVNOPFRPYSRFP-WBVHZDCISA-N 2 1 309.454 0.942 20 30 DCEDMP C#CCN1CCC2(CC[NH+](C[C@H](O)C[NH+](CC)CC)CC2)C1=O ZINC001274654863 951771430 /nfs/dbraw/zinc/77/14/30/951771430.db2.gz GRPTZZXIBPEMEM-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NCCC ZINC001274791647 951838437 /nfs/dbraw/zinc/83/84/37/951838437.db2.gz MDEXYIFZKQJIMM-ILXRZTDVSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001274893765 951876673 /nfs/dbraw/zinc/87/66/73/951876673.db2.gz BEJHVTLBLHFTHP-RDBSUJKOSA-N 2 1 310.442 0.113 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOCC)C1 ZINC001333081003 951909896 /nfs/dbraw/zinc/90/98/96/951909896.db2.gz DZJHVINSJYUXBZ-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOCC)C1 ZINC001333081003 951909906 /nfs/dbraw/zinc/90/99/06/951909906.db2.gz DZJHVINSJYUXBZ-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCn1cccn1 ZINC001275573608 952280495 /nfs/dbraw/zinc/28/04/95/952280495.db2.gz FMVIQGZUDAGUKQ-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCn1cccn1 ZINC001275573608 952280500 /nfs/dbraw/zinc/28/05/00/952280500.db2.gz FMVIQGZUDAGUKQ-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCn1cccn1 ZINC001275573608 952280505 /nfs/dbraw/zinc/28/05/05/952280505.db2.gz FMVIQGZUDAGUKQ-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCn1cccn1 ZINC001275573608 952280509 /nfs/dbraw/zinc/28/05/09/952280509.db2.gz FMVIQGZUDAGUKQ-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275828244 952483657 /nfs/dbraw/zinc/48/36/57/952483657.db2.gz VYHXDFFVABGFSL-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001275828244 952483663 /nfs/dbraw/zinc/48/36/63/952483663.db2.gz VYHXDFFVABGFSL-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001275828244 952483666 /nfs/dbraw/zinc/48/36/66/952483666.db2.gz VYHXDFFVABGFSL-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001275849938 952494891 /nfs/dbraw/zinc/49/48/91/952494891.db2.gz JZUCWMOTHQOPII-KBPBESRZSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001275849938 952494892 /nfs/dbraw/zinc/49/48/92/952494892.db2.gz JZUCWMOTHQOPII-KBPBESRZSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001280793461 953040641 /nfs/dbraw/zinc/04/06/41/953040641.db2.gz KUZRCPRFIVLJIH-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001280793461 953040644 /nfs/dbraw/zinc/04/06/44/953040644.db2.gz KUZRCPRFIVLJIH-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001280793461 953040648 /nfs/dbraw/zinc/04/06/48/953040648.db2.gz KUZRCPRFIVLJIH-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001282314789 953544400 /nfs/dbraw/zinc/54/44/00/953544400.db2.gz YPYXVXXFUHLWCT-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+][C@@H](C)C(N)=O)C(C)C ZINC001283450178 954360618 /nfs/dbraw/zinc/36/06/18/954360618.db2.gz WYYKMGPKXXPIIP-ZNMIVQPWSA-N 2 1 322.453 0.078 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+][C@@H](C)C(N)=O)C(C)C ZINC001283450178 954360633 /nfs/dbraw/zinc/36/06/33/954360633.db2.gz WYYKMGPKXXPIIP-ZNMIVQPWSA-N 2 1 322.453 0.078 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001491843654 959296864 /nfs/dbraw/zinc/29/68/64/959296864.db2.gz VBFCMLZHVZTIPH-CQSZACIVSA-N 2 1 309.373 0.952 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001491808179 959320716 /nfs/dbraw/zinc/32/07/16/959320716.db2.gz HWXLDSYOAQUPBP-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316992627 960330178 /nfs/dbraw/zinc/33/01/78/960330178.db2.gz SBJUWVVUMAYVIB-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316992627 960330184 /nfs/dbraw/zinc/33/01/84/960330184.db2.gz SBJUWVVUMAYVIB-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316992627 960330196 /nfs/dbraw/zinc/33/01/96/960330196.db2.gz SBJUWVVUMAYVIB-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316992627 960330205 /nfs/dbraw/zinc/33/02/05/960330205.db2.gz SBJUWVVUMAYVIB-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316992630 960331060 /nfs/dbraw/zinc/33/10/60/960331060.db2.gz SBJUWVVUMAYVIB-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316992630 960331064 /nfs/dbraw/zinc/33/10/64/960331064.db2.gz SBJUWVVUMAYVIB-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316992630 960331072 /nfs/dbraw/zinc/33/10/72/960331072.db2.gz SBJUWVVUMAYVIB-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316992630 960331082 /nfs/dbraw/zinc/33/10/82/960331082.db2.gz SBJUWVVUMAYVIB-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[N@H+](C)CCOCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001316763125 960368903 /nfs/dbraw/zinc/36/89/03/960368903.db2.gz PGAUFFBKAJCKHZ-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369354256 964809519 /nfs/dbraw/zinc/80/95/19/964809519.db2.gz NYIOIDDGJVENNU-WDEREUQCSA-N 2 1 320.231 0.056 20 30 DCEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369354256 964809517 /nfs/dbraw/zinc/80/95/17/964809517.db2.gz NYIOIDDGJVENNU-WDEREUQCSA-N 2 1 320.231 0.056 20 30 DCEDMP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001448913361 1014094219 /nfs/dbraw/zinc/09/42/19/1014094219.db2.gz VWQZGSIQVYRMPE-CVEARBPZSA-N 2 1 318.421 0.465 20 30 DCEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2C#N)C1 ZINC001448948006 1014105245 /nfs/dbraw/zinc/10/52/45/1014105245.db2.gz DGDJNKZYYQASIP-HOTGVXAUSA-N 2 1 316.405 0.077 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2C#N)C1 ZINC001448948006 1014105247 /nfs/dbraw/zinc/10/52/47/1014105247.db2.gz DGDJNKZYYQASIP-HOTGVXAUSA-N 2 1 316.405 0.077 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001394609532 993905358 /nfs/dbraw/zinc/90/53/58/993905358.db2.gz RZRLWOAYNYCAFQ-ZIAGYGMSSA-N 2 1 317.861 0.926 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001394609532 993905350 /nfs/dbraw/zinc/90/53/50/993905350.db2.gz RZRLWOAYNYCAFQ-ZIAGYGMSSA-N 2 1 317.861 0.926 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001502883662 1016116292 /nfs/dbraw/zinc/11/62/92/1016116292.db2.gz RWAVOSHSHFTANW-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502971000 1016140672 /nfs/dbraw/zinc/14/06/72/1016140672.db2.gz TYFDYSHSDARLGV-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502971007 1016142265 /nfs/dbraw/zinc/14/22/65/1016142265.db2.gz TYFDYSHSDARLGV-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001503003911 1016145533 /nfs/dbraw/zinc/14/55/33/1016145533.db2.gz UFBXVABOARCHOU-LSDHHAIUSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001507380564 1016293116 /nfs/dbraw/zinc/29/31/16/1016293116.db2.gz FZRYDGGVMKPRDM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001507380564 1016293123 /nfs/dbraw/zinc/29/31/23/1016293123.db2.gz FZRYDGGVMKPRDM-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001420186575 1001999042 /nfs/dbraw/zinc/99/90/42/1001999042.db2.gz BZZDUOIGJCLCNR-HZPDHXFCSA-N 2 1 316.405 0.077 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001507727944 1016555388 /nfs/dbraw/zinc/55/53/88/1016555388.db2.gz LEKBOJLCBYZUDZ-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001507727944 1016555400 /nfs/dbraw/zinc/55/54/00/1016555400.db2.gz LEKBOJLCBYZUDZ-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001507727944 1016555408 /nfs/dbraw/zinc/55/54/08/1016555408.db2.gz LEKBOJLCBYZUDZ-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001438993339 1006334594 /nfs/dbraw/zinc/33/45/94/1006334594.db2.gz JOPBZQIRHQSGBZ-CHWSQXEVSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001440677869 1007950791 /nfs/dbraw/zinc/95/07/91/1007950791.db2.gz LZYQBNKAOZLGOP-QWHCGFSZSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001440677869 1007950795 /nfs/dbraw/zinc/95/07/95/1007950795.db2.gz LZYQBNKAOZLGOP-QWHCGFSZSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001442975334 1009990909 /nfs/dbraw/zinc/99/09/09/1009990909.db2.gz QBGPUXWKBGLCAB-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001422419566 1010055913 /nfs/dbraw/zinc/05/59/13/1010055913.db2.gz NSFFKHCFENCRKC-MRXNPFEDSA-N 2 1 318.421 0.465 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001423794653 1011560264 /nfs/dbraw/zinc/56/02/64/1011560264.db2.gz JDGHRJHFQKGTCE-AWEZNQCLSA-N 2 1 303.834 0.634 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001423794653 1011560275 /nfs/dbraw/zinc/56/02/75/1011560275.db2.gz JDGHRJHFQKGTCE-AWEZNQCLSA-N 2 1 303.834 0.634 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001423794653 1011560282 /nfs/dbraw/zinc/56/02/82/1011560282.db2.gz JDGHRJHFQKGTCE-AWEZNQCLSA-N 2 1 303.834 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001423794653 1011560289 /nfs/dbraw/zinc/56/02/89/1011560289.db2.gz JDGHRJHFQKGTCE-AWEZNQCLSA-N 2 1 303.834 0.634 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001479511699 1017572834 /nfs/dbraw/zinc/57/28/34/1017572834.db2.gz UKQBVTBQNNTNRZ-JKSUJKDBSA-N 2 1 317.437 0.278 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001506816124 1017579152 /nfs/dbraw/zinc/57/91/52/1017579152.db2.gz ABXLRVXZYPBLAZ-OSYLJGHBSA-N 2 1 321.465 0.969 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001506816124 1017579155 /nfs/dbraw/zinc/57/91/55/1017579155.db2.gz ABXLRVXZYPBLAZ-OSYLJGHBSA-N 2 1 321.465 0.969 20 30 DCEDMP C[C@@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC001479619979 1017605605 /nfs/dbraw/zinc/60/56/05/1017605605.db2.gz DLBFEGNLWQRRLJ-CQSZACIVSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCOCC1 ZINC001497207510 1017970027 /nfs/dbraw/zinc/97/00/27/1017970027.db2.gz JFGCWXZEWUUKFL-WBVHZDCISA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCOCC1 ZINC001497207510 1017970036 /nfs/dbraw/zinc/97/00/36/1017970036.db2.gz JFGCWXZEWUUKFL-WBVHZDCISA-N 2 1 321.465 0.995 20 30 DCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001479923231 1017981162 /nfs/dbraw/zinc/98/11/62/1017981162.db2.gz TVXYANQDSPQKTD-INIZCTEOSA-N 2 1 321.469 0.508 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001479923231 1017981174 /nfs/dbraw/zinc/98/11/74/1017981174.db2.gz TVXYANQDSPQKTD-INIZCTEOSA-N 2 1 321.469 0.508 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001479967862 1018072509 /nfs/dbraw/zinc/07/25/09/1018072509.db2.gz OMGOZCIHAJVDCV-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001479967862 1018072522 /nfs/dbraw/zinc/07/25/22/1018072522.db2.gz OMGOZCIHAJVDCV-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001479967862 1018072537 /nfs/dbraw/zinc/07/25/37/1018072537.db2.gz OMGOZCIHAJVDCV-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001479967862 1018072552 /nfs/dbraw/zinc/07/25/52/1018072552.db2.gz OMGOZCIHAJVDCV-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001494862472 1018113909 /nfs/dbraw/zinc/11/39/09/1018113909.db2.gz GVZKEUKEHKJOJB-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001494862472 1018113916 /nfs/dbraw/zinc/11/39/16/1018113916.db2.gz GVZKEUKEHKJOJB-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001494862472 1018113927 /nfs/dbraw/zinc/11/39/27/1018113927.db2.gz GVZKEUKEHKJOJB-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001494862472 1018113932 /nfs/dbraw/zinc/11/39/32/1018113932.db2.gz GVZKEUKEHKJOJB-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494863976 1018114854 /nfs/dbraw/zinc/11/48/54/1018114854.db2.gz PJAKDEWETUKQJX-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494863976 1018114864 /nfs/dbraw/zinc/11/48/64/1018114864.db2.gz PJAKDEWETUKQJX-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494863976 1018114871 /nfs/dbraw/zinc/11/48/71/1018114871.db2.gz PJAKDEWETUKQJX-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494863976 1018114875 /nfs/dbraw/zinc/11/48/75/1018114875.db2.gz PJAKDEWETUKQJX-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480142693 1018249213 /nfs/dbraw/zinc/24/92/13/1018249213.db2.gz TWNFKOGMYYOPOA-IHRRRGAJSA-N 2 1 322.453 0.398 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCOC)C1 ZINC001480208948 1018318918 /nfs/dbraw/zinc/31/89/18/1018318918.db2.gz KPQJVGTXMXDUPY-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCOC)C1 ZINC001480208948 1018318923 /nfs/dbraw/zinc/31/89/23/1018318923.db2.gz KPQJVGTXMXDUPY-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500402541 1018441184 /nfs/dbraw/zinc/44/11/84/1018441184.db2.gz VGWCOJUMPSTFTR-DOTOQJQBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001480481229 1018581586 /nfs/dbraw/zinc/58/15/86/1018581586.db2.gz WQONGEREQVSLEI-CJNGLKHVSA-N 2 1 318.396 0.913 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001480481229 1018581590 /nfs/dbraw/zinc/58/15/90/1018581590.db2.gz WQONGEREQVSLEI-CJNGLKHVSA-N 2 1 318.396 0.913 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCOCC1 ZINC001498055155 1018616288 /nfs/dbraw/zinc/61/62/88/1018616288.db2.gz KZCSUNTWHLZVTG-HOCLYGCPSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCOCC1 ZINC001498055155 1018616293 /nfs/dbraw/zinc/61/62/93/1018616293.db2.gz KZCSUNTWHLZVTG-HOCLYGCPSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480708876 1018795655 /nfs/dbraw/zinc/79/56/55/1018795655.db2.gz HYKYVTDPCRFUEF-HUUCEWRRSA-N 2 1 324.469 0.646 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001501262032 1018993796 /nfs/dbraw/zinc/99/37/96/1018993796.db2.gz SHZQFTYVMWXMIE-INIZCTEOSA-N 2 1 308.470 0.827 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001496824584 1019671029 /nfs/dbraw/zinc/67/10/29/1019671029.db2.gz ASPYOEVSDFRIRY-GJZGRUSLSA-N 2 1 324.469 0.101 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001496824584 1019671034 /nfs/dbraw/zinc/67/10/34/1019671034.db2.gz ASPYOEVSDFRIRY-GJZGRUSLSA-N 2 1 324.469 0.101 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001502064946 1019677790 /nfs/dbraw/zinc/67/77/90/1019677790.db2.gz VEEDTIVYEOCWBX-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001494066471 1019959799 /nfs/dbraw/zinc/95/97/99/1019959799.db2.gz LRUFTKXIAZJRPQ-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001494214115 1020080632 /nfs/dbraw/zinc/08/06/32/1020080632.db2.gz RTPIVUBBEXXQRX-MRXNPFEDSA-N 2 1 321.465 0.758 20 30 DCEDMP CN(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264150915 529853206 /nfs/dbraw/zinc/85/32/06/529853206.db2.gz ZCNPJUDMQURUQW-UHFFFAOYSA-N 2 1 319.453 0.749 20 30 DCEDMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264114858 530062845 /nfs/dbraw/zinc/06/28/45/530062845.db2.gz SCGIWEGFIPFBKL-ZDUSSCGKSA-N 2 1 303.414 0.008 20 30 DCEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000264071797 238187725 /nfs/dbraw/zinc/18/77/25/238187725.db2.gz DLJJAKVSWKFQHD-UHFFFAOYSA-N 2 1 308.430 0.208 20 30 DCEDMP COc1ccc(CCNC(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000267463535 238224918 /nfs/dbraw/zinc/22/49/18/238224918.db2.gz VTHINBAVDWAQGC-HNNXBMFYSA-N 2 1 319.453 0.388 20 30 DCEDMP C[C@@H](CNC(=O)NC1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000329670785 396848028 /nfs/dbraw/zinc/84/80/28/396848028.db2.gz RVAWJYFJAKYUTL-AWEZNQCLSA-N 2 1 311.474 0.468 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736835 397436472 /nfs/dbraw/zinc/43/64/72/397436472.db2.gz MUVQAWDDVMTROG-IHRRRGAJSA-N 2 1 324.425 0.217 20 30 DCEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000491120721 397499862 /nfs/dbraw/zinc/49/98/62/397499862.db2.gz NARYLHXTTJFTIS-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343734765 415700826 /nfs/dbraw/zinc/70/08/26/415700826.db2.gz DXPSYLFGVIOXNR-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329513396 416172457 /nfs/dbraw/zinc/17/24/57/416172457.db2.gz LLAWEGQUOZTGAZ-CYBMUJFWSA-N 2 1 310.442 0.431 20 30 DCEDMP Cc1nccc(N2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000329572614 416178012 /nfs/dbraw/zinc/17/80/12/416178012.db2.gz NCHLHXADRJASRB-AWEZNQCLSA-N 2 1 318.425 0.915 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000329850732 416192634 /nfs/dbraw/zinc/19/26/34/416192634.db2.gz SNJWKBJGXKDVBW-ZFWWWQNUSA-N 2 1 311.426 0.774 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000329850732 416192638 /nfs/dbraw/zinc/19/26/38/416192638.db2.gz SNJWKBJGXKDVBW-ZFWWWQNUSA-N 2 1 311.426 0.774 20 30 DCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330283770 416200243 /nfs/dbraw/zinc/20/02/43/416200243.db2.gz WNSDVTRUDAOKEN-INIZCTEOSA-N 2 1 323.485 0.610 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000329351516 416165729 /nfs/dbraw/zinc/16/57/29/416165729.db2.gz FKJXYPMGFQXKTJ-MRXNPFEDSA-N 2 1 323.485 0.776 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000491021929 416582796 /nfs/dbraw/zinc/58/27/96/416582796.db2.gz PEILPZHBFUJLOU-QGZVFWFLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCN1CCN(C(=O)CN2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000491021929 416582804 /nfs/dbraw/zinc/58/28/04/416582804.db2.gz PEILPZHBFUJLOU-QGZVFWFLSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[C@]1(C(=O)NCCC[NH+]2CCN(CC)CC2)CCC[NH2+]1 ZINC000662758734 417894384 /nfs/dbraw/zinc/89/43/84/417894384.db2.gz SGOAXYQUQRCTQO-QGZVFWFLSA-N 2 1 308.470 0.829 20 30 DCEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347041566 276100713 /nfs/dbraw/zinc/10/07/13/276100713.db2.gz ZBJITMGIKVSQLX-HNNXBMFYSA-N 2 1 322.453 0.982 20 30 DCEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347041566 276100714 /nfs/dbraw/zinc/10/07/14/276100714.db2.gz ZBJITMGIKVSQLX-HNNXBMFYSA-N 2 1 322.453 0.982 20 30 DCEDMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000329421930 279241375 /nfs/dbraw/zinc/24/13/75/279241375.db2.gz HSUQYBXISFEPFU-KGLIPLIRSA-N 2 1 310.442 0.695 20 30 DCEDMP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000329421930 279241376 /nfs/dbraw/zinc/24/13/76/279241376.db2.gz HSUQYBXISFEPFU-KGLIPLIRSA-N 2 1 310.442 0.695 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569968798 1161360936 /nfs/dbraw/zinc/36/09/36/1161360936.db2.gz OTUBYXUUEASMSA-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C[NH+]=C(NCc1cc(C)no1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179071222 526380901 /nfs/dbraw/zinc/38/09/01/526380901.db2.gz CDGLXYRMLZBBQO-CQSZACIVSA-N 2 1 321.425 0.713 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000187153461 526432276 /nfs/dbraw/zinc/43/22/76/526432276.db2.gz JLFHPOWUQFWVTC-UHFFFAOYSA-N 2 1 310.442 0.658 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001673946978 1175242930 /nfs/dbraw/zinc/24/29/30/1175242930.db2.gz UTHXLWRFCOQVHF-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001027686836 660620426 /nfs/dbraw/zinc/62/04/26/660620426.db2.gz XWBFFYDNAWGFNB-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001027929496 660935359 /nfs/dbraw/zinc/93/53/59/660935359.db2.gz GLFREOKZWWEPEZ-DLBZAZTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001027929496 660935360 /nfs/dbraw/zinc/93/53/60/660935360.db2.gz GLFREOKZWWEPEZ-DLBZAZTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027929496 660935362 /nfs/dbraw/zinc/93/53/62/660935362.db2.gz GLFREOKZWWEPEZ-DLBZAZTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001027929496 660935363 /nfs/dbraw/zinc/93/53/63/660935363.db2.gz GLFREOKZWWEPEZ-DLBZAZTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028094275 661154264 /nfs/dbraw/zinc/15/42/64/661154264.db2.gz WJWKACRCKRMIDD-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028094275 661154265 /nfs/dbraw/zinc/15/42/65/661154265.db2.gz WJWKACRCKRMIDD-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028094275 661154267 /nfs/dbraw/zinc/15/42/67/661154267.db2.gz WJWKACRCKRMIDD-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028193679 661269785 /nfs/dbraw/zinc/26/97/85/661269785.db2.gz YALCFAUSBJMLEU-OAHLLOKOSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(CN(C)C)on2)C[C@H]1C ZINC000947471374 657824267 /nfs/dbraw/zinc/82/42/67/657824267.db2.gz BJCXLTBDWGNSOB-OLZOCXBDSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCO)C1 ZINC001023421854 657849379 /nfs/dbraw/zinc/84/93/79/657849379.db2.gz IXZAUWGRQFBYRE-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCO)C1 ZINC001023421854 657849388 /nfs/dbraw/zinc/84/93/88/657849388.db2.gz IXZAUWGRQFBYRE-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCO)C1 ZINC001023421854 657849395 /nfs/dbraw/zinc/84/93/95/657849395.db2.gz IXZAUWGRQFBYRE-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCO)C1 ZINC001023421854 657849406 /nfs/dbraw/zinc/84/94/06/657849406.db2.gz IXZAUWGRQFBYRE-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001023448943 657875014 /nfs/dbraw/zinc/87/50/14/657875014.db2.gz BVYCIYAFGNAYOD-CABCVRRESA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640755 658091060 /nfs/dbraw/zinc/09/10/60/658091060.db2.gz MJBZOSXQMDNNGT-HNNXBMFYSA-N 2 1 317.437 0.520 20 30 DCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000998895323 665545674 /nfs/dbraw/zinc/54/56/74/665545674.db2.gz YWDFMJPRMDQPSI-BDVYOWHSSA-N 2 1 319.449 0.842 20 30 DCEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972673925 658223428 /nfs/dbraw/zinc/22/34/28/658223428.db2.gz MCOPTAXXQQDRAK-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673187 658223875 /nfs/dbraw/zinc/22/38/75/658223875.db2.gz DYQOLSUVWILBGZ-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673187 658223884 /nfs/dbraw/zinc/22/38/84/658223884.db2.gz DYQOLSUVWILBGZ-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673187 658223891 /nfs/dbraw/zinc/22/38/91/658223891.db2.gz DYQOLSUVWILBGZ-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972673187 658223897 /nfs/dbraw/zinc/22/38/97/658223897.db2.gz DYQOLSUVWILBGZ-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972673187 658223906 /nfs/dbraw/zinc/22/39/06/658223906.db2.gz DYQOLSUVWILBGZ-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970168513 658683770 /nfs/dbraw/zinc/68/37/70/658683770.db2.gz BYNHUJXMJMCWLC-GEMJLEDKSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799059 659565399 /nfs/dbraw/zinc/56/53/99/659565399.db2.gz REMFUFQRYVSGAC-AALSBFMBSA-N 2 1 305.422 0.472 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025799059 659565403 /nfs/dbraw/zinc/56/54/03/659565403.db2.gz REMFUFQRYVSGAC-AALSBFMBSA-N 2 1 305.422 0.472 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025814063 659576498 /nfs/dbraw/zinc/57/64/98/659576498.db2.gz KVLDOSAXCKWPLY-ZOFXXKQRSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025814063 659576500 /nfs/dbraw/zinc/57/65/00/659576500.db2.gz KVLDOSAXCKWPLY-ZOFXXKQRSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025814063 659576501 /nfs/dbraw/zinc/57/65/01/659576501.db2.gz KVLDOSAXCKWPLY-ZOFXXKQRSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025814063 659576506 /nfs/dbraw/zinc/57/65/06/659576506.db2.gz KVLDOSAXCKWPLY-ZOFXXKQRSA-N 2 1 317.433 0.167 20 30 DCEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245646 661314361 /nfs/dbraw/zinc/31/43/61/661314361.db2.gz MGMWROFINLZEGZ-RYQLBKOJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245646 661314362 /nfs/dbraw/zinc/31/43/62/661314362.db2.gz MGMWROFINLZEGZ-RYQLBKOJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245646 661314367 /nfs/dbraw/zinc/31/43/67/661314367.db2.gz MGMWROFINLZEGZ-RYQLBKOJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245646 661314370 /nfs/dbraw/zinc/31/43/70/661314370.db2.gz MGMWROFINLZEGZ-RYQLBKOJSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547254 661604818 /nfs/dbraw/zinc/60/48/18/661604818.db2.gz PIVADRVBBBDWDH-HNNXBMFYSA-N 2 1 317.437 0.520 20 30 DCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028767413 661815297 /nfs/dbraw/zinc/81/52/97/661815297.db2.gz NERFRATVBSPPCY-CABCVRRESA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028767413 661815300 /nfs/dbraw/zinc/81/53/00/661815300.db2.gz NERFRATVBSPPCY-CABCVRRESA-N 2 1 300.406 0.825 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859862 661854231 /nfs/dbraw/zinc/85/42/31/661854231.db2.gz JJHNSFXNUHDBJA-HNNXBMFYSA-N 2 1 317.437 0.520 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014476203 662989333 /nfs/dbraw/zinc/98/93/33/662989333.db2.gz ZGPYBGSYWNISPZ-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H](C)COC)CC1 ZINC001032800576 665968113 /nfs/dbraw/zinc/96/81/13/665968113.db2.gz OFRKUFUUPNRIGC-PVAVHDDUSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000908436345 663755353 /nfs/dbraw/zinc/75/53/53/663755353.db2.gz QIBZHVAJGCLGMS-UHFFFAOYSA-N 2 1 322.497 0.864 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000908436345 663755354 /nfs/dbraw/zinc/75/53/54/663755354.db2.gz QIBZHVAJGCLGMS-UHFFFAOYSA-N 2 1 322.497 0.864 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000908436345 663755355 /nfs/dbraw/zinc/75/53/55/663755355.db2.gz QIBZHVAJGCLGMS-UHFFFAOYSA-N 2 1 322.497 0.864 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992120274 664665031 /nfs/dbraw/zinc/66/50/31/664665031.db2.gz AMUPQZWXTDSXFA-XYJFISCASA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992120274 664665032 /nfs/dbraw/zinc/66/50/32/664665032.db2.gz AMUPQZWXTDSXFA-XYJFISCASA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992120274 664665033 /nfs/dbraw/zinc/66/50/33/664665033.db2.gz AMUPQZWXTDSXFA-XYJFISCASA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992120274 664665034 /nfs/dbraw/zinc/66/50/34/664665034.db2.gz AMUPQZWXTDSXFA-XYJFISCASA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992493412 664727430 /nfs/dbraw/zinc/72/74/30/664727430.db2.gz HYSVKUGIRRJNHB-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992493412 664727431 /nfs/dbraw/zinc/72/74/31/664727431.db2.gz HYSVKUGIRRJNHB-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992493412 664727432 /nfs/dbraw/zinc/72/74/32/664727432.db2.gz HYSVKUGIRRJNHB-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992493412 664727433 /nfs/dbraw/zinc/72/74/33/664727433.db2.gz HYSVKUGIRRJNHB-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000732681746 664952228 /nfs/dbraw/zinc/95/22/28/664952228.db2.gz KLFSCBYUEKNFIB-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000732681746 664952231 /nfs/dbraw/zinc/95/22/31/664952231.db2.gz KLFSCBYUEKNFIB-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727830 665346838 /nfs/dbraw/zinc/34/68/38/665346838.db2.gz VSPNOIJOJSKXMD-QGZVFWFLSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CCN1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031730152 665360047 /nfs/dbraw/zinc/36/00/47/665360047.db2.gz FQCKHLVEOWVWPQ-QGZVFWFLSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031730152 665360049 /nfs/dbraw/zinc/36/00/49/665360049.db2.gz FQCKHLVEOWVWPQ-QGZVFWFLSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031730152 665360051 /nfs/dbraw/zinc/36/00/51/665360051.db2.gz FQCKHLVEOWVWPQ-QGZVFWFLSA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567532 666020371 /nfs/dbraw/zinc/02/03/71/666020371.db2.gz VXYXFRBVDUGMDT-DOTOQJQBSA-N 2 1 320.481 0.589 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567532 666020372 /nfs/dbraw/zinc/02/03/72/666020372.db2.gz VXYXFRBVDUGMDT-DOTOQJQBSA-N 2 1 320.481 0.589 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)COC)CC1 ZINC001001492532 666060966 /nfs/dbraw/zinc/06/09/66/666060966.db2.gz SBGXBSSFLHUVDA-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)COC)CC1 ZINC001001492532 666060968 /nfs/dbraw/zinc/06/09/68/666060968.db2.gz SBGXBSSFLHUVDA-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691170634 1157604432 /nfs/dbraw/zinc/60/44/32/1157604432.db2.gz DSBXZLXJWPXIDD-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002875636 666238412 /nfs/dbraw/zinc/23/84/12/666238412.db2.gz ONBKXDCSGZBVCG-HZPDHXFCSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922629693 666498725 /nfs/dbraw/zinc/49/87/25/666498725.db2.gz YLNHDRXZKLMNRT-LSDHHAIUSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922629693 666498726 /nfs/dbraw/zinc/49/87/26/666498726.db2.gz YLNHDRXZKLMNRT-LSDHHAIUSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922629693 666498727 /nfs/dbraw/zinc/49/87/27/666498727.db2.gz YLNHDRXZKLMNRT-LSDHHAIUSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034275191 666972453 /nfs/dbraw/zinc/97/24/53/666972453.db2.gz XMKHDCVUMXAJID-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034275191 666972455 /nfs/dbraw/zinc/97/24/55/666972455.db2.gz XMKHDCVUMXAJID-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034275191 666972458 /nfs/dbraw/zinc/97/24/58/666972458.db2.gz XMKHDCVUMXAJID-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034275191 666972460 /nfs/dbraw/zinc/97/24/60/666972460.db2.gz XMKHDCVUMXAJID-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318691 666988282 /nfs/dbraw/zinc/98/82/82/666988282.db2.gz DVUPJXKXMJTKHE-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034318691 666988286 /nfs/dbraw/zinc/98/82/86/666988286.db2.gz DVUPJXKXMJTKHE-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034318691 666988289 /nfs/dbraw/zinc/98/82/89/666988289.db2.gz DVUPJXKXMJTKHE-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)CC1 ZINC001034539143 667064861 /nfs/dbraw/zinc/06/48/61/667064861.db2.gz VYVLNKKGJOOJMW-MRXNPFEDSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCN(C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000921555551 667226995 /nfs/dbraw/zinc/22/69/95/667226995.db2.gz DKCWQOVXVMHRFH-ZBFHGGJFSA-N 2 1 322.453 0.445 20 30 DCEDMP C#CCN(C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000921555551 667226996 /nfs/dbraw/zinc/22/69/96/667226996.db2.gz DKCWQOVXVMHRFH-ZBFHGGJFSA-N 2 1 322.453 0.445 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035371406 667309442 /nfs/dbraw/zinc/30/94/42/667309442.db2.gz SRTHTFYHZNCNGC-HOTGVXAUSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035371406 667309445 /nfs/dbraw/zinc/30/94/45/667309445.db2.gz SRTHTFYHZNCNGC-HOTGVXAUSA-N 2 1 307.438 0.721 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000884127712 667479320 /nfs/dbraw/zinc/47/93/20/667479320.db2.gz LAGNIFLKGLZATN-ARFHVFGLSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000884127712 667479323 /nfs/dbraw/zinc/47/93/23/667479323.db2.gz LAGNIFLKGLZATN-ARFHVFGLSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000884127712 667479324 /nfs/dbraw/zinc/47/93/24/667479324.db2.gz LAGNIFLKGLZATN-ARFHVFGLSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000884127712 667479326 /nfs/dbraw/zinc/47/93/26/667479326.db2.gz LAGNIFLKGLZATN-ARFHVFGLSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884197728 667495830 /nfs/dbraw/zinc/49/58/30/667495830.db2.gz CRELHUYXIZJVMJ-CABCVRRESA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884197728 667495832 /nfs/dbraw/zinc/49/58/32/667495832.db2.gz CRELHUYXIZJVMJ-CABCVRRESA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884197728 667495834 /nfs/dbraw/zinc/49/58/34/667495834.db2.gz CRELHUYXIZJVMJ-CABCVRRESA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000884197728 667495836 /nfs/dbraw/zinc/49/58/36/667495836.db2.gz CRELHUYXIZJVMJ-CABCVRRESA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000884197728 667495838 /nfs/dbraw/zinc/49/58/38/667495838.db2.gz CRELHUYXIZJVMJ-CABCVRRESA-N 2 1 304.438 0.868 20 30 DCEDMP N#Cc1cc(C[NH+]2CC[C@H](O)C2)cc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000878053959 668675789 /nfs/dbraw/zinc/67/57/89/668675789.db2.gz VWYNZTJZJIUIOA-IRXDYDNUSA-N 2 1 301.390 0.691 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948268943 670091377 /nfs/dbraw/zinc/09/13/77/670091377.db2.gz HVGKDGUCXFISSA-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948268943 670091378 /nfs/dbraw/zinc/09/13/78/670091378.db2.gz HVGKDGUCXFISSA-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948268943 670091379 /nfs/dbraw/zinc/09/13/79/670091379.db2.gz HVGKDGUCXFISSA-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948268943 670091380 /nfs/dbraw/zinc/09/13/80/670091380.db2.gz HVGKDGUCXFISSA-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP N#Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)nc1 ZINC000849020871 670750214 /nfs/dbraw/zinc/75/02/14/670750214.db2.gz RCCDEVJKTFAMDL-UHFFFAOYSA-N 2 1 302.382 0.290 20 30 DCEDMP C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849025507 670751213 /nfs/dbraw/zinc/75/12/13/670751213.db2.gz KADUSHQPYIRNFB-CABCVRRESA-N 2 1 310.442 0.804 20 30 DCEDMP C[C@@H]1C[N@H+](CCCCNC(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852861409 671177341 /nfs/dbraw/zinc/17/73/41/671177341.db2.gz UTJKKGHRHNFPBK-IYBDPMFKSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000820196687 671177592 /nfs/dbraw/zinc/17/75/92/671177592.db2.gz HHIQLIKNUIDJIT-HZPDHXFCSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1 ZINC001020250738 693745711 /nfs/dbraw/zinc/74/57/11/693745711.db2.gz OAPRFSJWNROXOR-ULQDDVLXSA-N 2 1 312.417 0.916 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1 ZINC001020250738 693745714 /nfs/dbraw/zinc/74/57/14/693745714.db2.gz OAPRFSJWNROXOR-ULQDDVLXSA-N 2 1 312.417 0.916 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001020250892 693745726 /nfs/dbraw/zinc/74/57/26/693745726.db2.gz VWCVUBVTTOQIPA-VQHPVUNQSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001020250892 693745728 /nfs/dbraw/zinc/74/57/28/693745728.db2.gz VWCVUBVTTOQIPA-VQHPVUNQSA-N 2 1 319.449 0.747 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[NH+]1CCCCCC1 ZINC000303877653 685207472 /nfs/dbraw/zinc/20/74/72/685207472.db2.gz FMLIMHJLMOPKLI-UHFFFAOYSA-N 3 1 311.474 0.489 20 30 DCEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303883922 685208030 /nfs/dbraw/zinc/20/80/30/685208030.db2.gz IWSWNIVVFXAHRE-OAHLLOKOSA-N 2 1 311.474 0.345 20 30 DCEDMP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303883922 685208033 /nfs/dbraw/zinc/20/80/33/685208033.db2.gz IWSWNIVVFXAHRE-OAHLLOKOSA-N 3 1 311.474 0.345 20 30 DCEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303883922 685208038 /nfs/dbraw/zinc/20/80/38/685208038.db2.gz IWSWNIVVFXAHRE-OAHLLOKOSA-N 3 1 311.474 0.345 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303981581 685209363 /nfs/dbraw/zinc/20/93/63/685209363.db2.gz PHEXJGWILQSQKX-GJZGRUSLSA-N 3 1 310.490 0.011 20 30 DCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N1CCN(C)CC1 ZINC000303981581 685209366 /nfs/dbraw/zinc/20/93/66/685209366.db2.gz PHEXJGWILQSQKX-GJZGRUSLSA-N 2 1 310.490 0.011 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N1CCN(C)CC1 ZINC000303981581 685209371 /nfs/dbraw/zinc/20/93/71/685209371.db2.gz PHEXJGWILQSQKX-GJZGRUSLSA-N 2 1 310.490 0.011 20 30 DCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])NCC1CCC1 ZINC000303976701 685209464 /nfs/dbraw/zinc/20/94/64/685209464.db2.gz KJZSOAYTLBTHTQ-AWEZNQCLSA-N 2 1 309.458 0.634 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038261112 694028831 /nfs/dbraw/zinc/02/88/31/694028831.db2.gz XUEYELZJYOELMB-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038261112 694028834 /nfs/dbraw/zinc/02/88/34/694028834.db2.gz XUEYELZJYOELMB-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038261114 694029024 /nfs/dbraw/zinc/02/90/24/694029024.db2.gz XUEYELZJYOELMB-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038261114 694029025 /nfs/dbraw/zinc/02/90/25/694029025.db2.gz XUEYELZJYOELMB-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174897 687405722 /nfs/dbraw/zinc/40/57/22/687405722.db2.gz IXRHPMWFORYEOX-HOTGVXAUSA-N 2 1 319.449 0.295 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215588 687447686 /nfs/dbraw/zinc/44/76/86/687447686.db2.gz XFOMJZVHJUKHFF-CVEARBPZSA-N 2 1 321.465 0.990 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC000958344731 687564214 /nfs/dbraw/zinc/56/42/14/687564214.db2.gz JLFLGRMVMXCMMX-ZIAGYGMSSA-N 2 1 307.394 0.550 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961609423 688672645 /nfs/dbraw/zinc/67/26/45/688672645.db2.gz RUUXSMQHHLXBHI-QMCVQRASSA-N 2 1 312.417 0.824 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961609423 688672649 /nfs/dbraw/zinc/67/26/49/688672649.db2.gz RUUXSMQHHLXBHI-QMCVQRASSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](C)OC)CC1 ZINC001039042220 694284288 /nfs/dbraw/zinc/28/42/88/694284288.db2.gz NRBUNUFIMRDLMT-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001039042880 694284350 /nfs/dbraw/zinc/28/43/50/694284350.db2.gz YJZKOBOYIAZNND-NVXWUHKLSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039309602 694336741 /nfs/dbraw/zinc/33/67/41/694336741.db2.gz RYTFNHUFSPEOLM-HMQMGEFJSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039309602 694336746 /nfs/dbraw/zinc/33/67/46/694336746.db2.gz RYTFNHUFSPEOLM-HMQMGEFJSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016789256 692771284 /nfs/dbraw/zinc/77/12/84/692771284.db2.gz BPEKGEMSGSYNBY-HZPDHXFCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016789256 692771287 /nfs/dbraw/zinc/77/12/87/692771287.db2.gz BPEKGEMSGSYNBY-HZPDHXFCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040451681 694552109 /nfs/dbraw/zinc/55/21/09/694552109.db2.gz GEWULHUHFKMQGC-SFHVURJKSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040451681 694552113 /nfs/dbraw/zinc/55/21/13/694552113.db2.gz GEWULHUHFKMQGC-SFHVURJKSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001073741085 694775456 /nfs/dbraw/zinc/77/54/56/694775456.db2.gz OKOYRQMDSMGKDI-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001073741085 694775457 /nfs/dbraw/zinc/77/54/57/694775457.db2.gz OKOYRQMDSMGKDI-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001073741085 694775458 /nfs/dbraw/zinc/77/54/58/694775458.db2.gz OKOYRQMDSMGKDI-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001073741085 694775459 /nfs/dbraw/zinc/77/54/59/694775459.db2.gz OKOYRQMDSMGKDI-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001570416427 1162509146 /nfs/dbraw/zinc/50/91/46/1162509146.db2.gz MYXHRKJMXOFLGL-UHFFFAOYSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001571353596 1162715831 /nfs/dbraw/zinc/71/58/31/1162715831.db2.gz CPEPTCIMXMPAFC-JKSUJKDBSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001571467008 1162771575 /nfs/dbraw/zinc/77/15/75/1162771575.db2.gz DSGXTOAZAZUDAG-DZGCQCFKSA-N 2 1 304.394 0.420 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001571603197 1162853353 /nfs/dbraw/zinc/85/33/53/1162853353.db2.gz WCHHTWOEAQBIGQ-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001571603197 1162853358 /nfs/dbraw/zinc/85/33/58/1162853358.db2.gz WCHHTWOEAQBIGQ-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001571603197 1162853364 /nfs/dbraw/zinc/85/33/64/1162853364.db2.gz WCHHTWOEAQBIGQ-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001671359258 1157492293 /nfs/dbraw/zinc/49/22/93/1157492293.db2.gz ACVVSGVIQPPUOI-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001691352525 1157650704 /nfs/dbraw/zinc/65/07/04/1157650704.db2.gz ZNVGYCPJCWEXGS-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cnn(C)c1 ZINC001691707324 1158913182 /nfs/dbraw/zinc/91/31/82/1158913182.db2.gz NLVYYQZUFPUKHA-JKSUJKDBSA-N 2 1 319.453 0.832 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001565890280 1159920528 /nfs/dbraw/zinc/92/05/28/1159920528.db2.gz GCHHOGGHLAXLDS-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001566881593 1160176302 /nfs/dbraw/zinc/17/63/02/1160176302.db2.gz WWZAADOXQZBLTP-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001566881593 1160176306 /nfs/dbraw/zinc/17/63/06/1160176306.db2.gz WWZAADOXQZBLTP-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001566881593 1160176310 /nfs/dbraw/zinc/17/63/10/1160176310.db2.gz WWZAADOXQZBLTP-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001566881592 1160177069 /nfs/dbraw/zinc/17/70/69/1160177069.db2.gz WWZAADOXQZBLTP-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001566881592 1160177074 /nfs/dbraw/zinc/17/70/74/1160177074.db2.gz WWZAADOXQZBLTP-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001566881592 1160177080 /nfs/dbraw/zinc/17/70/80/1160177080.db2.gz WWZAADOXQZBLTP-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001567308002 1160304811 /nfs/dbraw/zinc/30/48/11/1160304811.db2.gz PRCWDEIHSNFYFZ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001567308002 1160304819 /nfs/dbraw/zinc/30/48/19/1160304819.db2.gz PRCWDEIHSNFYFZ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567308002 1160304826 /nfs/dbraw/zinc/30/48/26/1160304826.db2.gz PRCWDEIHSNFYFZ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001567308002 1160304834 /nfs/dbraw/zinc/30/48/34/1160304834.db2.gz PRCWDEIHSNFYFZ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001567477463 1160385586 /nfs/dbraw/zinc/38/55/86/1160385586.db2.gz KLYFSELAFRVQQE-CQSZACIVSA-N 2 1 322.434 0.498 20 30 DCEDMP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001567477463 1160385595 /nfs/dbraw/zinc/38/55/95/1160385595.db2.gz KLYFSELAFRVQQE-CQSZACIVSA-N 2 1 322.434 0.498 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567856495 1160504007 /nfs/dbraw/zinc/50/40/07/1160504007.db2.gz UEVCKHJXHQUBDP-FXUDXRNXSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001567856495 1160504013 /nfs/dbraw/zinc/50/40/13/1160504013.db2.gz UEVCKHJXHQUBDP-FXUDXRNXSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567856495 1160504017 /nfs/dbraw/zinc/50/40/17/1160504017.db2.gz UEVCKHJXHQUBDP-FXUDXRNXSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567856495 1160504024 /nfs/dbraw/zinc/50/40/24/1160504024.db2.gz UEVCKHJXHQUBDP-FXUDXRNXSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001567926937 1160539146 /nfs/dbraw/zinc/53/91/46/1160539146.db2.gz BTGJVBAWAXMNCE-OAHLLOKOSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001567926937 1160539154 /nfs/dbraw/zinc/53/91/54/1160539154.db2.gz BTGJVBAWAXMNCE-OAHLLOKOSA-N 2 1 306.410 0.927 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001568538158 1160672997 /nfs/dbraw/zinc/67/29/97/1160672997.db2.gz WUWWBGNUVAKLKZ-IAGOWNOFSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001569081346 1160937359 /nfs/dbraw/zinc/93/73/59/1160937359.db2.gz IUHGHSAYSLHQNO-KBPBESRZSA-N 2 1 324.469 0.197 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001569316939 1161011446 /nfs/dbraw/zinc/01/14/46/1161011446.db2.gz OWUKTNNCSRKETM-GOEBONIOSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC#CC)CC1 ZINC001569596402 1161162418 /nfs/dbraw/zinc/16/24/18/1161162418.db2.gz ZHIZUBYFKHQMHI-INIZCTEOSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569899872 1161304560 /nfs/dbraw/zinc/30/45/60/1161304560.db2.gz DBAVSTLRAOGJMV-SFHVURJKSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001570301731 1161554766 /nfs/dbraw/zinc/55/47/66/1161554766.db2.gz CQDAXEBYNXGMOF-UHFFFAOYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001574673387 1163739001 /nfs/dbraw/zinc/73/90/01/1163739001.db2.gz KSQQNFMGPYRNGI-ZIAGYGMSSA-N 2 1 316.409 0.030 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001574673387 1163739005 /nfs/dbraw/zinc/73/90/05/1163739005.db2.gz KSQQNFMGPYRNGI-ZIAGYGMSSA-N 2 1 316.409 0.030 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3n2CC[NH2+][C@@H]3C)C1 ZINC001574673144 1163739183 /nfs/dbraw/zinc/73/91/83/1163739183.db2.gz HUQZGXSTUMBXJE-ZIAGYGMSSA-N 2 1 300.406 0.980 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3n2CC[NH2+][C@@H]3C)C1 ZINC001574673144 1163739186 /nfs/dbraw/zinc/73/91/86/1163739186.db2.gz HUQZGXSTUMBXJE-ZIAGYGMSSA-N 2 1 300.406 0.980 20 30 DCEDMP C[N@H+](CCOCC[NH3+])[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001578476934 1165030310 /nfs/dbraw/zinc/03/03/10/1165030310.db2.gz CKBWQDLCFOZDRE-INIZCTEOSA-N 2 1 316.405 0.961 20 30 DCEDMP C[N@@H+](CCOCC[NH3+])[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001578476934 1165030317 /nfs/dbraw/zinc/03/03/17/1165030317.db2.gz CKBWQDLCFOZDRE-INIZCTEOSA-N 2 1 316.405 0.961 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001660925310 1174069735 /nfs/dbraw/zinc/06/97/35/1174069735.db2.gz JSSLASOMGASERN-MRXNPFEDSA-N 2 1 308.470 0.781 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001660930960 1174071238 /nfs/dbraw/zinc/07/12/38/1174071238.db2.gz WTSYGFURHWPNKX-DLBZAZTESA-N 2 1 320.481 0.923 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001663683685 1174343284 /nfs/dbraw/zinc/34/32/84/1174343284.db2.gz BFGVKQKRFLWSRS-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001663683685 1174343290 /nfs/dbraw/zinc/34/32/90/1174343290.db2.gz BFGVKQKRFLWSRS-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001663683685 1174343297 /nfs/dbraw/zinc/34/32/97/1174343297.db2.gz BFGVKQKRFLWSRS-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001665574237 1174534205 /nfs/dbraw/zinc/53/42/05/1174534205.db2.gz SISLVORJCIVEBS-ILXRZTDVSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001665574237 1174534208 /nfs/dbraw/zinc/53/42/08/1174534208.db2.gz SISLVORJCIVEBS-ILXRZTDVSA-N 2 1 322.453 0.304 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001665948330 1174576198 /nfs/dbraw/zinc/57/61/98/1174576198.db2.gz QVLPNLAPEVBASY-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001667117690 1174662405 /nfs/dbraw/zinc/66/24/05/1174662405.db2.gz BSTIRQIFPYBLGI-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001667117690 1174662408 /nfs/dbraw/zinc/66/24/08/1174662408.db2.gz BSTIRQIFPYBLGI-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001667203857 1174668481 /nfs/dbraw/zinc/66/84/81/1174668481.db2.gz MHAWQKHBBFKCCU-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001667911689 1174731940 /nfs/dbraw/zinc/73/19/40/1174731940.db2.gz JZPHGYRDVNHDAD-HNNXBMFYSA-N 2 1 315.377 0.524 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NCCC ZINC001669584236 1174937633 /nfs/dbraw/zinc/93/76/33/1174937633.db2.gz MDEXYIFZKQJIMM-KKUMJFAQSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NCCC ZINC001669584236 1174937639 /nfs/dbraw/zinc/93/76/39/1174937639.db2.gz MDEXYIFZKQJIMM-KKUMJFAQSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001673700453 1175225861 /nfs/dbraw/zinc/22/58/61/1175225861.db2.gz XWKSUDJEGGLLSI-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001674925893 1175308353 /nfs/dbraw/zinc/30/83/53/1175308353.db2.gz REKGTSQHZJUBOA-HOCLYGCPSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCOCC)CC1 ZINC001675048334 1175321656 /nfs/dbraw/zinc/32/16/56/1175321656.db2.gz DIAIJLSJIHVKKT-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001675348755 1175348882 /nfs/dbraw/zinc/34/88/82/1175348882.db2.gz GZEJEKFERJFBJS-OAHLLOKOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001677168204 1175543011 /nfs/dbraw/zinc/54/30/11/1175543011.db2.gz AQMJNWBMRQGDCI-IAGOWNOFSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001677168204 1175543012 /nfs/dbraw/zinc/54/30/12/1175543012.db2.gz AQMJNWBMRQGDCI-IAGOWNOFSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001677168204 1175543016 /nfs/dbraw/zinc/54/30/16/1175543016.db2.gz AQMJNWBMRQGDCI-IAGOWNOFSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001683859324 1175974058 /nfs/dbraw/zinc/97/40/58/1175974058.db2.gz IEXCBGDFEBPEFN-CVEARBPZSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001688166508 1176392937 /nfs/dbraw/zinc/39/29/37/1176392937.db2.gz ISVFFRQBTJJTAU-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)C[N@H+](C)CCC ZINC001688166508 1176392945 /nfs/dbraw/zinc/39/29/45/1176392945.db2.gz ISVFFRQBTJJTAU-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)C[NH+](C)CCC ZINC001688166508 1176392956 /nfs/dbraw/zinc/39/29/56/1176392956.db2.gz ISVFFRQBTJJTAU-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)C[NH+](C)CCC ZINC001688166508 1176392966 /nfs/dbraw/zinc/39/29/66/1176392966.db2.gz ISVFFRQBTJJTAU-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001689793582 1177045186 /nfs/dbraw/zinc/04/51/86/1177045186.db2.gz PIWVQCFMHKXOTR-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001689793582 1177045195 /nfs/dbraw/zinc/04/51/95/1177045195.db2.gz PIWVQCFMHKXOTR-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001689793582 1177045203 /nfs/dbraw/zinc/04/52/03/1177045203.db2.gz PIWVQCFMHKXOTR-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001690908494 1177346766 /nfs/dbraw/zinc/34/67/66/1177346766.db2.gz ZGWRMSZCYHSERU-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001692221477 1177450305 /nfs/dbraw/zinc/45/03/05/1177450305.db2.gz QSEGMHKSCSGPQD-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001692221477 1177450307 /nfs/dbraw/zinc/45/03/07/1177450307.db2.gz QSEGMHKSCSGPQD-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001692221477 1177450311 /nfs/dbraw/zinc/45/03/11/1177450311.db2.gz QSEGMHKSCSGPQD-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001698563923 1177556348 /nfs/dbraw/zinc/55/63/48/1177556348.db2.gz RRXZGKPQBDJLSH-IAGOWNOFSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001698563923 1177556352 /nfs/dbraw/zinc/55/63/52/1177556352.db2.gz RRXZGKPQBDJLSH-IAGOWNOFSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001699442046 1178139913 /nfs/dbraw/zinc/13/99/13/1178139913.db2.gz NUVSLIYDPZRNJJ-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001699442046 1178139917 /nfs/dbraw/zinc/13/99/17/1178139917.db2.gz NUVSLIYDPZRNJJ-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001699442046 1178139924 /nfs/dbraw/zinc/13/99/24/1178139924.db2.gz NUVSLIYDPZRNJJ-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001699442046 1178139929 /nfs/dbraw/zinc/13/99/29/1178139929.db2.gz NUVSLIYDPZRNJJ-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001699992974 1178410934 /nfs/dbraw/zinc/41/09/34/1178410934.db2.gz YLDXKRLZNNHKOP-KRWDZBQOSA-N 2 1 320.481 0.664 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001700001570 1178419288 /nfs/dbraw/zinc/41/92/88/1178419288.db2.gz BHGSECGDJWOOQM-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001700001570 1178419296 /nfs/dbraw/zinc/41/92/96/1178419296.db2.gz BHGSECGDJWOOQM-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001700001570 1178419302 /nfs/dbraw/zinc/41/93/02/1178419302.db2.gz BHGSECGDJWOOQM-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001700001570 1178419310 /nfs/dbraw/zinc/41/93/10/1178419310.db2.gz BHGSECGDJWOOQM-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001700174533 1178517483 /nfs/dbraw/zinc/51/74/83/1178517483.db2.gz GRLMOGXZYGENOM-INIZCTEOSA-N 2 1 308.470 0.731 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001700174533 1178517486 /nfs/dbraw/zinc/51/74/86/1178517486.db2.gz GRLMOGXZYGENOM-INIZCTEOSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCC)CC1 ZINC001700301462 1178572279 /nfs/dbraw/zinc/57/22/79/1178572279.db2.gz OCSJVJJCJWVORT-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCC)CC1 ZINC001700301462 1178572283 /nfs/dbraw/zinc/57/22/83/1178572283.db2.gz OCSJVJJCJWVORT-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001700319728 1178580905 /nfs/dbraw/zinc/58/09/05/1178580905.db2.gz DTWIIEIKSHVFAH-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001700319728 1178580908 /nfs/dbraw/zinc/58/09/08/1178580908.db2.gz DTWIIEIKSHVFAH-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001700319728 1178580911 /nfs/dbraw/zinc/58/09/11/1178580911.db2.gz DTWIIEIKSHVFAH-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001700577444 1178665920 /nfs/dbraw/zinc/66/59/20/1178665920.db2.gz YASHNOMOLJJBLX-HNNXBMFYSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC=C(C)C ZINC001700943761 1178822108 /nfs/dbraw/zinc/82/21/08/1178822108.db2.gz PROWKVAIWNEUIS-HOTGVXAUSA-N 2 1 307.438 0.459 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC=C(C)C ZINC001700943761 1178822118 /nfs/dbraw/zinc/82/21/18/1178822118.db2.gz PROWKVAIWNEUIS-HOTGVXAUSA-N 2 1 307.438 0.459 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001700965618 1178846224 /nfs/dbraw/zinc/84/62/24/1178846224.db2.gz YKXJBUOUDBKPBO-IAGOWNOFSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001700965618 1178846234 /nfs/dbraw/zinc/84/62/34/1178846234.db2.gz YKXJBUOUDBKPBO-IAGOWNOFSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001700965618 1178846245 /nfs/dbraw/zinc/84/62/45/1178846245.db2.gz YKXJBUOUDBKPBO-IAGOWNOFSA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001707227322 1180441861 /nfs/dbraw/zinc/44/18/61/1180441861.db2.gz SXYCVMMCKPZKND-HZPDHXFCSA-N 2 1 309.454 0.757 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001707227322 1180441865 /nfs/dbraw/zinc/44/18/65/1180441865.db2.gz SXYCVMMCKPZKND-HZPDHXFCSA-N 2 1 309.454 0.757 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001707227322 1180441868 /nfs/dbraw/zinc/44/18/68/1180441868.db2.gz SXYCVMMCKPZKND-HZPDHXFCSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001713321452 1180767496 /nfs/dbraw/zinc/76/74/96/1180767496.db2.gz PFIPBLMLNMNNDI-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001714513627 1181397814 /nfs/dbraw/zinc/39/78/14/1181397814.db2.gz IDVIFUIFYFIXEC-UHFFFAOYSA-N 2 1 309.454 0.995 20 30 DCEDMP CC[NH+](CC)C[C@@H](F)C(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001714967651 1181621313 /nfs/dbraw/zinc/62/13/13/1181621313.db2.gz VCHWFJVHUFLHDT-OAHLLOKOSA-N 2 1 313.417 0.364 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001714987127 1181632308 /nfs/dbraw/zinc/63/23/08/1181632308.db2.gz GFJNRQUGBAUTQV-GJZGRUSLSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001714987127 1181632311 /nfs/dbraw/zinc/63/23/11/1181632311.db2.gz GFJNRQUGBAUTQV-GJZGRUSLSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2cnon2)CC1 ZINC001715377005 1181794859 /nfs/dbraw/zinc/79/48/59/1181794859.db2.gz KQMOCUHMNOHEEG-ZDUSSCGKSA-N 2 1 319.409 0.351 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001715603737 1181890778 /nfs/dbraw/zinc/89/07/78/1181890778.db2.gz VDGZXCXMPFXDJS-HIFRSBDPSA-N 2 1 306.410 0.397 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1cnon1 ZINC001715738124 1181968318 /nfs/dbraw/zinc/96/83/18/1181968318.db2.gz BDSKKDCNUFXUHM-AWEZNQCLSA-N 2 1 305.382 0.105 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1cnon1 ZINC001715738124 1181968320 /nfs/dbraw/zinc/96/83/20/1181968320.db2.gz BDSKKDCNUFXUHM-AWEZNQCLSA-N 2 1 305.382 0.105 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC[C@@H](C)O ZINC001715859632 1182056054 /nfs/dbraw/zinc/05/60/54/1182056054.db2.gz PHFLPIJZMKLZJJ-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC[C@@H](C)O ZINC001715859632 1182056058 /nfs/dbraw/zinc/05/60/58/1182056058.db2.gz PHFLPIJZMKLZJJ-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC[C@@H](C)O ZINC001715859632 1182056060 /nfs/dbraw/zinc/05/60/60/1182056060.db2.gz PHFLPIJZMKLZJJ-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC[C@@H](C)O ZINC001715859632 1182056063 /nfs/dbraw/zinc/05/60/63/1182056063.db2.gz PHFLPIJZMKLZJJ-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001716008332 1182143167 /nfs/dbraw/zinc/14/31/67/1182143167.db2.gz FVCAAMXBQOWPQU-KBPBESRZSA-N 2 1 310.442 0.257 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001716926111 1182581850 /nfs/dbraw/zinc/58/18/50/1182581850.db2.gz LEAHIAUGEVITOI-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001716926111 1182581855 /nfs/dbraw/zinc/58/18/55/1182581855.db2.gz LEAHIAUGEVITOI-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001716926111 1182581860 /nfs/dbraw/zinc/58/18/60/1182581860.db2.gz LEAHIAUGEVITOI-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001717013998 1182622373 /nfs/dbraw/zinc/62/23/73/1182622373.db2.gz ZZMCKWVAPABQFW-IYBDPMFKSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001717013998 1182622377 /nfs/dbraw/zinc/62/23/77/1182622377.db2.gz ZZMCKWVAPABQFW-IYBDPMFKSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001717013998 1182622379 /nfs/dbraw/zinc/62/23/79/1182622379.db2.gz ZZMCKWVAPABQFW-IYBDPMFKSA-N 2 1 309.454 0.921 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717519407 1182879379 /nfs/dbraw/zinc/87/93/79/1182879379.db2.gz XKTIWDVAMIHKJQ-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001717860401 1183036311 /nfs/dbraw/zinc/03/63/11/1183036311.db2.gz KWCGBWDWDBNKSD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001717860401 1183036318 /nfs/dbraw/zinc/03/63/18/1183036318.db2.gz KWCGBWDWDBNKSD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001717860401 1183036325 /nfs/dbraw/zinc/03/63/25/1183036325.db2.gz KWCGBWDWDBNKSD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001717860401 1183036337 /nfs/dbraw/zinc/03/63/37/1183036337.db2.gz KWCGBWDWDBNKSD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001724178821 1184397283 /nfs/dbraw/zinc/39/72/83/1184397283.db2.gz JJNPPZZZHQNPTR-INIZCTEOSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001724178821 1184397293 /nfs/dbraw/zinc/39/72/93/1184397293.db2.gz JJNPPZZZHQNPTR-INIZCTEOSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001724178821 1184397298 /nfs/dbraw/zinc/39/72/98/1184397298.db2.gz JJNPPZZZHQNPTR-INIZCTEOSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001724178821 1184397302 /nfs/dbraw/zinc/39/73/02/1184397302.db2.gz JJNPPZZZHQNPTR-INIZCTEOSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001724370617 1184414833 /nfs/dbraw/zinc/41/48/33/1184414833.db2.gz VMVSLKSTMUOKTA-AWEZNQCLSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001724370617 1184414836 /nfs/dbraw/zinc/41/48/36/1184414836.db2.gz VMVSLKSTMUOKTA-AWEZNQCLSA-N 2 1 311.426 0.148 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001724428328 1184440094 /nfs/dbraw/zinc/44/00/94/1184440094.db2.gz VHEIIZLVIJVREE-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001725233954 1184731108 /nfs/dbraw/zinc/73/11/08/1184731108.db2.gz QTNVRGSUTVUVEM-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001725245945 1184735208 /nfs/dbraw/zinc/73/52/08/1184735208.db2.gz FCVNNLHQDKIYAG-WMLDXEAASA-N 2 1 319.449 0.415 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001725260572 1184742597 /nfs/dbraw/zinc/74/25/97/1184742597.db2.gz RNUUADGMOQIWCU-OLZOCXBDSA-N 2 1 310.442 0.065 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001725298043 1184759056 /nfs/dbraw/zinc/75/90/56/1184759056.db2.gz MKOLGJGNTKRNEA-HNNXBMFYSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001725298043 1184759065 /nfs/dbraw/zinc/75/90/65/1184759065.db2.gz MKOLGJGNTKRNEA-HNNXBMFYSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001725298043 1184759069 /nfs/dbraw/zinc/75/90/69/1184759069.db2.gz MKOLGJGNTKRNEA-HNNXBMFYSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001725298043 1184759074 /nfs/dbraw/zinc/75/90/74/1184759074.db2.gz MKOLGJGNTKRNEA-HNNXBMFYSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725769227 1184988332 /nfs/dbraw/zinc/98/83/32/1184988332.db2.gz IRUQTDGEBDKIQA-IRXDYDNUSA-N 2 1 317.433 0.722 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001731487518 1185356236 /nfs/dbraw/zinc/35/62/36/1185356236.db2.gz JRXBHTNIAUUZGN-YYIAUSFCSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCO ZINC001731546585 1185384262 /nfs/dbraw/zinc/38/42/62/1185384262.db2.gz MFQGQLCWDSTIQC-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCO ZINC001731546585 1185384268 /nfs/dbraw/zinc/38/42/68/1185384268.db2.gz MFQGQLCWDSTIQC-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)[C@@H](C)C(N)=O)CC1 ZINC001731873700 1185543455 /nfs/dbraw/zinc/54/34/55/1185543455.db2.gz NODKRUVVKAJZPG-AWEZNQCLSA-N 2 1 322.453 0.034 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001732288509 1185757940 /nfs/dbraw/zinc/75/79/40/1185757940.db2.gz NAKXALRTPOCFNG-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001732288509 1185757945 /nfs/dbraw/zinc/75/79/45/1185757945.db2.gz NAKXALRTPOCFNG-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CCC[C@@H](C)O)CC1 ZINC001733067977 1186125693 /nfs/dbraw/zinc/12/56/93/1186125693.db2.gz SWVAXBSEBIIECT-HZPDHXFCSA-N 2 1 323.481 0.929 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001733493682 1186302880 /nfs/dbraw/zinc/30/28/80/1186302880.db2.gz VVZRCWHKFYVMQE-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCCO ZINC001734019315 1186522078 /nfs/dbraw/zinc/52/20/78/1186522078.db2.gz CKCLCYNOYXSEQN-HNNXBMFYSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCCO ZINC001734019315 1186522080 /nfs/dbraw/zinc/52/20/80/1186522080.db2.gz CKCLCYNOYXSEQN-HNNXBMFYSA-N 2 1 309.454 0.541 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001734063658 1186535824 /nfs/dbraw/zinc/53/58/24/1186535824.db2.gz AMULUSBOXPQMEW-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001734063658 1186535827 /nfs/dbraw/zinc/53/58/27/1186535827.db2.gz AMULUSBOXPQMEW-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001734252313 1186593341 /nfs/dbraw/zinc/59/33/41/1186593341.db2.gz GTCZAVZYIOEPJX-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC001734441095 1186654373 /nfs/dbraw/zinc/65/43/73/1186654373.db2.gz GDJZVHLCCDCHOP-FUHWJXTLSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC001734441095 1186654374 /nfs/dbraw/zinc/65/43/74/1186654374.db2.gz GDJZVHLCCDCHOP-FUHWJXTLSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734459710 1186658019 /nfs/dbraw/zinc/65/80/19/1186658019.db2.gz NKXTZVCAYBKBRI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734459710 1186658021 /nfs/dbraw/zinc/65/80/21/1186658021.db2.gz NKXTZVCAYBKBRI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001734554050 1186689971 /nfs/dbraw/zinc/68/99/71/1186689971.db2.gz ANJBTBYIQSYOQP-INIZCTEOSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001734554050 1186689974 /nfs/dbraw/zinc/68/99/74/1186689974.db2.gz ANJBTBYIQSYOQP-INIZCTEOSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001734554050 1186689977 /nfs/dbraw/zinc/68/99/77/1186689977.db2.gz ANJBTBYIQSYOQP-INIZCTEOSA-N 2 1 309.454 0.757 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001752825365 1188447308 /nfs/dbraw/zinc/44/73/08/1188447308.db2.gz QVZZQGPYNDAYGS-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001752825365 1188447310 /nfs/dbraw/zinc/44/73/10/1188447310.db2.gz QVZZQGPYNDAYGS-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001752825365 1188447313 /nfs/dbraw/zinc/44/73/13/1188447313.db2.gz QVZZQGPYNDAYGS-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001752825365 1188447315 /nfs/dbraw/zinc/44/73/15/1188447315.db2.gz QVZZQGPYNDAYGS-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001752872180 1188453753 /nfs/dbraw/zinc/45/37/53/1188453753.db2.gz AZFWNOWIFUZXDM-UONOGXRCSA-N 2 1 310.442 0.256 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC1CCOCC1 ZINC001753052038 1188484985 /nfs/dbraw/zinc/48/49/85/1188484985.db2.gz UEMSUTTVPOXZMJ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC1CCOCC1 ZINC001753052038 1188484986 /nfs/dbraw/zinc/48/49/86/1188484986.db2.gz UEMSUTTVPOXZMJ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1CCOCC1 ZINC001753052038 1188484989 /nfs/dbraw/zinc/48/49/89/1188484989.db2.gz UEMSUTTVPOXZMJ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1CCOCC1 ZINC001753052038 1188484990 /nfs/dbraw/zinc/48/49/90/1188484990.db2.gz UEMSUTTVPOXZMJ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+](CCNC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001753154335 1188516285 /nfs/dbraw/zinc/51/62/85/1188516285.db2.gz DNRKAILKENREHG-UHFFFAOYSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC001753156600 1188517830 /nfs/dbraw/zinc/51/78/30/1188517830.db2.gz XNTRDEXNYVKXRQ-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC001753156600 1188517833 /nfs/dbraw/zinc/51/78/33/1188517833.db2.gz XNTRDEXNYVKXRQ-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C[C@@H]1CCOC1)C1CC1 ZINC001753156600 1188517837 /nfs/dbraw/zinc/51/78/37/1188517837.db2.gz XNTRDEXNYVKXRQ-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C[C@@H]1CCOC1)C1CC1 ZINC001753156600 1188517839 /nfs/dbraw/zinc/51/78/39/1188517839.db2.gz XNTRDEXNYVKXRQ-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753352008 1188571701 /nfs/dbraw/zinc/57/17/01/1188571701.db2.gz JBCPKOPPZVGIOR-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001754244658 1188797732 /nfs/dbraw/zinc/79/77/32/1188797732.db2.gz IUHGHSAYSLHQNO-KGLIPLIRSA-N 2 1 324.469 0.197 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001754363002 1188832473 /nfs/dbraw/zinc/83/24/73/1188832473.db2.gz KKKNGSBJHRAPQA-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001754846523 1188947225 /nfs/dbraw/zinc/94/72/25/1188947225.db2.gz KIUZSXGFYWKSCO-GASCZTMLSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001754846523 1188947229 /nfs/dbraw/zinc/94/72/29/1188947229.db2.gz KIUZSXGFYWKSCO-GASCZTMLSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001754846523 1188947233 /nfs/dbraw/zinc/94/72/33/1188947233.db2.gz KIUZSXGFYWKSCO-GASCZTMLSA-N 2 1 322.453 0.021 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCC=C)C1 ZINC001755002954 1188992172 /nfs/dbraw/zinc/99/21/72/1188992172.db2.gz CPFQBMAAXSRKEH-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCC=C)C1 ZINC001755002954 1188992174 /nfs/dbraw/zinc/99/21/74/1188992174.db2.gz CPFQBMAAXSRKEH-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755347796 1189089500 /nfs/dbraw/zinc/08/95/00/1189089500.db2.gz MYXIWBGVRKOJBD-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001755448290 1189115210 /nfs/dbraw/zinc/11/52/10/1189115210.db2.gz QOBYPGZODKNCGQ-DZGCQCFKSA-N 2 1 304.394 0.420 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001077583548 751862384 /nfs/dbraw/zinc/86/23/84/751862384.db2.gz ALOPNGSCBWMFPX-BPLDGKMQSA-N 2 1 304.394 0.101 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001077583548 751862397 /nfs/dbraw/zinc/86/23/97/751862397.db2.gz ALOPNGSCBWMFPX-BPLDGKMQSA-N 2 1 304.394 0.101 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107578857 752129369 /nfs/dbraw/zinc/12/93/69/752129369.db2.gz DUKIFTBUAOZIJJ-SJLPKXTDSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107578857 752129371 /nfs/dbraw/zinc/12/93/71/752129371.db2.gz DUKIFTBUAOZIJJ-SJLPKXTDSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167225383 747026603 /nfs/dbraw/zinc/02/66/03/747026603.db2.gz SZDHVWJFJGYNIW-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098560993 747335815 /nfs/dbraw/zinc/33/58/15/747335815.db2.gz LPSDLTHJOVPLMK-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098560993 747335819 /nfs/dbraw/zinc/33/58/19/747335819.db2.gz LPSDLTHJOVPLMK-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098560993 747335825 /nfs/dbraw/zinc/33/58/25/747335825.db2.gz LPSDLTHJOVPLMK-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168022685 749046667 /nfs/dbraw/zinc/04/66/67/749046667.db2.gz PYYRACYMWFNAAY-LSDHHAIUSA-N 2 1 322.453 0.401 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001077979993 752940531 /nfs/dbraw/zinc/94/05/31/752940531.db2.gz JAKHOQLYVAEOEI-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077979993 752940535 /nfs/dbraw/zinc/94/05/35/752940535.db2.gz JAKHOQLYVAEOEI-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001077979993 752940537 /nfs/dbraw/zinc/94/05/37/752940537.db2.gz JAKHOQLYVAEOEI-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001077979993 752940540 /nfs/dbraw/zinc/94/05/40/752940540.db2.gz JAKHOQLYVAEOEI-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001078228615 753123998 /nfs/dbraw/zinc/12/39/98/753123998.db2.gz XVUGTAASPNWPGR-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078228615 753124001 /nfs/dbraw/zinc/12/40/01/753124001.db2.gz XVUGTAASPNWPGR-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078228615 753124003 /nfs/dbraw/zinc/12/40/03/753124003.db2.gz XVUGTAASPNWPGR-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001045505845 753220794 /nfs/dbraw/zinc/22/07/94/753220794.db2.gz DNTVQQGWGAPBEI-CSLYMUCUSA-N 2 1 317.433 0.454 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046008925 753411549 /nfs/dbraw/zinc/41/15/49/753411549.db2.gz BSHUAFOYJAQLPH-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046008925 753411551 /nfs/dbraw/zinc/41/15/51/753411551.db2.gz BSHUAFOYJAQLPH-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046008925 753411553 /nfs/dbraw/zinc/41/15/53/753411553.db2.gz BSHUAFOYJAQLPH-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035461 753439020 /nfs/dbraw/zinc/43/90/20/753439020.db2.gz METLLYYFZNCSLW-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081543 753470987 /nfs/dbraw/zinc/47/09/87/753470987.db2.gz HEHNHLBJVYNUIO-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081543 753470990 /nfs/dbraw/zinc/47/09/90/753470990.db2.gz HEHNHLBJVYNUIO-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081543 753470993 /nfs/dbraw/zinc/47/09/93/753470993.db2.gz HEHNHLBJVYNUIO-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047483120 754321798 /nfs/dbraw/zinc/32/17/98/754321798.db2.gz XPZFGURHJJFWNA-GJZGRUSLSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047483120 754321801 /nfs/dbraw/zinc/32/18/01/754321801.db2.gz XPZFGURHJJFWNA-GJZGRUSLSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047482800 754322347 /nfs/dbraw/zinc/32/23/47/754322347.db2.gz KWHBXQYEQMIZNV-GJZGRUSLSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083864121 754448503 /nfs/dbraw/zinc/44/85/03/754448503.db2.gz YYXBGOHEOBNCST-CVEARBPZSA-N 2 1 303.406 0.709 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083864121 754448506 /nfs/dbraw/zinc/44/85/06/754448506.db2.gz YYXBGOHEOBNCST-CVEARBPZSA-N 2 1 303.406 0.709 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090261128 754825357 /nfs/dbraw/zinc/82/53/57/754825357.db2.gz MPBUKKMRKBBYTK-LSDHHAIUSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC001048824385 754962312 /nfs/dbraw/zinc/96/23/12/754962312.db2.gz BBVGDHOEUWLTRS-GASCZTMLSA-N 2 1 317.437 0.635 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001048868771 754987309 /nfs/dbraw/zinc/98/73/09/754987309.db2.gz NIRNUOPRYIUIFL-BBWFWOEESA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CC3)C[C@@H]2C1 ZINC001048868771 754987312 /nfs/dbraw/zinc/98/73/12/754987312.db2.gz NIRNUOPRYIUIFL-BBWFWOEESA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CC3)C[C@@H]2C1 ZINC001048868771 754987318 /nfs/dbraw/zinc/98/73/18/754987318.db2.gz NIRNUOPRYIUIFL-BBWFWOEESA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048868771 754987324 /nfs/dbraw/zinc/98/73/24/754987324.db2.gz NIRNUOPRYIUIFL-BBWFWOEESA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001048868771 754987329 /nfs/dbraw/zinc/98/73/29/754987329.db2.gz NIRNUOPRYIUIFL-BBWFWOEESA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048885065 754997828 /nfs/dbraw/zinc/99/78/28/754997828.db2.gz LDAKLGIVWOJYID-IYBDPMFKSA-N 2 1 301.434 0.886 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549829 755311369 /nfs/dbraw/zinc/31/13/69/755311369.db2.gz RXYYVNAHGUGWDP-QBPKDAKJSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549829 755311373 /nfs/dbraw/zinc/31/13/73/755311373.db2.gz RXYYVNAHGUGWDP-QBPKDAKJSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549829 755311376 /nfs/dbraw/zinc/31/13/76/755311376.db2.gz RXYYVNAHGUGWDP-QBPKDAKJSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549829 755311380 /nfs/dbraw/zinc/31/13/80/755311380.db2.gz RXYYVNAHGUGWDP-QBPKDAKJSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049902698 755440524 /nfs/dbraw/zinc/44/05/24/755440524.db2.gz CBKODZOJECDABR-XHSDSOJGSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049902698 755440526 /nfs/dbraw/zinc/44/05/26/755440526.db2.gz CBKODZOJECDABR-XHSDSOJGSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902698 755440527 /nfs/dbraw/zinc/44/05/27/755440527.db2.gz CBKODZOJECDABR-XHSDSOJGSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902698 755440529 /nfs/dbraw/zinc/44/05/29/755440529.db2.gz CBKODZOJECDABR-XHSDSOJGSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353259 755655607 /nfs/dbraw/zinc/65/56/07/755655607.db2.gz ABSHPIGZWDMRRA-JKSUJKDBSA-N 2 1 319.449 0.437 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686009 756756748 /nfs/dbraw/zinc/75/67/48/756756748.db2.gz BEYVSMKZQBVELY-HUUCEWRRSA-N 2 1 321.425 0.060 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686009 756756749 /nfs/dbraw/zinc/75/67/49/756756749.db2.gz BEYVSMKZQBVELY-HUUCEWRRSA-N 2 1 321.425 0.060 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001081766765 756801897 /nfs/dbraw/zinc/80/18/97/756801897.db2.gz CFXLSEJUMYBSMJ-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766765 756801900 /nfs/dbraw/zinc/80/19/00/756801900.db2.gz CFXLSEJUMYBSMJ-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766765 756801908 /nfs/dbraw/zinc/80/19/08/756801908.db2.gz CFXLSEJUMYBSMJ-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](O)C1 ZINC001090380891 757271977 /nfs/dbraw/zinc/27/19/77/757271977.db2.gz HGOBMJYABWZAKX-HZPDHXFCSA-N 2 1 314.389 0.994 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083106790 757497923 /nfs/dbraw/zinc/49/79/23/757497923.db2.gz VTRPTMAOTBZUCU-JKSUJKDBSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083106790 757497925 /nfs/dbraw/zinc/49/79/25/757497925.db2.gz VTRPTMAOTBZUCU-JKSUJKDBSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106790 757497930 /nfs/dbraw/zinc/49/79/30/757497930.db2.gz VTRPTMAOTBZUCU-JKSUJKDBSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106790 757497933 /nfs/dbraw/zinc/49/79/33/757497933.db2.gz VTRPTMAOTBZUCU-JKSUJKDBSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2O)CC1 ZINC001084087844 757668941 /nfs/dbraw/zinc/66/89/41/757668941.db2.gz CSYXNKLDUQAPFT-SJORKVTESA-N 2 1 319.449 0.293 20 30 DCEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578001 762583565 /nfs/dbraw/zinc/58/35/65/762583565.db2.gz FXNJZJLZAMXXAT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578001 762583569 /nfs/dbraw/zinc/58/35/69/762583569.db2.gz FXNJZJLZAMXXAT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578001 762583575 /nfs/dbraw/zinc/58/35/75/762583575.db2.gz FXNJZJLZAMXXAT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578001 762583582 /nfs/dbraw/zinc/58/35/82/762583582.db2.gz FXNJZJLZAMXXAT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001098371575 762657730 /nfs/dbraw/zinc/65/77/30/762657730.db2.gz ZADMEUNUIJIPJW-DLBZAZTESA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001098371575 762657733 /nfs/dbraw/zinc/65/77/33/762657733.db2.gz ZADMEUNUIJIPJW-DLBZAZTESA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001098371575 762657736 /nfs/dbraw/zinc/65/77/36/762657736.db2.gz ZADMEUNUIJIPJW-DLBZAZTESA-N 2 1 321.465 0.635 20 30 DCEDMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@@H]2C1 ZINC000826709880 758841627 /nfs/dbraw/zinc/84/16/27/758841627.db2.gz GIBYJWYAPQTEAY-CABCVRRESA-N 2 1 303.410 0.526 20 30 DCEDMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@@H]2C1 ZINC000826709880 758841633 /nfs/dbraw/zinc/84/16/33/758841633.db2.gz GIBYJWYAPQTEAY-CABCVRRESA-N 2 1 303.410 0.526 20 30 DCEDMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]2C1 ZINC000826709880 758841642 /nfs/dbraw/zinc/84/16/42/758841642.db2.gz GIBYJWYAPQTEAY-CABCVRRESA-N 2 1 303.410 0.526 20 30 DCEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]2C1 ZINC000826709880 758841651 /nfs/dbraw/zinc/84/16/51/758841651.db2.gz GIBYJWYAPQTEAY-CABCVRRESA-N 2 1 303.410 0.526 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085602375 759114875 /nfs/dbraw/zinc/11/48/75/759114875.db2.gz YVMDUMLWEAGXDM-CQSZACIVSA-N 2 1 305.426 0.777 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085602375 759114882 /nfs/dbraw/zinc/11/48/82/759114882.db2.gz YVMDUMLWEAGXDM-CQSZACIVSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@@H+](C(C)C)CCO2)CC1 ZINC001108419983 760508533 /nfs/dbraw/zinc/50/85/33/760508533.db2.gz UUEBBAHVJZZNKB-SFHVURJKSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001115300796 760757127 /nfs/dbraw/zinc/75/71/27/760757127.db2.gz ZVPUZCQOVKQZLQ-TWMKSMIVSA-N 2 1 319.449 0.557 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001115300796 760757132 /nfs/dbraw/zinc/75/71/32/760757132.db2.gz ZVPUZCQOVKQZLQ-TWMKSMIVSA-N 2 1 319.449 0.557 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001115300796 760757141 /nfs/dbraw/zinc/75/71/41/760757141.db2.gz ZVPUZCQOVKQZLQ-TWMKSMIVSA-N 2 1 319.449 0.557 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC#CCOC)C2 ZINC001148656759 768024716 /nfs/dbraw/zinc/02/47/16/768024716.db2.gz CRAHUYKDUUUNJG-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071204032 761703446 /nfs/dbraw/zinc/70/34/46/761703446.db2.gz MCNTVRBEVFUOQS-QAPCUYQASA-N 2 1 319.449 0.653 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547921 762896196 /nfs/dbraw/zinc/89/61/96/762896196.db2.gz NLIWHHBUGFYVOK-HZMVEIRTSA-N 2 1 321.465 0.919 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001114304728 762928484 /nfs/dbraw/zinc/92/84/84/762928484.db2.gz XQZKONZFEFGZDT-FIDHJVLJSA-N 2 1 321.465 0.966 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114304728 762928486 /nfs/dbraw/zinc/92/84/86/762928486.db2.gz XQZKONZFEFGZDT-FIDHJVLJSA-N 2 1 321.465 0.966 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114304728 762928489 /nfs/dbraw/zinc/92/84/89/762928489.db2.gz XQZKONZFEFGZDT-FIDHJVLJSA-N 2 1 321.465 0.966 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129919598 763050835 /nfs/dbraw/zinc/05/08/35/763050835.db2.gz ZMOSUNQVXKEQFB-KGLIPLIRSA-N 2 1 320.441 0.536 20 30 DCEDMP C=C(Cl)CN1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879615 763096499 /nfs/dbraw/zinc/09/64/99/763096499.db2.gz MYOVBRGDEHJNBM-ZIAGYGMSSA-N 2 1 315.845 0.775 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100014084 763218566 /nfs/dbraw/zinc/21/85/66/763218566.db2.gz YJMRPSIDYNMPNZ-LSDHHAIUSA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100014084 763218572 /nfs/dbraw/zinc/21/85/72/763218572.db2.gz YJMRPSIDYNMPNZ-LSDHHAIUSA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100014084 763218576 /nfs/dbraw/zinc/21/85/76/763218576.db2.gz YJMRPSIDYNMPNZ-LSDHHAIUSA-N 2 1 309.454 0.539 20 30 DCEDMP C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001171364829 768123717 /nfs/dbraw/zinc/12/37/17/768123717.db2.gz BSICBERATROKDW-ZANVPECISA-N 2 1 301.350 0.669 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131691936 763951673 /nfs/dbraw/zinc/95/16/73/763951673.db2.gz BRBFLFHXBKNEHG-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460760 764102822 /nfs/dbraw/zinc/10/28/22/764102822.db2.gz WCEUWKRGAHVFGY-NUJGCVRESA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460760 764102826 /nfs/dbraw/zinc/10/28/26/764102826.db2.gz WCEUWKRGAHVFGY-NUJGCVRESA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460760 764102832 /nfs/dbraw/zinc/10/28/32/764102832.db2.gz WCEUWKRGAHVFGY-NUJGCVRESA-N 2 1 319.449 0.368 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001098477864 764146096 /nfs/dbraw/zinc/14/60/96/764146096.db2.gz MPAWOUAQLPYFLZ-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477864 764146097 /nfs/dbraw/zinc/14/60/97/764146097.db2.gz MPAWOUAQLPYFLZ-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477864 764146101 /nfs/dbraw/zinc/14/61/01/764146101.db2.gz MPAWOUAQLPYFLZ-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)c1nccn12 ZINC001101641218 764214830 /nfs/dbraw/zinc/21/48/30/764214830.db2.gz LFTCXOFZRJTBBN-CQSZACIVSA-N 2 1 315.421 0.430 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098478820 764367534 /nfs/dbraw/zinc/36/75/34/764367534.db2.gz FRYORNBHGSFNST-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001098478820 764367545 /nfs/dbraw/zinc/36/75/45/764367545.db2.gz FRYORNBHGSFNST-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001098478820 764367555 /nfs/dbraw/zinc/36/75/55/764367555.db2.gz FRYORNBHGSFNST-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102376885 764620293 /nfs/dbraw/zinc/62/02/93/764620293.db2.gz APFQZURIKFIFIE-KFWWJZLASA-N 2 1 324.469 0.313 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133867861 765194063 /nfs/dbraw/zinc/19/40/63/765194063.db2.gz XVYRJJRAGHCRNO-ONGXEEELSA-N 2 1 304.232 0.799 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245015 765660167 /nfs/dbraw/zinc/66/01/67/765660167.db2.gz KBABYVAOODGRJY-CAOSSQGBSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546236 765755789 /nfs/dbraw/zinc/75/57/89/765755789.db2.gz HUDJELQEZWRWRS-HZPDHXFCSA-N 2 1 319.449 0.892 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001124873255 768320717 /nfs/dbraw/zinc/32/07/17/768320717.db2.gz UUSWOVCCWSJCSZ-OAHLLOKOSA-N 2 1 304.369 0.997 20 30 DCEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001118125612 766232506 /nfs/dbraw/zinc/23/25/06/766232506.db2.gz VLWHBSAMYOMEPV-CYBMUJFWSA-N 2 1 304.398 0.526 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090616197 766381604 /nfs/dbraw/zinc/38/16/04/766381604.db2.gz MWALOLLDAGCYMB-ZIAGYGMSSA-N 2 1 306.410 0.744 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090616197 766381612 /nfs/dbraw/zinc/38/16/12/766381612.db2.gz MWALOLLDAGCYMB-ZIAGYGMSSA-N 2 1 306.410 0.744 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090734275 766530125 /nfs/dbraw/zinc/53/01/25/766530125.db2.gz KCBQEOKLAKSNOF-DZGCQCFKSA-N 2 1 304.394 0.499 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090734275 766530133 /nfs/dbraw/zinc/53/01/33/766530133.db2.gz KCBQEOKLAKSNOF-DZGCQCFKSA-N 2 1 304.394 0.499 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808685 766621074 /nfs/dbraw/zinc/62/10/74/766621074.db2.gz NLTVZHLVMVRZAL-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808685 766621081 /nfs/dbraw/zinc/62/10/81/766621081.db2.gz NLTVZHLVMVRZAL-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001171225869 767048540 /nfs/dbraw/zinc/04/85/40/767048540.db2.gz AMCBMXYAYZEOLD-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171225954 767049652 /nfs/dbraw/zinc/04/96/52/767049652.db2.gz BWHMDRLQBOAGRB-KGLIPLIRSA-N 2 1 310.442 0.115 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001122220558 767743373 /nfs/dbraw/zinc/74/33/73/767743373.db2.gz YMUHCCFBEBYDFJ-HVEGKCCWSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001122220558 767743375 /nfs/dbraw/zinc/74/33/75/767743375.db2.gz YMUHCCFBEBYDFJ-HVEGKCCWSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCOC)C2 ZINC001147737113 767837772 /nfs/dbraw/zinc/83/77/72/767837772.db2.gz RGOBBTHGNXASAI-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCOC)C2 ZINC001147737113 767837779 /nfs/dbraw/zinc/83/77/79/767837779.db2.gz RGOBBTHGNXASAI-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCOC)C2 ZINC001147737113 767837786 /nfs/dbraw/zinc/83/77/86/767837786.db2.gz RGOBBTHGNXASAI-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCOC)C2 ZINC001147737113 767837792 /nfs/dbraw/zinc/83/77/92/767837792.db2.gz RGOBBTHGNXASAI-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093213142 768495245 /nfs/dbraw/zinc/49/52/45/768495245.db2.gz WVZLDCROKQGGCD-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093213142 768495249 /nfs/dbraw/zinc/49/52/49/768495249.db2.gz WVZLDCROKQGGCD-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093213142 768495255 /nfs/dbraw/zinc/49/52/55/768495255.db2.gz WVZLDCROKQGGCD-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093213142 768495259 /nfs/dbraw/zinc/49/52/59/768495259.db2.gz WVZLDCROKQGGCD-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149841869 768879713 /nfs/dbraw/zinc/87/97/13/768879713.db2.gz LNUFIYDJKCHGLH-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001149863267 768890459 /nfs/dbraw/zinc/89/04/59/768890459.db2.gz ZRQHKARUXRZAJT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149863267 768890467 /nfs/dbraw/zinc/89/04/67/768890467.db2.gz ZRQHKARUXRZAJT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863267 768890483 /nfs/dbraw/zinc/89/04/83/768890483.db2.gz ZRQHKARUXRZAJT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863267 768890500 /nfs/dbraw/zinc/89/05/00/768890500.db2.gz ZRQHKARUXRZAJT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150725025 769169701 /nfs/dbraw/zinc/16/97/01/769169701.db2.gz UBBFAERJQDKHLM-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150725025 769169708 /nfs/dbraw/zinc/16/97/08/769169708.db2.gz UBBFAERJQDKHLM-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033928 770049268 /nfs/dbraw/zinc/04/92/68/770049268.db2.gz QKKDBEZPISYRFL-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033928 770049282 /nfs/dbraw/zinc/04/92/82/770049282.db2.gz QKKDBEZPISYRFL-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033928 770049292 /nfs/dbraw/zinc/04/92/92/770049292.db2.gz QKKDBEZPISYRFL-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176992577 770282763 /nfs/dbraw/zinc/28/27/63/770282763.db2.gz UUUVVLMOIIBUEY-GJZGRUSLSA-N 2 1 324.469 0.647 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176992630 770282833 /nfs/dbraw/zinc/28/28/33/770282833.db2.gz WABXFFQGCXSPBU-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP COc1cc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)ncc1C#N ZINC001155363075 770477229 /nfs/dbraw/zinc/47/72/29/770477229.db2.gz KXJOWIGETLEUJA-CQSZACIVSA-N 2 1 301.394 0.821 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200786 770747136 /nfs/dbraw/zinc/74/71/36/770747136.db2.gz QCTSVTBNYFYANN-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200786 770747141 /nfs/dbraw/zinc/74/71/41/770747141.db2.gz QCTSVTBNYFYANN-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001156200786 770747146 /nfs/dbraw/zinc/74/71/46/770747146.db2.gz QCTSVTBNYFYANN-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001156200786 770747150 /nfs/dbraw/zinc/74/71/50/770747150.db2.gz QCTSVTBNYFYANN-CQSZACIVSA-N 2 1 312.458 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCO ZINC001178722658 770833155 /nfs/dbraw/zinc/83/31/55/770833155.db2.gz LXQQSDYBJFXOCJ-INIZCTEOSA-N 2 1 309.454 0.733 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCO ZINC001178722658 770833171 /nfs/dbraw/zinc/83/31/71/770833171.db2.gz LXQQSDYBJFXOCJ-INIZCTEOSA-N 2 1 309.454 0.733 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179150565 770955192 /nfs/dbraw/zinc/95/51/92/770955192.db2.gz VIYVUVDVSQYNKC-GJZGRUSLSA-N 2 1 306.410 0.973 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180900114 771198816 /nfs/dbraw/zinc/19/88/16/771198816.db2.gz WFNFZJJFEDZUSM-SOLBZPMBSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009145 771217599 /nfs/dbraw/zinc/21/75/99/771217599.db2.gz PZUSBZWKMBOMJU-HLLBOEOZSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009145 771217600 /nfs/dbraw/zinc/21/76/00/771217600.db2.gz PZUSBZWKMBOMJU-HLLBOEOZSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158038088 771717503 /nfs/dbraw/zinc/71/75/03/771717503.db2.gz MUNRGTWYPQOEPD-JKSUJKDBSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCN1C(=O)CC[C@]12CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001159653160 771939650 /nfs/dbraw/zinc/93/96/50/771939650.db2.gz PKUBXIKXLIPRRS-BBRMVZONSA-N 2 1 308.426 0.222 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@H]1CCCO1 ZINC001160209552 772008805 /nfs/dbraw/zinc/00/88/05/772008805.db2.gz QCFJTMAWSMGUJZ-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@H]1CCCO1 ZINC001160209552 772008810 /nfs/dbraw/zinc/00/88/10/772008810.db2.gz QCFJTMAWSMGUJZ-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCOCC1 ZINC001160209231 772009747 /nfs/dbraw/zinc/00/97/47/772009747.db2.gz FCYRROIUZFYMNL-INIZCTEOSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCOCC1 ZINC001160209231 772009750 /nfs/dbraw/zinc/00/97/50/772009750.db2.gz FCYRROIUZFYMNL-INIZCTEOSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001186363091 772033257 /nfs/dbraw/zinc/03/32/57/772033257.db2.gz UGRDRGYAQUFITB-MRXNPFEDSA-N 2 1 318.421 0.812 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699784 772267749 /nfs/dbraw/zinc/26/77/49/772267749.db2.gz ZANMMMYUWRQVFL-UHFFFAOYSA-N 2 1 307.438 0.726 20 30 DCEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190645628 772656492 /nfs/dbraw/zinc/65/64/92/772656492.db2.gz UMKQWQDABINGNR-HZPDHXFCSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190645628 772656495 /nfs/dbraw/zinc/65/64/95/772656495.db2.gz UMKQWQDABINGNR-HZPDHXFCSA-N 2 1 319.453 0.922 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345773 772988313 /nfs/dbraw/zinc/98/83/13/772988313.db2.gz YAHLPDZSSYFVHY-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193026542 772997616 /nfs/dbraw/zinc/99/76/16/772997616.db2.gz KWPPIFKDVCWRJC-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077042 773000924 /nfs/dbraw/zinc/00/09/24/773000924.db2.gz GOOBLMUMSGXAFJ-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193102331 773005102 /nfs/dbraw/zinc/00/51/02/773005102.db2.gz HRSHTKBSMHNNRS-RBSFLKMASA-N 2 1 318.421 0.581 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001205719487 773013607 /nfs/dbraw/zinc/01/36/07/773013607.db2.gz POKXPLYUEOLRJV-PQUAAJSLSA-N 2 1 317.433 0.311 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193623070 773091092 /nfs/dbraw/zinc/09/10/92/773091092.db2.gz XAXSSFOPHSVJMC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193623070 773091096 /nfs/dbraw/zinc/09/10/96/773091096.db2.gz XAXSSFOPHSVJMC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193623070 773091101 /nfs/dbraw/zinc/09/11/01/773091101.db2.gz XAXSSFOPHSVJMC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193623070 773091106 /nfs/dbraw/zinc/09/11/06/773091106.db2.gz XAXSSFOPHSVJMC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601149 773096431 /nfs/dbraw/zinc/09/64/31/773096431.db2.gz UGNIOVYXFPMIBF-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193601149 773096435 /nfs/dbraw/zinc/09/64/35/773096435.db2.gz UGNIOVYXFPMIBF-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193601149 773096438 /nfs/dbraw/zinc/09/64/38/773096438.db2.gz UGNIOVYXFPMIBF-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193601149 773096440 /nfs/dbraw/zinc/09/64/40/773096440.db2.gz UGNIOVYXFPMIBF-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980244 773155294 /nfs/dbraw/zinc/15/52/94/773155294.db2.gz NQJLUMMJNDXTAH-HYVNUMGLSA-N 2 1 321.465 0.967 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)COC)C2)CC1 ZINC001194245564 773167498 /nfs/dbraw/zinc/16/74/98/773167498.db2.gz CMYWTUNCYAWUAF-WBVHZDCISA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194293831 773178260 /nfs/dbraw/zinc/17/82/60/773178260.db2.gz JNGGHBYJOZRGIT-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293831 773178263 /nfs/dbraw/zinc/17/82/63/773178263.db2.gz JNGGHBYJOZRGIT-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293831 773178266 /nfs/dbraw/zinc/17/82/66/773178266.db2.gz JNGGHBYJOZRGIT-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194988944 773300228 /nfs/dbraw/zinc/30/02/28/773300228.db2.gz SRAXJLBVMDURRD-HZPDHXFCSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194988944 773300235 /nfs/dbraw/zinc/30/02/35/773300235.db2.gz SRAXJLBVMDURRD-HZPDHXFCSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194988944 773300238 /nfs/dbraw/zinc/30/02/38/773300238.db2.gz SRAXJLBVMDURRD-HZPDHXFCSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194988944 773300245 /nfs/dbraw/zinc/30/02/45/773300245.db2.gz SRAXJLBVMDURRD-HZPDHXFCSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCOC)C1 ZINC001208352436 773440749 /nfs/dbraw/zinc/44/07/49/773440749.db2.gz FGHVWYABALHQPB-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCOC)C1 ZINC001208352436 773440752 /nfs/dbraw/zinc/44/07/52/773440752.db2.gz FGHVWYABALHQPB-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242822 773573750 /nfs/dbraw/zinc/57/37/50/773573750.db2.gz OPKINVBSGUJVPX-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242822 773573753 /nfs/dbraw/zinc/57/37/53/773573753.db2.gz OPKINVBSGUJVPX-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209830334 773650941 /nfs/dbraw/zinc/65/09/41/773650941.db2.gz YPMPLURSOFZWGS-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197017765 773677060 /nfs/dbraw/zinc/67/70/60/773677060.db2.gz HTURHDBQORBWIG-BZUAXINKSA-N 2 1 309.454 0.537 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnns2)CC1 ZINC001152330211 773730210 /nfs/dbraw/zinc/73/02/10/773730210.db2.gz IVKADPUQCBEQOH-UHFFFAOYSA-N 2 1 307.423 0.089 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213581194 773862617 /nfs/dbraw/zinc/86/26/17/773862617.db2.gz PVSQPTPHERPWFY-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213581194 773862623 /nfs/dbraw/zinc/86/26/23/773862623.db2.gz PVSQPTPHERPWFY-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184726 774047299 /nfs/dbraw/zinc/04/72/99/774047299.db2.gz PYYYAIJQWHGKFP-MYPHYYIGSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757646 774134268 /nfs/dbraw/zinc/13/42/68/774134268.db2.gz HKIZVWKZDNJFNJ-UKRRQHHQSA-N 2 1 306.410 0.831 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033453 774352272 /nfs/dbraw/zinc/35/22/72/774352272.db2.gz MKYFKYSHJLJDJR-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200704188 774395452 /nfs/dbraw/zinc/39/54/52/774395452.db2.gz IPPOTHZPPAOQGZ-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCCO1 ZINC001201640098 774530832 /nfs/dbraw/zinc/53/08/32/774530832.db2.gz SHIUGFTZVCRDRC-INIZCTEOSA-N 2 1 318.421 0.812 20 30 DCEDMP C=C1C[NH2+][C@](C)(C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC001219796246 774610587 /nfs/dbraw/zinc/61/05/87/774610587.db2.gz SNLFILIVQNZHMR-KRWDZBQOSA-N 2 1 306.454 0.627 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078625 774689326 /nfs/dbraw/zinc/68/93/26/774689326.db2.gz XJDLGZUQZDILCZ-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406447 774842778 /nfs/dbraw/zinc/84/27/78/774842778.db2.gz CVLBQVHSLDBSIX-FICVDOATSA-N 2 1 307.438 0.720 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096628 774995790 /nfs/dbraw/zinc/99/57/90/774995790.db2.gz VNRFWWGCTLFHKM-IKGGRYGDSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096628 774995796 /nfs/dbraw/zinc/99/57/96/774995796.db2.gz VNRFWWGCTLFHKM-IKGGRYGDSA-N 2 1 321.465 0.682 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114565310 775930252 /nfs/dbraw/zinc/93/02/52/775930252.db2.gz IQTVMFXGZFDCNY-FOLVSLTJSA-N 2 1 304.394 0.441 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114565310 775930261 /nfs/dbraw/zinc/93/02/61/775930261.db2.gz IQTVMFXGZFDCNY-FOLVSLTJSA-N 2 1 304.394 0.441 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114976257 776140783 /nfs/dbraw/zinc/14/07/83/776140783.db2.gz WIYZEEORBSPZPH-QLPKVWCKSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114976257 776140792 /nfs/dbraw/zinc/14/07/92/776140792.db2.gz WIYZEEORBSPZPH-QLPKVWCKSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001040944395 776986056 /nfs/dbraw/zinc/98/60/56/776986056.db2.gz HKHMQNNJKDLJMB-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001040944395 776986062 /nfs/dbraw/zinc/98/60/62/776986062.db2.gz HKHMQNNJKDLJMB-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167193 777104767 /nfs/dbraw/zinc/10/47/67/777104767.db2.gz KLCYRNVCCWVBLJ-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167193 777104771 /nfs/dbraw/zinc/10/47/71/777104771.db2.gz KLCYRNVCCWVBLJ-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167193 777104778 /nfs/dbraw/zinc/10/47/78/777104778.db2.gz KLCYRNVCCWVBLJ-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167193 777104784 /nfs/dbraw/zinc/10/47/84/777104784.db2.gz KLCYRNVCCWVBLJ-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041744207 777464757 /nfs/dbraw/zinc/46/47/57/777464757.db2.gz YIQDZVGZTQGHGE-QGZVFWFLSA-N 2 1 305.422 0.266 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041744207 777464764 /nfs/dbraw/zinc/46/47/64/777464764.db2.gz YIQDZVGZTQGHGE-QGZVFWFLSA-N 2 1 305.422 0.266 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001266874434 939263111 /nfs/dbraw/zinc/26/31/11/939263111.db2.gz LMPLBIQDFLUNNM-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001266874435 939263157 /nfs/dbraw/zinc/26/31/57/939263157.db2.gz LMPLBIQDFLUNNM-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267296438 939417576 /nfs/dbraw/zinc/41/75/76/939417576.db2.gz NTXSBAUJXMAQSJ-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267296438 939417577 /nfs/dbraw/zinc/41/75/77/939417577.db2.gz NTXSBAUJXMAQSJ-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267296438 939417580 /nfs/dbraw/zinc/41/75/80/939417580.db2.gz NTXSBAUJXMAQSJ-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267372320 939438415 /nfs/dbraw/zinc/43/84/15/939438415.db2.gz LSCYWAVAYKYUEK-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCNC(=O)C[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001481144938 939584014 /nfs/dbraw/zinc/58/40/14/939584014.db2.gz UETNZUZMXZIULS-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001481144938 939584015 /nfs/dbraw/zinc/58/40/15/939584015.db2.gz UETNZUZMXZIULS-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481144938 939584016 /nfs/dbraw/zinc/58/40/16/939584016.db2.gz UETNZUZMXZIULS-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001481144938 939584017 /nfs/dbraw/zinc/58/40/17/939584017.db2.gz UETNZUZMXZIULS-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267787852 939683050 /nfs/dbraw/zinc/68/30/50/939683050.db2.gz LBGZLUBBBWRHOR-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267787852 939683051 /nfs/dbraw/zinc/68/30/51/939683051.db2.gz LBGZLUBBBWRHOR-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267970476 939715739 /nfs/dbraw/zinc/71/57/39/939715739.db2.gz RSNHNHBMANQGIB-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267970476 939715741 /nfs/dbraw/zinc/71/57/41/939715741.db2.gz RSNHNHBMANQGIB-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481506792 939906388 /nfs/dbraw/zinc/90/63/88/939906388.db2.gz KWAPCLYTSHTVDW-HZPDHXFCSA-N 2 1 307.438 0.368 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268085974 939931820 /nfs/dbraw/zinc/93/18/20/939931820.db2.gz LABFDXVCAOHQQF-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268321343 940057652 /nfs/dbraw/zinc/05/76/52/940057652.db2.gz MOSMTUQYQRLZCE-CJNGLKHVSA-N 2 1 313.417 0.289 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001481941316 940190615 /nfs/dbraw/zinc/19/06/15/940190615.db2.gz QWBUUKBXIPMRMG-CRAIPNDOSA-N 2 1 321.465 0.853 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001268895989 940400265 /nfs/dbraw/zinc/40/02/65/940400265.db2.gz GZAWPRRPKDDRDZ-ZIAGYGMSSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001268895989 940400267 /nfs/dbraw/zinc/40/02/67/940400267.db2.gz GZAWPRRPKDDRDZ-ZIAGYGMSSA-N 2 1 322.453 0.067 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001318363666 945332826 /nfs/dbraw/zinc/33/28/26/945332826.db2.gz SAUHZCGXANINAX-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001318363666 945332831 /nfs/dbraw/zinc/33/28/31/945332831.db2.gz SAUHZCGXANINAX-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001269330672 940685149 /nfs/dbraw/zinc/68/51/49/940685149.db2.gz JVBZGFVDHPUKSO-JKSUJKDBSA-N 2 1 309.454 0.899 20 30 DCEDMP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001269330672 940685151 /nfs/dbraw/zinc/68/51/51/940685151.db2.gz JVBZGFVDHPUKSO-JKSUJKDBSA-N 2 1 309.454 0.899 20 30 DCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001284520117 940716597 /nfs/dbraw/zinc/71/65/97/940716597.db2.gz OKWFWHYMURSCTL-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001284520117 940716598 /nfs/dbraw/zinc/71/65/98/940716598.db2.gz OKWFWHYMURSCTL-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001284520117 940716600 /nfs/dbraw/zinc/71/66/00/940716600.db2.gz OKWFWHYMURSCTL-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001284520117 940716601 /nfs/dbraw/zinc/71/66/01/940716601.db2.gz OKWFWHYMURSCTL-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001271154112 941292911 /nfs/dbraw/zinc/29/29/11/941292911.db2.gz YKXQGEAPROPFFZ-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001271154112 941292913 /nfs/dbraw/zinc/29/29/13/941292913.db2.gz YKXQGEAPROPFFZ-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001271154112 941292917 /nfs/dbraw/zinc/29/29/17/941292917.db2.gz YKXQGEAPROPFFZ-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483650270 942624598 /nfs/dbraw/zinc/62/45/98/942624598.db2.gz DOXZBKPSHNFPJM-CVEARBPZSA-N 2 1 307.438 0.721 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001484059825 943121583 /nfs/dbraw/zinc/12/15/83/943121583.db2.gz ZZFPUKWJSDWRDL-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001484059825 943121588 /nfs/dbraw/zinc/12/15/88/943121588.db2.gz ZZFPUKWJSDWRDL-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484063069 943128956 /nfs/dbraw/zinc/12/89/56/943128956.db2.gz OBAPSSTZQKJHRC-KRWDZBQOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC1CCC1 ZINC001484484957 943425432 /nfs/dbraw/zinc/42/54/32/943425432.db2.gz QILKGMOFMDZQRC-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC1CCC1 ZINC001484484957 943425434 /nfs/dbraw/zinc/42/54/34/943425434.db2.gz QILKGMOFMDZQRC-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001484728695 943537820 /nfs/dbraw/zinc/53/78/20/943537820.db2.gz UHAZQRBVAIVSTI-HNNXBMFYSA-N 2 1 322.453 0.355 20 30 DCEDMP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001485018370 943656883 /nfs/dbraw/zinc/65/68/83/943656883.db2.gz FORNOYHOUATXBD-HNNXBMFYSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491126431 943772969 /nfs/dbraw/zinc/77/29/69/943772969.db2.gz XYRFDUVVELFIQT-MRXNPFEDSA-N 2 1 319.449 0.560 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001491486801 944035497 /nfs/dbraw/zinc/03/54/97/944035497.db2.gz PJIHFNIUWAEHGC-WBVHZDCISA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001491486801 944035505 /nfs/dbraw/zinc/03/55/05/944035505.db2.gz PJIHFNIUWAEHGC-WBVHZDCISA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCOCC)C1 ZINC001485686562 944080090 /nfs/dbraw/zinc/08/00/90/944080090.db2.gz YGQYKHOSHIZUIM-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCOCC)C1 ZINC001485686562 944080100 /nfs/dbraw/zinc/08/01/00/944080100.db2.gz YGQYKHOSHIZUIM-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001276467254 944182064 /nfs/dbraw/zinc/18/20/64/944182064.db2.gz ACWSMVNHEZMEIM-UONOGXRCSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001276467254 944182069 /nfs/dbraw/zinc/18/20/69/944182069.db2.gz ACWSMVNHEZMEIM-UONOGXRCSA-N 2 1 324.469 0.454 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001317015910 944741918 /nfs/dbraw/zinc/74/19/18/944741918.db2.gz JJSNOQFTFHIKPU-INIZCTEOSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001486302535 944748011 /nfs/dbraw/zinc/74/80/11/944748011.db2.gz DUHIRXXXZMOQEJ-CQSZACIVSA-N 2 1 306.410 0.439 20 30 DCEDMP N#CCC1CN(C(=O)[C@@]23C[C@@H]2C[N@@H+](CC2CC[NH2+]CC2)C3)C1 ZINC001277822817 944994868 /nfs/dbraw/zinc/99/48/68/944994868.db2.gz YHHWXTDNLOAOPR-NVXWUHKLSA-N 2 1 302.422 0.680 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001317512436 945010283 /nfs/dbraw/zinc/01/02/83/945010283.db2.gz LNXDXEKAOHQPEL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001317512436 945010292 /nfs/dbraw/zinc/01/02/92/945010292.db2.gz LNXDXEKAOHQPEL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001317512436 945010301 /nfs/dbraw/zinc/01/03/01/945010301.db2.gz LNXDXEKAOHQPEL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001317512436 945010310 /nfs/dbraw/zinc/01/03/10/945010310.db2.gz LNXDXEKAOHQPEL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC#CCOC)C2CC2)CC[N@H+]1C ZINC001317551284 945044893 /nfs/dbraw/zinc/04/48/93/945044893.db2.gz JKGGPYZHHAASET-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC#CCOC)C2CC2)CC[NH+]1C ZINC001317551284 945044902 /nfs/dbraw/zinc/04/49/02/945044902.db2.gz JKGGPYZHHAASET-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC#CCOC)C2CC2)CC[NH+]1C ZINC001317551284 945044913 /nfs/dbraw/zinc/04/49/13/945044913.db2.gz JKGGPYZHHAASET-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001246302821 945379901 /nfs/dbraw/zinc/37/99/01/945379901.db2.gz FTLNJQIVAPGHKT-ZNMIVQPWSA-N 2 1 323.437 0.956 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001318485570 945382037 /nfs/dbraw/zinc/38/20/37/945382037.db2.gz ROEJXBXBNJBQJS-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001318485570 945382046 /nfs/dbraw/zinc/38/20/46/945382046.db2.gz ROEJXBXBNJBQJS-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318485570 945382057 /nfs/dbraw/zinc/38/20/57/945382057.db2.gz ROEJXBXBNJBQJS-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001318525524 945394609 /nfs/dbraw/zinc/39/46/09/945394609.db2.gz XQXSUMWCCHAQRZ-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@H]1CCN[C@H](C#N)C1)CC[NH2+]CC2 ZINC001246611976 945443055 /nfs/dbraw/zinc/44/30/55/945443055.db2.gz VIEWJHBICXYJAV-SOUVJXGZSA-N 2 1 320.437 0.638 20 30 DCEDMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H]1CCN[C@H](C#N)C1)CC[NH2+]CC2 ZINC001246611976 945443065 /nfs/dbraw/zinc/44/30/65/945443065.db2.gz VIEWJHBICXYJAV-SOUVJXGZSA-N 2 1 320.437 0.638 20 30 DCEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001319549821 945618219 /nfs/dbraw/zinc/61/82/19/945618219.db2.gz QRDNXUVXEBCDKH-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC#Cc2ccccc2)C1 ZINC001320313796 945818202 /nfs/dbraw/zinc/81/82/02/945818202.db2.gz NPDJRVGIMXJLHP-IAGOWNOFSA-N 2 1 315.417 0.057 20 30 DCEDMP C=C[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253576640 946132904 /nfs/dbraw/zinc/13/29/04/946132904.db2.gz NGLMQDYJSWHWSK-OAHLLOKOSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001278860217 946491739 /nfs/dbraw/zinc/49/17/39/946491739.db2.gz RECYCJMNUKYXPJ-DLBZAZTESA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001278860217 946491745 /nfs/dbraw/zinc/49/17/45/946491745.db2.gz RECYCJMNUKYXPJ-DLBZAZTESA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001278860217 946491751 /nfs/dbraw/zinc/49/17/51/946491751.db2.gz RECYCJMNUKYXPJ-DLBZAZTESA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CCOC ZINC001279045376 946766528 /nfs/dbraw/zinc/76/65/28/946766528.db2.gz VVGMNRZCCRQHCE-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CCOC ZINC001279045376 946766534 /nfs/dbraw/zinc/76/65/34/946766534.db2.gz VVGMNRZCCRQHCE-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001323748477 947189976 /nfs/dbraw/zinc/18/99/76/947189976.db2.gz JHCBLHFJROVVRV-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](CCOC)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001323748477 947189980 /nfs/dbraw/zinc/18/99/80/947189980.db2.gz JHCBLHFJROVVRV-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](CCOC)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001323748477 947189984 /nfs/dbraw/zinc/18/99/84/947189984.db2.gz JHCBLHFJROVVRV-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC(=O)NC)CC1 ZINC001324414368 947421725 /nfs/dbraw/zinc/42/17/25/947421725.db2.gz WUBCEZRXONHHRF-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=C(Cl)CN(C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001411172458 947438051 /nfs/dbraw/zinc/43/80/51/947438051.db2.gz WVCBMRIOHCWJOD-CQSZACIVSA-N 2 1 317.861 0.974 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001324974545 947594820 /nfs/dbraw/zinc/59/48/20/947594820.db2.gz BCURXKWWMJEZDO-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001324974545 947594842 /nfs/dbraw/zinc/59/48/42/947594842.db2.gz BCURXKWWMJEZDO-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001324974545 947594850 /nfs/dbraw/zinc/59/48/50/947594850.db2.gz BCURXKWWMJEZDO-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001324974545 947594854 /nfs/dbraw/zinc/59/48/54/947594854.db2.gz BCURXKWWMJEZDO-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001325100392 947651139 /nfs/dbraw/zinc/65/11/39/947651139.db2.gz ADPZROYSDADPMD-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001325100392 947651151 /nfs/dbraw/zinc/65/11/51/947651151.db2.gz ADPZROYSDADPMD-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001325160012 947686515 /nfs/dbraw/zinc/68/65/15/947686515.db2.gz IVUSYOYPFGMESV-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179538690 947865214 /nfs/dbraw/zinc/86/52/14/947865214.db2.gz GVXGVOQLXHFCPX-KKUMJFAQSA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001273515221 947935691 /nfs/dbraw/zinc/93/56/91/947935691.db2.gz SQWBQABHAOHQBF-QGZVFWFLSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001493127783 948561362 /nfs/dbraw/zinc/56/13/62/948561362.db2.gz GCWHDSIILVRNFL-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001493127783 948561368 /nfs/dbraw/zinc/56/13/68/948561368.db2.gz GCWHDSIILVRNFL-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001493127783 948561371 /nfs/dbraw/zinc/56/13/71/948561371.db2.gz GCWHDSIILVRNFL-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001273909820 948674854 /nfs/dbraw/zinc/67/48/54/948674854.db2.gz BIDLJWHDGSVUMG-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001273910156 948675333 /nfs/dbraw/zinc/67/53/33/948675333.db2.gz DYTQLPRVFKAMEX-GOSISDBHSA-N 2 1 323.481 0.931 20 30 DCEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001263836816 948772693 /nfs/dbraw/zinc/77/26/93/948772693.db2.gz LSZPITBNZGOWKW-BETUJISGSA-N 2 1 304.394 0.858 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264079889 948870986 /nfs/dbraw/zinc/87/09/86/948870986.db2.gz AUVGDJAZIYCNFP-MRXNPFEDSA-N 2 1 319.449 0.391 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264429211 948973602 /nfs/dbraw/zinc/97/36/02/948973602.db2.gz JNZALESVDOJGPL-KKUMJFAQSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001328673006 949018663 /nfs/dbraw/zinc/01/86/63/949018663.db2.gz VXSYFLVILSEPHV-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001264631828 949042780 /nfs/dbraw/zinc/04/27/80/949042780.db2.gz CBYPWPGXDZOOJD-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001264631828 949042801 /nfs/dbraw/zinc/04/28/01/949042801.db2.gz CBYPWPGXDZOOJD-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001264631828 949042818 /nfs/dbraw/zinc/04/28/18/949042818.db2.gz CBYPWPGXDZOOJD-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C=C(C)CN1CC[NH+](CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001265252832 949494097 /nfs/dbraw/zinc/49/40/97/949494097.db2.gz DFWOZDBJPSNXIS-UHFFFAOYSA-N 2 1 320.481 0.782 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001265357292 949625163 /nfs/dbraw/zinc/62/51/63/949625163.db2.gz XTDPGRWSAQPBIU-FVQBIDKESA-N 2 1 307.438 0.461 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001265505109 949732713 /nfs/dbraw/zinc/73/27/13/949732713.db2.gz VZWAWEUKTFOOMF-RBSFLKMASA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001265663885 949859278 /nfs/dbraw/zinc/85/92/78/949859278.db2.gz MVEQVGJZSYCOMP-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CCN1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001330072232 950105742 /nfs/dbraw/zinc/10/57/42/950105742.db2.gz RZWRNBMHUQUUPF-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001330072232 950105749 /nfs/dbraw/zinc/10/57/49/950105749.db2.gz RZWRNBMHUQUUPF-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001330072232 950105761 /nfs/dbraw/zinc/10/57/61/950105761.db2.gz RZWRNBMHUQUUPF-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001265905268 950121723 /nfs/dbraw/zinc/12/17/23/950121723.db2.gz HBSFJXWXLBTPKD-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001330275920 950243762 /nfs/dbraw/zinc/24/37/62/950243762.db2.gz MIVBEOHVAFWZAF-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001330275920 950243745 /nfs/dbraw/zinc/24/37/45/950243745.db2.gz MIVBEOHVAFWZAF-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001330275920 950243780 /nfs/dbraw/zinc/24/37/80/950243780.db2.gz MIVBEOHVAFWZAF-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001279810161 950704410 /nfs/dbraw/zinc/70/44/10/950704410.db2.gz OPXLARPAVIIQDI-HNNXBMFYSA-N 2 1 320.437 0.741 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001490775304 951098549 /nfs/dbraw/zinc/09/85/49/951098549.db2.gz ARYNDZYMUOJLFY-KRWDZBQOSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001332280770 951561611 /nfs/dbraw/zinc/56/16/11/951561611.db2.gz KLSIIIWDADONJB-OLZOCXBDSA-N 2 1 304.394 0.858 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC001281722157 951609568 /nfs/dbraw/zinc/60/95/68/951609568.db2.gz PAKLDBXYECXZNQ-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC001281722157 951609570 /nfs/dbraw/zinc/60/95/70/951609570.db2.gz PAKLDBXYECXZNQ-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC001343390983 953343543 /nfs/dbraw/zinc/34/35/43/953343543.db2.gz BILSNHUNVVQWIV-HNNXBMFYSA-N 2 1 324.469 0.777 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001346670764 953940086 /nfs/dbraw/zinc/94/00/86/953940086.db2.gz CUVVPCYIEVYXOY-FVQBIDKESA-N 2 1 304.438 0.723 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001480109733 955486681 /nfs/dbraw/zinc/48/66/81/955486681.db2.gz NLCGILVAVZIKGB-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)C1 ZINC001354233803 956323007 /nfs/dbraw/zinc/32/30/07/956323007.db2.gz LRACHDGYTISBHI-FXUDXRNXSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C1 ZINC001354233803 956323019 /nfs/dbraw/zinc/32/30/19/956323019.db2.gz LRACHDGYTISBHI-FXUDXRNXSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)C1 ZINC001354233803 956323028 /nfs/dbraw/zinc/32/30/28/956323028.db2.gz LRACHDGYTISBHI-FXUDXRNXSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@H]23)C1 ZINC001354233803 956323041 /nfs/dbraw/zinc/32/30/41/956323041.db2.gz LRACHDGYTISBHI-FXUDXRNXSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@H]23)C1 ZINC001354233803 956323053 /nfs/dbraw/zinc/32/30/53/956323053.db2.gz LRACHDGYTISBHI-FXUDXRNXSA-N 2 1 304.438 0.723 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001491578355 958873975 /nfs/dbraw/zinc/87/39/75/958873975.db2.gz CULBRYUXXKPNCT-UKRRQHHQSA-N 2 1 318.421 0.498 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001376871014 959026065 /nfs/dbraw/zinc/02/60/65/959026065.db2.gz ZEHCFWKSVUMAIV-QWHCGFSZSA-N 2 1 301.818 0.508 20 30 DCEDMP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491675281 959117306 /nfs/dbraw/zinc/11/73/06/959117306.db2.gz ZAVJYBDXHROFCG-MNOVXSKESA-N 2 1 304.232 0.941 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001495870336 959204217 /nfs/dbraw/zinc/20/42/17/959204217.db2.gz IVNLWDMNRYZHKC-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001495870336 959204231 /nfs/dbraw/zinc/20/42/31/959204231.db2.gz IVNLWDMNRYZHKC-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379365011 962740059 /nfs/dbraw/zinc/74/00/59/962740059.db2.gz CQVWQXMLBAWPPN-HOTGVXAUSA-N 2 1 316.405 0.219 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379365011 962740069 /nfs/dbraw/zinc/74/00/69/962740069.db2.gz CQVWQXMLBAWPPN-HOTGVXAUSA-N 2 1 316.405 0.219 20 30 DCEDMP C=C(Cl)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001379408835 962855617 /nfs/dbraw/zinc/85/56/17/962855617.db2.gz VCYIDDBGWHAVAD-STQMWFEESA-N 2 1 303.834 0.678 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001379408835 962855625 /nfs/dbraw/zinc/85/56/25/962855625.db2.gz VCYIDDBGWHAVAD-STQMWFEESA-N 2 1 303.834 0.678 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001379526437 963129932 /nfs/dbraw/zinc/12/99/32/963129932.db2.gz QJHGBKZXEIRTFQ-INIZCTEOSA-N 2 1 318.421 0.465 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394577943 993857562 /nfs/dbraw/zinc/85/75/62/993857562.db2.gz KKTSKZRLBHYMEI-HOTGVXAUSA-N 2 1 316.405 0.219 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C/C=C\Cl ZINC001507484966 1016397955 /nfs/dbraw/zinc/39/79/55/1016397955.db2.gz NXPUBYFFYBCRBM-XVMAMZMSSA-N 2 1 313.829 0.245 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C/C=C\Cl ZINC001507484966 1016397966 /nfs/dbraw/zinc/39/79/66/1016397966.db2.gz NXPUBYFFYBCRBM-XVMAMZMSSA-N 2 1 313.829 0.245 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001402265498 1001155392 /nfs/dbraw/zinc/15/53/92/1001155392.db2.gz IASAJUFHAYXZCK-DZGCQCFKSA-N 2 1 317.861 0.878 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001402265498 1001155395 /nfs/dbraw/zinc/15/53/95/1001155395.db2.gz IASAJUFHAYXZCK-DZGCQCFKSA-N 2 1 317.861 0.878 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C(C)(C)C ZINC001508034065 1016618193 /nfs/dbraw/zinc/61/81/93/1016618193.db2.gz WJXFZDYPPZPLLT-OAHLLOKOSA-N 2 1 309.454 0.853 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001421837918 1009152241 /nfs/dbraw/zinc/15/22/41/1009152241.db2.gz ZBHSTSPJXPVATE-ZDUSSCGKSA-N 2 1 312.801 0.761 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001479709056 1017666838 /nfs/dbraw/zinc/66/68/38/1017666838.db2.gz DQFMRDWZFXAQRA-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001479942235 1018013755 /nfs/dbraw/zinc/01/37/55/1018013755.db2.gz NDEOAQCOAXCOEA-HOTGVXAUSA-N 2 1 306.454 0.226 20 30 DCEDMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001479963378 1018057983 /nfs/dbraw/zinc/05/79/83/1018057983.db2.gz BQMWXCZAADMVBO-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001479963378 1018057987 /nfs/dbraw/zinc/05/79/87/1018057987.db2.gz BQMWXCZAADMVBO-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCOCC)C2)CC1 ZINC001479971533 1018077102 /nfs/dbraw/zinc/07/71/02/1018077102.db2.gz BXKFXSZKLHJJFQ-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001497393604 1018107707 /nfs/dbraw/zinc/10/77/07/1018107707.db2.gz JESKBCCUQUUQLI-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC#CCOC)C2CC2)CC[N@H+]1C ZINC001480019953 1018128973 /nfs/dbraw/zinc/12/89/73/1018128973.db2.gz CCAZWPOHKLTGRF-YESZJQIVSA-N 2 1 321.465 0.851 20 30 DCEDMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCO)CC1 ZINC001500054608 1018190383 /nfs/dbraw/zinc/19/03/83/1018190383.db2.gz RUJZFJDBNBJJTI-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001500057538 1018193242 /nfs/dbraw/zinc/19/32/42/1018193242.db2.gz ITABNIWYIVSWAK-HUUCEWRRSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001500057536 1018193751 /nfs/dbraw/zinc/19/37/51/1018193751.db2.gz ITABNIWYIVSWAK-CABCVRRESA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cnn(C)c1 ZINC001495002200 1018227090 /nfs/dbraw/zinc/22/70/90/1018227090.db2.gz IKXBFALSKUWUEH-CVEARBPZSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cnn(C)c1 ZINC001495002200 1018227100 /nfs/dbraw/zinc/22/71/00/1018227100.db2.gz IKXBFALSKUWUEH-CVEARBPZSA-N 2 1 317.437 0.502 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500253617 1018352201 /nfs/dbraw/zinc/35/22/01/1018352201.db2.gz IWCLHEXBDUXZLV-INIZCTEOSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500253617 1018352217 /nfs/dbraw/zinc/35/22/17/1018352217.db2.gz IWCLHEXBDUXZLV-INIZCTEOSA-N 2 1 322.453 0.211 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480277740 1018396889 /nfs/dbraw/zinc/39/68/89/1018396889.db2.gz CGHKLXPFCOFWHH-UONOGXRCSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480277740 1018396901 /nfs/dbraw/zinc/39/69/01/1018396901.db2.gz CGHKLXPFCOFWHH-UONOGXRCSA-N 2 1 315.845 0.898 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC#CCOC ZINC001480364943 1018466709 /nfs/dbraw/zinc/46/67/09/1018466709.db2.gz KALQNQADYPHHPF-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CCCOC)CC1 ZINC001498455859 1019135974 /nfs/dbraw/zinc/13/59/74/1019135974.db2.gz KWNXHDJLMJJODO-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC#CCOC ZINC001493150942 1019145573 /nfs/dbraw/zinc/14/55/73/1019145573.db2.gz HCNJZARCCSEAGA-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC#CCOC ZINC001493150942 1019145575 /nfs/dbraw/zinc/14/55/75/1019145575.db2.gz HCNJZARCCSEAGA-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC#CCOC ZINC001493150942 1019145578 /nfs/dbraw/zinc/14/55/78/1019145578.db2.gz HCNJZARCCSEAGA-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493211628 1019210005 /nfs/dbraw/zinc/21/00/05/1019210005.db2.gz RRTDGLOIEHSHLM-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001493211628 1019210014 /nfs/dbraw/zinc/21/00/14/1019210014.db2.gz RRTDGLOIEHSHLM-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001493211628 1019210021 /nfs/dbraw/zinc/21/00/21/1019210021.db2.gz RRTDGLOIEHSHLM-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001502044116 1019653671 /nfs/dbraw/zinc/65/36/71/1019653671.db2.gz TWJQUCMFNBHGLE-QWHCGFSZSA-N 2 1 301.818 0.650 20 30 DCEDMP COCC#CC[N@H+](C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001502354754 1019827483 /nfs/dbraw/zinc/82/74/83/1019827483.db2.gz HWCHCZNFWNPQOC-UHFFFAOYSA-N 2 1 306.410 0.622 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001502354754 1019827501 /nfs/dbraw/zinc/82/75/01/1019827501.db2.gz HWCHCZNFWNPQOC-UHFFFAOYSA-N 2 1 306.410 0.622 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001494327139 1020131135 /nfs/dbraw/zinc/13/11/35/1020131135.db2.gz SVVOPLHNCRLOIV-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)NCC#N)CC2)C[C@@H](C)O1 ZINC000177484959 237213935 /nfs/dbraw/zinc/21/39/35/237213935.db2.gz PKEVWKJHGVGZBB-HUUCEWRRSA-N 2 1 322.453 0.837 20 30 DCEDMP CCn1cnnc1CNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261995393 238169998 /nfs/dbraw/zinc/16/99/98/238169998.db2.gz SGILYVPRYOTNQX-DGCLKSJQSA-N 2 1 305.430 0.446 20 30 DCEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1C[N@@H+](C)CCN1C ZINC000262511795 238175662 /nfs/dbraw/zinc/17/56/62/238175662.db2.gz DMCLJYWGSUKOMP-INIZCTEOSA-N 2 1 303.454 0.940 20 30 DCEDMP C[C@@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)N1 ZINC000262642852 238177800 /nfs/dbraw/zinc/17/78/00/238177800.db2.gz IDXNNDPXZWHSSL-CQSZACIVSA-N 2 1 301.438 0.871 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1COc2ccccc21 ZINC000274028539 238293726 /nfs/dbraw/zinc/29/37/26/238293726.db2.gz MFQBGGIVCQXMMP-AWEZNQCLSA-N 2 1 304.394 0.747 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000491820371 533101280 /nfs/dbraw/zinc/10/12/80/533101280.db2.gz REQWNHKGIUOXHE-UHFFFAOYSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000491818471 533103863 /nfs/dbraw/zinc/10/38/63/533103863.db2.gz LIHZAJWDBYEVSK-UHFFFAOYSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580184635 396491568 /nfs/dbraw/zinc/49/15/68/396491568.db2.gz LXGOQLZHIRYVEC-AWEZNQCLSA-N 2 1 309.370 0.392 20 30 DCEDMP CN(CCC#N)C(=O)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000611302773 396852147 /nfs/dbraw/zinc/85/21/47/396852147.db2.gz ZWUMPOVQVNEQJT-INIZCTEOSA-N 2 1 321.469 0.460 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000491667362 416611141 /nfs/dbraw/zinc/61/11/41/416611141.db2.gz XROSJGMRTDHRKP-UHFFFAOYSA-N 2 1 316.405 0.416 20 30 DCEDMP C#CCNC(=O)CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000491154084 416586383 /nfs/dbraw/zinc/58/63/83/416586383.db2.gz GSWZJEQJLSWICN-CALCHBBNSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000491738483 416622333 /nfs/dbraw/zinc/62/23/33/416622333.db2.gz FQBVWPRWUJOBRL-UHFFFAOYSA-N 2 1 315.417 0.748 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652349559 417889121 /nfs/dbraw/zinc/88/91/21/417889121.db2.gz SNMPVNRBVGYLMF-FZKCQIBNSA-N 2 1 307.438 0.992 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650852625 418329255 /nfs/dbraw/zinc/32/92/55/418329255.db2.gz LUWYVECGNHIZHN-OAHLLOKOSA-N 2 1 308.426 0.097 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650852625 418329258 /nfs/dbraw/zinc/32/92/58/418329258.db2.gz LUWYVECGNHIZHN-OAHLLOKOSA-N 2 1 308.426 0.097 20 30 DCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262535940 277102258 /nfs/dbraw/zinc/10/22/58/277102258.db2.gz PNXQJSRFEZMFFH-HIFRSBDPSA-N 2 1 317.437 0.660 20 30 DCEDMP CC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330222812 336126378 /nfs/dbraw/zinc/12/63/78/336126378.db2.gz MUEANUSYZCIHNG-HZPDHXFCSA-N 2 1 324.469 0.916 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000303778040 340346136 /nfs/dbraw/zinc/34/61/36/340346136.db2.gz JHGBTABSAFOIPS-LBPRGKRZSA-N 2 1 313.446 0.900 20 30 DCEDMP C=CCN1CC[NH+](CCCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001566640995 1160107445 /nfs/dbraw/zinc/10/74/45/1160107445.db2.gz ZQOIXRSUOCTXFR-UHFFFAOYSA-N 2 1 308.470 0.781 20 30 DCEDMP C[NH+]=C(NCCn1cccn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179076977 526368114 /nfs/dbraw/zinc/36/81/14/526368114.db2.gz BGQBBSAFUAFEDY-OAHLLOKOSA-N 2 1 320.441 0.113 20 30 DCEDMP C[NH+]=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000264096071 526376509 /nfs/dbraw/zinc/37/65/09/526376509.db2.gz XPNCPMXCXLJHMT-INIZCTEOSA-N 2 1 302.422 0.733 20 30 DCEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)NC1CC1 ZINC000264068489 526384894 /nfs/dbraw/zinc/38/48/94/526384894.db2.gz RHAYJFLCCKRRKG-UHFFFAOYSA-N 2 1 302.426 0.661 20 30 DCEDMP C=CCNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264105498 526387738 /nfs/dbraw/zinc/38/77/38/526387738.db2.gz PHVHNCZYTVJSDD-UHFFFAOYSA-N 2 1 302.426 0.684 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@]2(CCOC2)C1 ZINC000261932454 528810751 /nfs/dbraw/zinc/81/07/51/528810751.db2.gz BQEWJSNLYBALKV-WBVHZDCISA-N 2 1 323.485 0.310 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)[C@H]1CCC[NH+]1C ZINC000329103051 546043717 /nfs/dbraw/zinc/04/37/17/546043717.db2.gz NMUMFSGNRSRPRY-HZSPNIEDSA-N 2 1 310.442 0.978 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000329103051 546043720 /nfs/dbraw/zinc/04/37/20/546043720.db2.gz NMUMFSGNRSRPRY-HZSPNIEDSA-N 2 1 310.442 0.978 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000329103051 546043721 /nfs/dbraw/zinc/04/37/21/546043721.db2.gz NMUMFSGNRSRPRY-HZSPNIEDSA-N 2 1 310.442 0.978 20 30 DCEDMP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC#C)CC1 ZINC001671492388 1175015603 /nfs/dbraw/zinc/01/56/03/1175015603.db2.gz YBDKYTUALKYEIL-MRXNPFEDSA-N 2 1 301.434 0.888 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978834807 660614214 /nfs/dbraw/zinc/61/42/14/660614214.db2.gz BGEODPQNGVHCHV-PHZGNYQRSA-N 2 1 317.437 0.538 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000978897967 660625255 /nfs/dbraw/zinc/62/52/55/660625255.db2.gz ZWQNQKXWYWEOQL-OSYLJGHBSA-N 2 1 321.384 0.808 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000978897967 660625256 /nfs/dbraw/zinc/62/52/56/660625256.db2.gz ZWQNQKXWYWEOQL-OSYLJGHBSA-N 2 1 321.384 0.808 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772013 661214215 /nfs/dbraw/zinc/21/42/15/661214215.db2.gz JOIQQMYRBJHRAW-INIZCTEOSA-N 2 1 301.434 0.886 20 30 DCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023550905 657978247 /nfs/dbraw/zinc/97/82/47/657978247.db2.gz PPJWYYOOUVPEJT-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550905 657978251 /nfs/dbraw/zinc/97/82/51/657978251.db2.gz PPJWYYOOUVPEJT-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550905 657978255 /nfs/dbraw/zinc/97/82/55/657978255.db2.gz PPJWYYOOUVPEJT-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972673510 658225298 /nfs/dbraw/zinc/22/52/98/658225298.db2.gz JQZNLDZMOZXFJC-QGZVFWFLSA-N 2 1 305.422 0.409 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972673510 658225303 /nfs/dbraw/zinc/22/53/03/658225303.db2.gz JQZNLDZMOZXFJC-QGZVFWFLSA-N 2 1 305.422 0.409 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001022721708 658385796 /nfs/dbraw/zinc/38/57/96/658385796.db2.gz XESCGVPYOMRQJS-BETUJISGSA-N 2 1 302.378 0.754 20 30 DCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972337767 658586134 /nfs/dbraw/zinc/58/61/34/658586134.db2.gz CJZIQNOLNVPGAI-GJZGRUSLSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972337767 658586140 /nfs/dbraw/zinc/58/61/40/658586140.db2.gz CJZIQNOLNVPGAI-GJZGRUSLSA-N 2 1 300.406 0.920 20 30 DCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970192192 658720874 /nfs/dbraw/zinc/72/08/74/658720874.db2.gz YDEWCYMDJWKCRL-RXAYYZCOSA-N 2 1 305.422 0.472 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999351166 665634022 /nfs/dbraw/zinc/63/40/22/665634022.db2.gz DDERXRXLRFKJRI-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001026378465 659260340 /nfs/dbraw/zinc/26/03/40/659260340.db2.gz XOPBIYNRYQNTRB-HRCADAONSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001026530096 659382702 /nfs/dbraw/zinc/38/27/02/659382702.db2.gz DKWNNIVBZYGRCN-QFQXCOSMSA-N 2 1 317.433 0.500 20 30 DCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001026549614 659389643 /nfs/dbraw/zinc/38/96/43/659389643.db2.gz YTZAHXRHHHFJDF-UYSNPLJNSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001026549614 659389647 /nfs/dbraw/zinc/38/96/47/659389647.db2.gz YTZAHXRHHHFJDF-UYSNPLJNSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](CC)OC)C[C@H]21 ZINC001025814031 659575496 /nfs/dbraw/zinc/57/54/96/659575496.db2.gz DXDVZUBPNKJZIU-ZOFXXKQRSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](CC)OC)C[C@H]21 ZINC001025814031 659575501 /nfs/dbraw/zinc/57/55/01/659575501.db2.gz DXDVZUBPNKJZIU-ZOFXXKQRSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](CC)OC)C[C@H]21 ZINC001025814031 659575504 /nfs/dbraw/zinc/57/55/04/659575504.db2.gz DXDVZUBPNKJZIU-ZOFXXKQRSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](CC)OC)C[C@H]21 ZINC001025814031 659575506 /nfs/dbraw/zinc/57/55/06/659575506.db2.gz DXDVZUBPNKJZIU-ZOFXXKQRSA-N 2 1 319.449 0.555 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982158289 661299810 /nfs/dbraw/zinc/29/98/10/661299810.db2.gz JJANQGIPFVLXCA-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982158289 661299813 /nfs/dbraw/zinc/29/98/13/661299813.db2.gz JJANQGIPFVLXCA-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158289 661299815 /nfs/dbraw/zinc/29/98/15/661299815.db2.gz JJANQGIPFVLXCA-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158289 661299817 /nfs/dbraw/zinc/29/98/17/661299817.db2.gz JJANQGIPFVLXCA-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982736594 661639053 /nfs/dbraw/zinc/63/90/53/661639053.db2.gz PVEWTCWYIDDCTB-CALCHBBNSA-N 2 1 301.434 0.886 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831577 665857563 /nfs/dbraw/zinc/85/75/63/665857563.db2.gz NZWNZZRDHXYJLL-OAGGEKHMSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831577 665857567 /nfs/dbraw/zinc/85/75/67/665857567.db2.gz NZWNZZRDHXYJLL-OAGGEKHMSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831577 665857570 /nfs/dbraw/zinc/85/75/70/665857570.db2.gz NZWNZZRDHXYJLL-OAGGEKHMSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831577 665857573 /nfs/dbraw/zinc/85/75/73/665857573.db2.gz NZWNZZRDHXYJLL-OAGGEKHMSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940808048 665851131 /nfs/dbraw/zinc/85/11/31/665851131.db2.gz YBTWIVKKLCFTKX-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940808048 665851134 /nfs/dbraw/zinc/85/11/34/665851134.db2.gz YBTWIVKKLCFTKX-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940808048 665851137 /nfs/dbraw/zinc/85/11/37/665851137.db2.gz YBTWIVKKLCFTKX-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000940808048 665851140 /nfs/dbraw/zinc/85/11/40/665851140.db2.gz YBTWIVKKLCFTKX-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000940808048 665851142 /nfs/dbraw/zinc/85/11/42/665851142.db2.gz YBTWIVKKLCFTKX-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000985491068 662466706 /nfs/dbraw/zinc/46/67/06/662466706.db2.gz ACAGUGKKJDVJQP-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000986569461 662600723 /nfs/dbraw/zinc/60/07/23/662600723.db2.gz LRRWXIZFZWKZGE-UONOGXRCSA-N 2 1 300.406 0.974 20 30 DCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031931176 665939907 /nfs/dbraw/zinc/93/99/07/665939907.db2.gz GDMDGLOSPWAJPF-HNNXBMFYSA-N 2 1 300.406 0.825 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000900645929 663269345 /nfs/dbraw/zinc/26/93/45/663269345.db2.gz YFBIBXYQKMRKML-UHFFFAOYSA-N 2 1 310.442 0.163 20 30 DCEDMP CCO[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C[NH+](C)C ZINC000905580549 663566770 /nfs/dbraw/zinc/56/67/70/663566770.db2.gz OLAWZHWYLZFRAZ-GJZGRUSLSA-N 2 1 313.442 0.614 20 30 DCEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000170912698 664595231 /nfs/dbraw/zinc/59/52/31/664595231.db2.gz UDFRWYRCEMZTSU-UHFFFAOYSA-N 2 1 317.437 0.298 20 30 DCEDMP C#CCN(C(=O)NCC[N@H+](C)CCCOC)C1CC[NH+](C)CC1 ZINC000920417234 665270284 /nfs/dbraw/zinc/27/02/84/665270284.db2.gz KGBBSZDCEIMWHJ-UHFFFAOYSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997723413 665327896 /nfs/dbraw/zinc/32/78/96/665327896.db2.gz AAASSDPNWCWBEO-RDJZCZTQSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997723413 665327899 /nfs/dbraw/zinc/32/78/99/665327899.db2.gz AAASSDPNWCWBEO-RDJZCZTQSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001426892 666050750 /nfs/dbraw/zinc/05/07/50/666050750.db2.gz XVMKYRPFWNMAGZ-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001532289 666068460 /nfs/dbraw/zinc/06/84/60/666068460.db2.gz LQFGEBGTXNPRDK-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083963 666497252 /nfs/dbraw/zinc/49/72/52/666497252.db2.gz CRPJRNVIOMQBCQ-OAHLLOKOSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033280058 666659939 /nfs/dbraw/zinc/65/99/39/666659939.db2.gz ZVFACSLYXBREGT-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033280058 666659941 /nfs/dbraw/zinc/65/99/41/666659941.db2.gz ZVFACSLYXBREGT-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033280058 666659943 /nfs/dbraw/zinc/65/99/43/666659943.db2.gz ZVFACSLYXBREGT-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000996814484 666923069 /nfs/dbraw/zinc/92/30/69/666923069.db2.gz VVLYEDHGVWUEKW-GNHJJJEISA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034436588 667025797 /nfs/dbraw/zinc/02/57/97/667025797.db2.gz SKHBHXHJBSFOGA-INIZCTEOSA-N 2 1 317.437 0.662 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035371405 667309425 /nfs/dbraw/zinc/30/94/25/667309425.db2.gz SRTHTFYHZNCNGC-CVEARBPZSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035371405 667309426 /nfs/dbraw/zinc/30/94/26/667309426.db2.gz SRTHTFYHZNCNGC-CVEARBPZSA-N 2 1 307.438 0.721 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035423397 667329370 /nfs/dbraw/zinc/32/93/70/667329370.db2.gz MIQZVVWGFHBBMS-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001035423397 667329373 /nfs/dbraw/zinc/32/93/73/667329373.db2.gz MIQZVVWGFHBBMS-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001035423397 667329376 /nfs/dbraw/zinc/32/93/76/667329376.db2.gz MIQZVVWGFHBBMS-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001035423397 667329382 /nfs/dbraw/zinc/32/93/82/667329382.db2.gz MIQZVVWGFHBBMS-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)CC2 ZINC001035854031 667414558 /nfs/dbraw/zinc/41/45/58/667414558.db2.gz VLXNFZNAVCQYIJ-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035854031 667414559 /nfs/dbraw/zinc/41/45/59/667414559.db2.gz VLXNFZNAVCQYIJ-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000890378132 668124695 /nfs/dbraw/zinc/12/46/95/668124695.db2.gz VNQWEEBGGROQCS-MRXNPFEDSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000890378132 668124697 /nfs/dbraw/zinc/12/46/97/668124697.db2.gz VNQWEEBGGROQCS-MRXNPFEDSA-N 2 1 304.438 0.821 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000876709548 668493383 /nfs/dbraw/zinc/49/33/83/668493383.db2.gz USIXBWPSIMFTPG-STQMWFEESA-N 2 1 301.818 0.780 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000766973913 668555649 /nfs/dbraw/zinc/55/56/49/668555649.db2.gz NGJIBSPTRHVHMG-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000778943823 668906188 /nfs/dbraw/zinc/90/61/88/668906188.db2.gz CQVLMWQLFAMRPI-UHFFFAOYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC1([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCC1 ZINC000933304237 669481477 /nfs/dbraw/zinc/48/14/77/669481477.db2.gz IVPPNODHJLIMOQ-MRXNPFEDSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#C)[C@H](C)C2)CC1 ZINC000948070192 670053539 /nfs/dbraw/zinc/05/35/39/670053539.db2.gz NNTUHTKZBJWUDA-WBVHZDCISA-N 2 1 301.434 0.934 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001691492601 1157958687 /nfs/dbraw/zinc/95/86/87/1157958687.db2.gz XBXQJMOJKBQQTH-KKUMJFAQSA-N 2 1 311.426 0.004 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001691492601 1157958692 /nfs/dbraw/zinc/95/86/92/1157958692.db2.gz XBXQJMOJKBQQTH-KKUMJFAQSA-N 2 1 311.426 0.004 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841807 670214798 /nfs/dbraw/zinc/21/47/98/670214798.db2.gz FFBBBYJDOYKVGH-CVEARBPZSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841807 670214802 /nfs/dbraw/zinc/21/48/02/670214802.db2.gz FFBBBYJDOYKVGH-CVEARBPZSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[C@@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000854541713 670584211 /nfs/dbraw/zinc/58/42/11/670584211.db2.gz KETSAUGQTFYIPQ-INIZCTEOSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001020250928 693745543 /nfs/dbraw/zinc/74/55/43/693745543.db2.gz WUPVFUYOWAZQID-QAETUUGQSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001020250928 693745546 /nfs/dbraw/zinc/74/55/46/693745546.db2.gz WUPVFUYOWAZQID-QAETUUGQSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001672686410 1158726042 /nfs/dbraw/zinc/72/60/42/1158726042.db2.gz POWVDWXKUHAYJO-INIZCTEOSA-N 2 1 309.454 0.683 20 30 DCEDMP COc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000303704315 685206335 /nfs/dbraw/zinc/20/63/35/685206335.db2.gz KAUJVKPNXSJCNS-UHFFFAOYSA-N 2 1 306.410 0.822 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958201440 687431305 /nfs/dbraw/zinc/43/13/05/687431305.db2.gz ZHMHCESVHJBPQU-SWLSCSKDSA-N 2 1 322.409 0.335 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958201440 687431309 /nfs/dbraw/zinc/43/13/09/687431309.db2.gz ZHMHCESVHJBPQU-SWLSCSKDSA-N 2 1 322.409 0.335 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214371 687446601 /nfs/dbraw/zinc/44/66/01/687446601.db2.gz GNSVWRBWFPGBQA-GJZGRUSLSA-N 2 1 305.422 0.047 20 30 DCEDMP C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375366 687598837 /nfs/dbraw/zinc/59/88/37/687598837.db2.gz SXQIERCDYAELKH-KBPBESRZSA-N 2 1 315.845 0.490 20 30 DCEDMP C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375366 687598840 /nfs/dbraw/zinc/59/88/40/687598840.db2.gz SXQIERCDYAELKH-KBPBESRZSA-N 2 1 315.845 0.490 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958597750 687785110 /nfs/dbraw/zinc/78/51/10/687785110.db2.gz FVICCEDMCQNCBB-CZUORRHYSA-N 2 1 318.421 0.746 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958597750 687785115 /nfs/dbraw/zinc/78/51/15/687785115.db2.gz FVICCEDMCQNCBB-CZUORRHYSA-N 2 1 318.421 0.746 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCCC)C[C@H]2O)CC1 ZINC000958724575 687876417 /nfs/dbraw/zinc/87/64/17/687876417.db2.gz QHCZXVXILMLHGD-DLBZAZTESA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCCC)C[C@@H]2O)CC1 ZINC000958724577 687877610 /nfs/dbraw/zinc/87/76/10/687877610.db2.gz QHCZXVXILMLHGD-IRXDYDNUSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)OC)C[C@H]32)CC1 ZINC000962780423 688978639 /nfs/dbraw/zinc/97/86/39/688978639.db2.gz SKFRAJPLAMXCLJ-SIXLDLHFSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968408908 690255321 /nfs/dbraw/zinc/25/53/21/690255321.db2.gz HLTURZDLSIWZME-HOCLYGCPSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968408908 690255323 /nfs/dbraw/zinc/25/53/23/690255323.db2.gz HLTURZDLSIWZME-HOCLYGCPSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000968954802 690434049 /nfs/dbraw/zinc/43/40/49/690434049.db2.gz SALGBEYRQFSXBR-HIFRSBDPSA-N 2 1 318.446 0.931 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000968954802 690434054 /nfs/dbraw/zinc/43/40/54/690434054.db2.gz SALGBEYRQFSXBR-HIFRSBDPSA-N 2 1 318.446 0.931 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001009627385 691077402 /nfs/dbraw/zinc/07/74/02/691077402.db2.gz LNMMJVSKOFKDIX-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322986 692263588 /nfs/dbraw/zinc/26/35/88/692263588.db2.gz GLBHDFVLEKVBOB-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015322986 692263590 /nfs/dbraw/zinc/26/35/90/692263590.db2.gz GLBHDFVLEKVBOB-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015322986 692263591 /nfs/dbraw/zinc/26/35/91/692263591.db2.gz GLBHDFVLEKVBOB-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015325202 692264584 /nfs/dbraw/zinc/26/45/84/692264584.db2.gz RECNPPILDAQFMV-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015325202 692264587 /nfs/dbraw/zinc/26/45/87/692264587.db2.gz RECNPPILDAQFMV-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015325202 692264590 /nfs/dbraw/zinc/26/45/90/692264590.db2.gz RECNPPILDAQFMV-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015325202 692264593 /nfs/dbraw/zinc/26/45/93/692264593.db2.gz RECNPPILDAQFMV-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001016330472 692654399 /nfs/dbraw/zinc/65/43/99/692654399.db2.gz GSECATUKCQYXEU-DOTOQJQBSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](CC)OC)C2)CC1 ZINC001016337160 692656269 /nfs/dbraw/zinc/65/62/69/692656269.db2.gz POFPYVHBFBVBIB-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016986191 692821144 /nfs/dbraw/zinc/82/11/44/692821144.db2.gz NIQBEAGZEXEREL-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016986191 692821152 /nfs/dbraw/zinc/82/11/52/692821152.db2.gz NIQBEAGZEXEREL-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569463 692940108 /nfs/dbraw/zinc/94/01/08/692940108.db2.gz MNAMHYDMPVCKJE-QXSJWSMHSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569463 692940112 /nfs/dbraw/zinc/94/01/12/692940112.db2.gz MNAMHYDMPVCKJE-QXSJWSMHSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001017569463 692940116 /nfs/dbraw/zinc/94/01/16/692940116.db2.gz MNAMHYDMPVCKJE-QXSJWSMHSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001017569463 692940117 /nfs/dbraw/zinc/94/01/17/692940117.db2.gz MNAMHYDMPVCKJE-QXSJWSMHSA-N 2 1 305.422 0.711 20 30 DCEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040537897 694566834 /nfs/dbraw/zinc/56/68/34/694566834.db2.gz DFIOQMZCKHUEDM-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040537897 694566835 /nfs/dbraw/zinc/56/68/35/694566835.db2.gz DFIOQMZCKHUEDM-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040537897 694566838 /nfs/dbraw/zinc/56/68/38/694566838.db2.gz DFIOQMZCKHUEDM-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040537897 694566842 /nfs/dbraw/zinc/56/68/42/694566842.db2.gz DFIOQMZCKHUEDM-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001073631901 694756136 /nfs/dbraw/zinc/75/61/36/694756136.db2.gz VSEFLHMQNLBJBC-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073631901 694756137 /nfs/dbraw/zinc/75/61/37/694756137.db2.gz VSEFLHMQNLBJBC-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073631901 694756140 /nfs/dbraw/zinc/75/61/40/694756140.db2.gz VSEFLHMQNLBJBC-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073631901 694756141 /nfs/dbraw/zinc/75/61/41/694756141.db2.gz VSEFLHMQNLBJBC-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001073741084 694775246 /nfs/dbraw/zinc/77/52/46/694775246.db2.gz OKOYRQMDSMGKDI-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001073741084 694775247 /nfs/dbraw/zinc/77/52/47/694775247.db2.gz OKOYRQMDSMGKDI-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001073741084 694775249 /nfs/dbraw/zinc/77/52/49/694775249.db2.gz OKOYRQMDSMGKDI-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001073741084 694775251 /nfs/dbraw/zinc/77/52/51/694775251.db2.gz OKOYRQMDSMGKDI-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001570472834 1162524813 /nfs/dbraw/zinc/52/48/13/1162524813.db2.gz PAGMOCKNWFJJEJ-YOEHRIQHSA-N 2 1 322.453 0.259 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cnon2)CC1 ZINC001570654074 1162576867 /nfs/dbraw/zinc/57/68/67/1162576867.db2.gz ZRAVQIRRTAHHFV-STQMWFEESA-N 2 1 319.409 0.398 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001570710032 1162590214 /nfs/dbraw/zinc/59/02/14/1162590214.db2.gz ADVJZWDVFHFRHH-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001570710032 1162590224 /nfs/dbraw/zinc/59/02/24/1162590224.db2.gz ADVJZWDVFHFRHH-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001570710032 1162590235 /nfs/dbraw/zinc/59/02/35/1162590235.db2.gz ADVJZWDVFHFRHH-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001570710032 1162590247 /nfs/dbraw/zinc/59/02/47/1162590247.db2.gz ADVJZWDVFHFRHH-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001571490185 1162780207 /nfs/dbraw/zinc/78/02/07/1162780207.db2.gz ANTULCNDMVIUDD-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001690977176 1157387322 /nfs/dbraw/zinc/38/73/22/1157387322.db2.gz VUSZTXAMSCDUOC-BRWVUGGUSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001690977176 1157387326 /nfs/dbraw/zinc/38/73/26/1157387326.db2.gz VUSZTXAMSCDUOC-BRWVUGGUSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001690977176 1157387329 /nfs/dbraw/zinc/38/73/29/1157387329.db2.gz VUSZTXAMSCDUOC-BRWVUGGUSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001690977176 1157387334 /nfs/dbraw/zinc/38/73/34/1157387334.db2.gz VUSZTXAMSCDUOC-BRWVUGGUSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001670469755 1157447251 /nfs/dbraw/zinc/44/72/51/1157447251.db2.gz LPSGLABQPURNJT-DLBZAZTESA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001755088320 1157916321 /nfs/dbraw/zinc/91/63/21/1157916321.db2.gz RNWLGNQRMUROKH-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP COCC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001755458231 1158143974 /nfs/dbraw/zinc/14/39/74/1158143974.db2.gz AMAQHRQVYZWNGQ-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001755458231 1158143975 /nfs/dbraw/zinc/14/39/75/1158143975.db2.gz AMAQHRQVYZWNGQ-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001755458231 1158143976 /nfs/dbraw/zinc/14/39/76/1158143976.db2.gz AMAQHRQVYZWNGQ-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691527948 1158213482 /nfs/dbraw/zinc/21/34/82/1158213482.db2.gz JTQUTHSXYVIMPI-IXDOHACOSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691527948 1158213485 /nfs/dbraw/zinc/21/34/85/1158213485.db2.gz JTQUTHSXYVIMPI-IXDOHACOSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691527948 1158213487 /nfs/dbraw/zinc/21/34/87/1158213487.db2.gz JTQUTHSXYVIMPI-IXDOHACOSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001671384328 1158272284 /nfs/dbraw/zinc/27/22/84/1158272284.db2.gz KWEDARQUPFBHSW-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001755877950 1158319844 /nfs/dbraw/zinc/31/98/44/1158319844.db2.gz FCEOUNUXJKACOU-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001691603423 1158353881 /nfs/dbraw/zinc/35/38/81/1158353881.db2.gz CNCKUIJNWIKCAL-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001566094723 1159964281 /nfs/dbraw/zinc/96/42/81/1159964281.db2.gz UFLMJFXFASJUKN-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567088569 1160235753 /nfs/dbraw/zinc/23/57/53/1160235753.db2.gz PODRUMIPJLOQFS-HNNXBMFYSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567203467 1160271575 /nfs/dbraw/zinc/27/15/75/1160271575.db2.gz SOOJKENNJVEMEB-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567203467 1160271585 /nfs/dbraw/zinc/27/15/85/1160271585.db2.gz SOOJKENNJVEMEB-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567203467 1160271590 /nfs/dbraw/zinc/27/15/90/1160271590.db2.gz SOOJKENNJVEMEB-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567203467 1160271596 /nfs/dbraw/zinc/27/15/96/1160271596.db2.gz SOOJKENNJVEMEB-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001567910718 1160530762 /nfs/dbraw/zinc/53/07/62/1160530762.db2.gz HUDWYPIQANNTQE-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001567910718 1160530768 /nfs/dbraw/zinc/53/07/68/1160530768.db2.gz HUDWYPIQANNTQE-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001567910718 1160530778 /nfs/dbraw/zinc/53/07/78/1160530778.db2.gz HUDWYPIQANNTQE-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001567910718 1160530785 /nfs/dbraw/zinc/53/07/85/1160530785.db2.gz HUDWYPIQANNTQE-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC#CCOC)C1 ZINC001569651781 1161179292 /nfs/dbraw/zinc/17/92/92/1161179292.db2.gz VYDIDJBGPGESHD-QGZVFWFLSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC#CCOC)C1 ZINC001569651781 1161179295 /nfs/dbraw/zinc/17/92/95/1161179295.db2.gz VYDIDJBGPGESHD-QGZVFWFLSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC#CCOC)C1 ZINC001569651781 1161179300 /nfs/dbraw/zinc/17/93/00/1161179300.db2.gz VYDIDJBGPGESHD-QGZVFWFLSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001569814326 1161263119 /nfs/dbraw/zinc/26/31/19/1161263119.db2.gz TXHNAENYDLCKRH-OLZOCXBDSA-N 2 1 304.394 0.810 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001570144883 1161444494 /nfs/dbraw/zinc/44/44/94/1161444494.db2.gz YJHNJLFUEPVBKE-AWEZNQCLSA-N 2 1 320.393 0.190 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001570295489 1161552193 /nfs/dbraw/zinc/55/21/93/1161552193.db2.gz IQIWBQZNTFGKLD-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001649976085 1173353589 /nfs/dbraw/zinc/35/35/89/1173353589.db2.gz OGLGPLWBMBFRFR-GWUWNPHMSA-N 2 1 320.437 0.353 20 30 DCEDMP CC#CC[NH2+]C1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001662134423 1174182212 /nfs/dbraw/zinc/18/22/12/1174182212.db2.gz GHEHMDQGMXJZPM-UHFFFAOYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001663628417 1174337150 /nfs/dbraw/zinc/33/71/50/1174337150.db2.gz AIWREKBNEBQSMG-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001665743097 1174558701 /nfs/dbraw/zinc/55/87/01/1174558701.db2.gz UNHRYCJDQRCBMZ-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001665743097 1174558704 /nfs/dbraw/zinc/55/87/04/1174558704.db2.gz UNHRYCJDQRCBMZ-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001666921931 1174648024 /nfs/dbraw/zinc/64/80/24/1174648024.db2.gz VDMCDQWGOSLVIU-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1coc(C)n1 ZINC001669321037 1174918822 /nfs/dbraw/zinc/91/88/22/1174918822.db2.gz WPWWTFKPCDBVEE-DOMZBBRYSA-N 2 1 304.394 0.675 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001672034029 1175066309 /nfs/dbraw/zinc/06/63/09/1175066309.db2.gz AGUVQVVWXUVVDY-GOSISDBHSA-N 2 1 321.465 0.847 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672043714 1175069581 /nfs/dbraw/zinc/06/95/81/1175069581.db2.gz AOPNPMZHLFZHBR-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001672504498 1175119798 /nfs/dbraw/zinc/11/97/98/1175119798.db2.gz ZXXXOLLRIDVJAB-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001672504498 1175119800 /nfs/dbraw/zinc/11/98/00/1175119800.db2.gz ZXXXOLLRIDVJAB-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001672567533 1175126628 /nfs/dbraw/zinc/12/66/28/1175126628.db2.gz IBFICMRAIROYHV-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001673288004 1175185448 /nfs/dbraw/zinc/18/54/48/1175185448.db2.gz CSCBNWCXGLLPOV-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001673675612 1175222049 /nfs/dbraw/zinc/22/20/49/1175222049.db2.gz DBVMLXOMDQISMV-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001675153380 1175332791 /nfs/dbraw/zinc/33/27/91/1175332791.db2.gz CSFHSDMWQYYFOP-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001677632126 1175588315 /nfs/dbraw/zinc/58/83/15/1175588315.db2.gz HGKPSNPMOIXCDA-INIZCTEOSA-N 2 1 307.438 0.889 20 30 DCEDMP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001677632126 1175588319 /nfs/dbraw/zinc/58/83/19/1175588319.db2.gz HGKPSNPMOIXCDA-INIZCTEOSA-N 2 1 307.438 0.889 20 30 DCEDMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001677632126 1175588322 /nfs/dbraw/zinc/58/83/22/1175588322.db2.gz HGKPSNPMOIXCDA-INIZCTEOSA-N 2 1 307.438 0.889 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC001683110142 1175953274 /nfs/dbraw/zinc/95/32/74/1175953274.db2.gz UZWCEHKQQMSBMT-UHFFFAOYSA-N 2 1 320.462 0.970 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC001683110142 1175953277 /nfs/dbraw/zinc/95/32/77/1175953277.db2.gz UZWCEHKQQMSBMT-UHFFFAOYSA-N 2 1 320.462 0.970 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001690064735 1177157851 /nfs/dbraw/zinc/15/78/51/1177157851.db2.gz WWGPWMTUEPLJEP-UHFFFAOYSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001690342022 1177217710 /nfs/dbraw/zinc/21/77/10/1177217710.db2.gz XHSMTNQEWZARIZ-YVECIDJPSA-N 2 1 317.393 0.052 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690376936 1177228367 /nfs/dbraw/zinc/22/83/67/1177228367.db2.gz RDUDKPVJZJCFRM-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690376936 1177228373 /nfs/dbraw/zinc/22/83/73/1177228373.db2.gz RDUDKPVJZJCFRM-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001690376936 1177228376 /nfs/dbraw/zinc/22/83/76/1177228376.db2.gz RDUDKPVJZJCFRM-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001690860075 1177337931 /nfs/dbraw/zinc/33/79/31/1177337931.db2.gz RFAXBUWUEHWNOK-JYJNAYRXSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001698787719 1177656958 /nfs/dbraw/zinc/65/69/58/1177656958.db2.gz GMQJAJDUSMUBTP-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001698787719 1177656959 /nfs/dbraw/zinc/65/69/59/1177656959.db2.gz GMQJAJDUSMUBTP-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001699593990 1178210089 /nfs/dbraw/zinc/21/00/89/1178210089.db2.gz UWAMDZVBOURLDA-GOEBONIOSA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001699593989 1178210162 /nfs/dbraw/zinc/21/01/62/1178210162.db2.gz UWAMDZVBOURLDA-GDBMZVCRSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001699808514 1178292948 /nfs/dbraw/zinc/29/29/48/1178292948.db2.gz LYWRXYQIJYAARF-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001699924161 1178383201 /nfs/dbraw/zinc/38/32/01/1178383201.db2.gz ZAQDJDGRPXYUQN-UHFFFAOYSA-N 2 1 321.465 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCOCC)C1 ZINC001700065191 1178467469 /nfs/dbraw/zinc/46/74/69/1178467469.db2.gz INXSNLFLAAKMBQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCOCC)C1 ZINC001700065191 1178467472 /nfs/dbraw/zinc/46/74/72/1178467472.db2.gz INXSNLFLAAKMBQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001700236820 1178546014 /nfs/dbraw/zinc/54/60/14/1178546014.db2.gz QWVZKKCFUSBKOI-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001700265694 1178560653 /nfs/dbraw/zinc/56/06/53/1178560653.db2.gz JCJWASNGTDDBKW-DZGCQCFKSA-N 2 1 306.410 0.831 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001700339624 1178588244 /nfs/dbraw/zinc/58/82/44/1178588244.db2.gz RLOOEVUAMWYQAI-HNNXBMFYSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001700375150 1178601357 /nfs/dbraw/zinc/60/13/57/1178601357.db2.gz RDKXHCZURLYHFU-OFLPRAFFSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001700375149 1178601391 /nfs/dbraw/zinc/60/13/91/1178601391.db2.gz RDKXHCZURLYHFU-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001713290387 1180752940 /nfs/dbraw/zinc/75/29/40/1180752940.db2.gz HBCWTCFKCYOLGC-GTPINHCMSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713909110 1181142047 /nfs/dbraw/zinc/14/20/47/1181142047.db2.gz KSALTHMFNYUDPM-UHFFFAOYSA-N 2 1 305.422 0.313 20 30 DCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001714173712 1181272899 /nfs/dbraw/zinc/27/28/99/1181272899.db2.gz RADOLFQUGHGNLK-QGZVFWFLSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714278655 1181304443 /nfs/dbraw/zinc/30/44/43/1181304443.db2.gz NEDHIGFESXBDKO-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715014036 1181649729 /nfs/dbraw/zinc/64/97/29/1181649729.db2.gz AYLIBHXRSJXMCN-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715014036 1181649740 /nfs/dbraw/zinc/64/97/40/1181649740.db2.gz AYLIBHXRSJXMCN-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001715014036 1181649743 /nfs/dbraw/zinc/64/97/43/1181649743.db2.gz AYLIBHXRSJXMCN-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001715014036 1181649745 /nfs/dbraw/zinc/64/97/45/1181649745.db2.gz AYLIBHXRSJXMCN-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715214121 1181718737 /nfs/dbraw/zinc/71/87/37/1181718737.db2.gz ZFVJXCZLAQNLMU-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CCCCC1 ZINC001715405328 1181801851 /nfs/dbraw/zinc/80/18/51/1181801851.db2.gz QBHVQNWRXOPOQB-QGZVFWFLSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C[C@H](C)OC)CC1 ZINC001715540514 1181849796 /nfs/dbraw/zinc/84/97/96/1181849796.db2.gz XGXBTBVKCSYXAT-HNNXBMFYSA-N 2 1 309.454 0.757 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716029494 1182153133 /nfs/dbraw/zinc/15/31/33/1182153133.db2.gz NGHYVLJYBCHFQS-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716029494 1182153139 /nfs/dbraw/zinc/15/31/39/1182153139.db2.gz NGHYVLJYBCHFQS-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001716498029 1182414319 /nfs/dbraw/zinc/41/43/19/1182414319.db2.gz MBBXAVDOIHUSNX-AWEZNQCLSA-N 2 1 305.426 0.518 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001716920540 1182575171 /nfs/dbraw/zinc/57/51/71/1182575171.db2.gz XRXHEHWDGKVYQR-WMZOPIPTSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716920540 1182575175 /nfs/dbraw/zinc/57/51/75/1182575175.db2.gz XRXHEHWDGKVYQR-WMZOPIPTSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716920540 1182575179 /nfs/dbraw/zinc/57/51/79/1182575179.db2.gz XRXHEHWDGKVYQR-WMZOPIPTSA-N 2 1 319.449 0.580 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001716925785 1182580943 /nfs/dbraw/zinc/58/09/43/1182580943.db2.gz HUNNKCKBBDAODE-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCO1 ZINC001717172137 1182707922 /nfs/dbraw/zinc/70/79/22/1182707922.db2.gz FZCOTKIDZYQGNC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCOC)CC1 ZINC001717500834 1182865729 /nfs/dbraw/zinc/86/57/29/1182865729.db2.gz YLTCNYHQMLIELP-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](C)OC)C1 ZINC001717642205 1182935682 /nfs/dbraw/zinc/93/56/82/1182935682.db2.gz NTPGXGKBYZHRFL-FPCVCCKLSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](C)OC)C1 ZINC001717642205 1182935684 /nfs/dbraw/zinc/93/56/84/1182935684.db2.gz NTPGXGKBYZHRFL-FPCVCCKLSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001717801519 1183007881 /nfs/dbraw/zinc/00/78/81/1183007881.db2.gz GNHHRZKPROACPX-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001717829678 1183020727 /nfs/dbraw/zinc/02/07/27/1183020727.db2.gz IWFSWNJOACPDPO-JSGCOSHPSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001722992180 1184243936 /nfs/dbraw/zinc/24/39/36/1184243936.db2.gz TUJHYGFUZFJNAU-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001724736659 1184539781 /nfs/dbraw/zinc/53/97/81/1184539781.db2.gz CFBGIOTUNYODFB-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001724829581 1184581222 /nfs/dbraw/zinc/58/12/22/1184581222.db2.gz APFLSVFOCGUQMZ-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001724829581 1184581227 /nfs/dbraw/zinc/58/12/27/1184581227.db2.gz APFLSVFOCGUQMZ-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001724908329 1184615293 /nfs/dbraw/zinc/61/52/93/1184615293.db2.gz FRRDWADTCWYGMG-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001725227987 1184729727 /nfs/dbraw/zinc/72/97/27/1184729727.db2.gz DMCRWXUQFRELGD-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001725227987 1184729731 /nfs/dbraw/zinc/72/97/31/1184729731.db2.gz DMCRWXUQFRELGD-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001725227986 1184729999 /nfs/dbraw/zinc/72/99/99/1184729999.db2.gz DMCRWXUQFRELGD-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001725227986 1184730004 /nfs/dbraw/zinc/73/00/04/1184730004.db2.gz DMCRWXUQFRELGD-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001725260574 1184743401 /nfs/dbraw/zinc/74/34/01/1184743401.db2.gz RNUUADGMOQIWCU-STQMWFEESA-N 2 1 310.442 0.065 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001725289390 1184754811 /nfs/dbraw/zinc/75/48/11/1184754811.db2.gz BHNWCHNCYFVYRB-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001725289390 1184754814 /nfs/dbraw/zinc/75/48/14/1184754814.db2.gz BHNWCHNCYFVYRB-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001725289390 1184754816 /nfs/dbraw/zinc/75/48/16/1184754816.db2.gz BHNWCHNCYFVYRB-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001725289390 1184754820 /nfs/dbraw/zinc/75/48/20/1184754820.db2.gz BHNWCHNCYFVYRB-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001725540263 1184870595 /nfs/dbraw/zinc/87/05/95/1184870595.db2.gz SGZIRUAOOKZAKJ-AWEZNQCLSA-N 2 1 309.454 0.729 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001725715968 1184964689 /nfs/dbraw/zinc/96/46/89/1184964689.db2.gz WBVQVJYMOLTTBQ-LSDHHAIUSA-N 2 1 320.437 0.781 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001725715968 1184964695 /nfs/dbraw/zinc/96/46/95/1184964695.db2.gz WBVQVJYMOLTTBQ-LSDHHAIUSA-N 2 1 320.437 0.781 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001725715356 1184965500 /nfs/dbraw/zinc/96/55/00/1184965500.db2.gz FPFQIQDIKQRNHS-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725715356 1184965505 /nfs/dbraw/zinc/96/55/05/1184965505.db2.gz FPFQIQDIKQRNHS-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001725715356 1184965508 /nfs/dbraw/zinc/96/55/08/1184965508.db2.gz FPFQIQDIKQRNHS-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725716363 1184965665 /nfs/dbraw/zinc/96/56/65/1184965665.db2.gz XHPAPDMISQDOJE-HOTGVXAUSA-N 2 1 309.454 0.655 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001731368810 1185302064 /nfs/dbraw/zinc/30/20/64/1185302064.db2.gz ZNANAAWDQRUFIM-UHFFFAOYSA-N 2 1 306.454 0.085 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001731458059 1185343153 /nfs/dbraw/zinc/34/31/53/1185343153.db2.gz SKDNIHQULNNKDO-IHRRRGAJSA-N 2 1 304.394 0.475 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001731574018 1185394726 /nfs/dbraw/zinc/39/47/26/1185394726.db2.gz XUMZDCULUCFQDU-FHERZECASA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001731859702 1185534160 /nfs/dbraw/zinc/53/41/60/1185534160.db2.gz YGUUXLKSRTVUEJ-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001731859702 1185534163 /nfs/dbraw/zinc/53/41/63/1185534163.db2.gz YGUUXLKSRTVUEJ-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731859702 1185534166 /nfs/dbraw/zinc/53/41/66/1185534166.db2.gz YGUUXLKSRTVUEJ-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCCCOC)C2)CC1 ZINC001733316724 1186225914 /nfs/dbraw/zinc/22/59/14/1186225914.db2.gz FHHIUDNDHXLSSO-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001733374839 1186245816 /nfs/dbraw/zinc/24/58/16/1186245816.db2.gz BYWSOCBHOBRXSS-HOTGVXAUSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001733444746 1186272164 /nfs/dbraw/zinc/27/21/64/1186272164.db2.gz FHOWCTOYPPVHSF-YOEHRIQHSA-N 2 1 322.453 0.069 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001733491645 1186299274 /nfs/dbraw/zinc/29/92/74/1186299274.db2.gz GRFLZVMUNDAOMF-WMZOPIPTSA-N 2 1 315.417 0.476 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001733491645 1186299286 /nfs/dbraw/zinc/29/92/86/1186299286.db2.gz GRFLZVMUNDAOMF-WMZOPIPTSA-N 2 1 315.417 0.476 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001733509193 1186317000 /nfs/dbraw/zinc/31/70/00/1186317000.db2.gz DTJCYLDGVBAKHJ-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001733509193 1186317007 /nfs/dbraw/zinc/31/70/07/1186317007.db2.gz DTJCYLDGVBAKHJ-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#CCOC)C1 ZINC001733536626 1186325811 /nfs/dbraw/zinc/32/58/11/1186325811.db2.gz URHWLPXMKIHGMV-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001733625866 1186377164 /nfs/dbraw/zinc/37/71/64/1186377164.db2.gz AASLBERIASZIMJ-MRXNPFEDSA-N 2 1 309.454 0.683 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001753137454 1188512597 /nfs/dbraw/zinc/51/25/97/1188512597.db2.gz KCLIZPIJQJJZIA-HNNXBMFYSA-N 2 1 305.422 0.170 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001753224799 1188539985 /nfs/dbraw/zinc/53/99/85/1188539985.db2.gz LMSGEIQVUAONIX-OAHLLOKOSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001753297966 1188560095 /nfs/dbraw/zinc/56/00/95/1188560095.db2.gz VVNZRMGVPQZXLE-IAGOWNOFSA-N 2 1 315.417 0.787 20 30 DCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001753297966 1188560097 /nfs/dbraw/zinc/56/00/97/1188560097.db2.gz VVNZRMGVPQZXLE-IAGOWNOFSA-N 2 1 315.417 0.787 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncn1C ZINC001753972584 1188700176 /nfs/dbraw/zinc/70/01/76/1188700176.db2.gz XSTBMXHABNGEAE-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncn1C ZINC001753972584 1188700178 /nfs/dbraw/zinc/70/01/78/1188700178.db2.gz XSTBMXHABNGEAE-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001754558876 1188879430 /nfs/dbraw/zinc/87/94/30/1188879430.db2.gz FZHGBTZFKNVIKD-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001754758760 1188925176 /nfs/dbraw/zinc/92/51/76/1188925176.db2.gz DSJPVBBFOOOAPE-RHSMWYFYSA-N 2 1 320.437 0.870 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001754758994 1188925633 /nfs/dbraw/zinc/92/56/33/1188925633.db2.gz GYAOJWPVPQFLDJ-MRXNPFEDSA-N 2 1 306.410 0.482 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755154159 1189038420 /nfs/dbraw/zinc/03/84/20/1189038420.db2.gz FDCYAJKNDUZVMJ-MRXNPFEDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC#CCOC ZINC001755501764 1189130167 /nfs/dbraw/zinc/13/01/67/1189130167.db2.gz OWFJRACAGWDLBM-SJORKVTESA-N 2 1 319.449 0.608 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC#CCOC ZINC001755501764 1189130169 /nfs/dbraw/zinc/13/01/69/1189130169.db2.gz OWFJRACAGWDLBM-SJORKVTESA-N 2 1 319.449 0.608 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001755779399 1189208182 /nfs/dbraw/zinc/20/81/82/1189208182.db2.gz JNFJUHSJGUCAGT-CABCVRRESA-N 2 1 320.437 0.829 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001755787418 1189213066 /nfs/dbraw/zinc/21/30/66/1189213066.db2.gz VORNQJMHYUXZRZ-ZBFHGGJFSA-N 2 1 318.421 0.186 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106910687 751553132 /nfs/dbraw/zinc/55/31/32/751553132.db2.gz JZYGZGFWYTYMEN-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@H]3C2)CC1 ZINC001042367457 751603219 /nfs/dbraw/zinc/60/32/19/751603219.db2.gz HSFFPDTWCJJJLX-RDJZCZTQSA-N 2 1 319.449 0.247 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001100446978 747055990 /nfs/dbraw/zinc/05/59/90/747055990.db2.gz JNZALESVDOJGPL-NRXISQOPSA-N 2 1 322.453 0.257 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083213628 747217778 /nfs/dbraw/zinc/21/77/78/747217778.db2.gz JDKFCKWRCBZCMU-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083213628 747217782 /nfs/dbraw/zinc/21/77/82/747217782.db2.gz JDKFCKWRCBZCMU-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098561143 747339559 /nfs/dbraw/zinc/33/95/59/747339559.db2.gz UFLWZSWRBSRXEU-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561143 747339565 /nfs/dbraw/zinc/33/95/65/747339565.db2.gz UFLWZSWRBSRXEU-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561143 747339572 /nfs/dbraw/zinc/33/95/72/747339572.db2.gz UFLWZSWRBSRXEU-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001098572522 747448173 /nfs/dbraw/zinc/44/81/73/747448173.db2.gz MIZGMIQMTHREKQ-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167737402 747977646 /nfs/dbraw/zinc/97/76/46/747977646.db2.gz SGEKDDWMCHEAKQ-INIZCTEOSA-N 2 1 321.465 0.854 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172687 749277874 /nfs/dbraw/zinc/27/78/74/749277874.db2.gz ZLTBWBYOHXFPOD-CVEARBPZSA-N 2 1 301.434 0.886 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208232 749290124 /nfs/dbraw/zinc/29/01/24/749290124.db2.gz RFLVCNVHKAXOJL-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208232 749290131 /nfs/dbraw/zinc/29/01/31/749290131.db2.gz RFLVCNVHKAXOJL-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208232 749290135 /nfs/dbraw/zinc/29/01/35/749290135.db2.gz RFLVCNVHKAXOJL-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208232 749290140 /nfs/dbraw/zinc/29/01/40/749290140.db2.gz RFLVCNVHKAXOJL-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208232 749290149 /nfs/dbraw/zinc/29/01/49/749290149.db2.gz RFLVCNVHKAXOJL-PMPSAXMXSA-N 2 1 307.438 0.673 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001101035909 749981902 /nfs/dbraw/zinc/98/19/02/749981902.db2.gz DMCVRXRBSHWUSY-OFLPRAFFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077280901 750313224 /nfs/dbraw/zinc/31/32/24/750313224.db2.gz PFOBKVGIRMQVJH-OWCLPIDISA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280901 750313233 /nfs/dbraw/zinc/31/32/33/750313233.db2.gz PFOBKVGIRMQVJH-OWCLPIDISA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280901 750313242 /nfs/dbraw/zinc/31/32/42/750313242.db2.gz PFOBKVGIRMQVJH-OWCLPIDISA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280901 750313250 /nfs/dbraw/zinc/31/32/50/750313250.db2.gz PFOBKVGIRMQVJH-OWCLPIDISA-N 2 1 307.438 0.291 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098778789 750912185 /nfs/dbraw/zinc/91/21/85/750912185.db2.gz ATARPWWHVJGKEJ-HNNXBMFYSA-N 2 1 318.425 0.423 20 30 DCEDMP CC#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719386 751032324 /nfs/dbraw/zinc/03/23/24/751032324.db2.gz BNBNZURSPGWGPO-OAGGEKHMSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719386 751032331 /nfs/dbraw/zinc/03/23/31/751032331.db2.gz BNBNZURSPGWGPO-OAGGEKHMSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719386 751032335 /nfs/dbraw/zinc/03/23/35/751032335.db2.gz BNBNZURSPGWGPO-OAGGEKHMSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719386 751032344 /nfs/dbraw/zinc/03/23/44/751032344.db2.gz BNBNZURSPGWGPO-OAGGEKHMSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719386 751032350 /nfs/dbraw/zinc/03/23/50/751032350.db2.gz BNBNZURSPGWGPO-OAGGEKHMSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046567400 751032437 /nfs/dbraw/zinc/03/24/37/751032437.db2.gz IOEIAFKVPUGMEK-RDJZCZTQSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CC[NH+](C)C)CC2 ZINC001128032844 752720068 /nfs/dbraw/zinc/72/00/68/752720068.db2.gz MOKCKBRGBIERBU-CYBMUJFWSA-N 2 1 320.441 0.327 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C(C)C)C[C@H]2O)CC1 ZINC001078227079 753122262 /nfs/dbraw/zinc/12/22/62/753122262.db2.gz IBONGOCAFXMPJQ-IAGOWNOFSA-N 2 1 319.449 0.459 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045685943 753294218 /nfs/dbraw/zinc/29/42/18/753294218.db2.gz LDNMPGAKXYYMLM-HZPDHXFCSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001046035121 753438278 /nfs/dbraw/zinc/43/82/78/753438278.db2.gz FCPVMHXFHZPKTO-QGZVFWFLSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035121 753438280 /nfs/dbraw/zinc/43/82/80/753438280.db2.gz FCPVMHXFHZPKTO-QGZVFWFLSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035121 753438286 /nfs/dbraw/zinc/43/82/86/753438286.db2.gz FCPVMHXFHZPKTO-QGZVFWFLSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064349 753459076 /nfs/dbraw/zinc/45/90/76/753459076.db2.gz LKNCGBWXKQQODZ-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064349 753459083 /nfs/dbraw/zinc/45/90/83/753459083.db2.gz LKNCGBWXKQQODZ-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064349 753459089 /nfs/dbraw/zinc/45/90/89/753459089.db2.gz LKNCGBWXKQQODZ-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046082476 753471959 /nfs/dbraw/zinc/47/19/59/753471959.db2.gz SDKVXLPVDFREFT-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082476 753471960 /nfs/dbraw/zinc/47/19/60/753471960.db2.gz SDKVXLPVDFREFT-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082476 753471962 /nfs/dbraw/zinc/47/19/62/753471962.db2.gz SDKVXLPVDFREFT-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001047553707 754386056 /nfs/dbraw/zinc/38/60/56/754386056.db2.gz SPWWXQIICWKRJZ-ULQDDVLXSA-N 2 1 321.465 0.778 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833285 754967903 /nfs/dbraw/zinc/96/79/03/754967903.db2.gz MSUYTVGSGVCSIZ-YVSFHVDLSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833285 754967906 /nfs/dbraw/zinc/96/79/06/754967906.db2.gz MSUYTVGSGVCSIZ-YVSFHVDLSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833285 754967907 /nfs/dbraw/zinc/96/79/07/754967907.db2.gz MSUYTVGSGVCSIZ-YVSFHVDLSA-N 2 1 319.449 0.816 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCO)C2)CC1 ZINC001072095601 762353001 /nfs/dbraw/zinc/35/30/01/762353001.db2.gz LGPHEGWCHZHLCU-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049008651 755071337 /nfs/dbraw/zinc/07/13/37/755071337.db2.gz XNKFWBBUTNRNJQ-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049008651 755071338 /nfs/dbraw/zinc/07/13/38/755071338.db2.gz XNKFWBBUTNRNJQ-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049008651 755071340 /nfs/dbraw/zinc/07/13/40/755071340.db2.gz XNKFWBBUTNRNJQ-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049008651 755071341 /nfs/dbraw/zinc/07/13/41/755071341.db2.gz XNKFWBBUTNRNJQ-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049135919 755141936 /nfs/dbraw/zinc/14/19/36/755141936.db2.gz OGPJWYXQZHAWAG-GASCZTMLSA-N 2 1 307.438 0.673 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001054243391 756415146 /nfs/dbraw/zinc/41/51/46/756415146.db2.gz GXPJHQJDTUFPJY-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001054243391 756415150 /nfs/dbraw/zinc/41/51/50/756415150.db2.gz GXPJHQJDTUFPJY-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001054243391 756415154 /nfs/dbraw/zinc/41/51/54/756415154.db2.gz GXPJHQJDTUFPJY-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001054243391 756415157 /nfs/dbraw/zinc/41/51/57/756415157.db2.gz GXPJHQJDTUFPJY-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796306 756788586 /nfs/dbraw/zinc/78/85/86/756788586.db2.gz OSSWYZDCZYLXJB-ARFHVFGLSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796306 756788587 /nfs/dbraw/zinc/78/85/87/756788587.db2.gz OSSWYZDCZYLXJB-ARFHVFGLSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796306 756788589 /nfs/dbraw/zinc/78/85/89/756788589.db2.gz OSSWYZDCZYLXJB-ARFHVFGLSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796306 756788590 /nfs/dbraw/zinc/78/85/90/756788590.db2.gz OSSWYZDCZYLXJB-ARFHVFGLSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081979520 756891151 /nfs/dbraw/zinc/89/11/51/756891151.db2.gz BKIOTWAKJJOQCO-ZACQAIPSSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001082018607 756902259 /nfs/dbraw/zinc/90/22/59/756902259.db2.gz KNTQKQZPKCDAIJ-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001082018607 756902261 /nfs/dbraw/zinc/90/22/61/756902261.db2.gz KNTQKQZPKCDAIJ-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001083144783 757523174 /nfs/dbraw/zinc/52/31/74/757523174.db2.gz ZOISPBKNIRABII-DLBZAZTESA-N 2 1 324.384 0.883 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525940 757797308 /nfs/dbraw/zinc/79/73/08/757797308.db2.gz ORBHEMUWBXJCSK-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170222970 762578047 /nfs/dbraw/zinc/57/80/47/762578047.db2.gz PQBCREIQYGRFPR-UHFFFAOYSA-N 2 1 324.469 0.625 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050563954 757847078 /nfs/dbraw/zinc/84/70/78/757847078.db2.gz LYINVXUGYNYZQJ-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050563954 757847094 /nfs/dbraw/zinc/84/70/94/757847094.db2.gz LYINVXUGYNYZQJ-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368498 758793387 /nfs/dbraw/zinc/79/33/87/758793387.db2.gz QXLJNHDCAGKPTR-QGZVFWFLSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001098369136 758794540 /nfs/dbraw/zinc/79/45/40/758794540.db2.gz RDBQQHBZBLLZDY-QGZVFWFLSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001098369136 758794543 /nfs/dbraw/zinc/79/45/43/758794543.db2.gz RDBQQHBZBLLZDY-QGZVFWFLSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001098369136 758794548 /nfs/dbraw/zinc/79/45/48/758794548.db2.gz RDBQQHBZBLLZDY-QGZVFWFLSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC001098570338 762691960 /nfs/dbraw/zinc/69/19/60/762691960.db2.gz HTBQINMXXBXYNU-JKSUJKDBSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001098392598 759243893 /nfs/dbraw/zinc/24/38/93/759243893.db2.gz VMZOHDZNXKNHIX-UHFFFAOYSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098392598 759243901 /nfs/dbraw/zinc/24/39/01/759243901.db2.gz VMZOHDZNXKNHIX-UHFFFAOYSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098392598 759243907 /nfs/dbraw/zinc/24/39/07/759243907.db2.gz VMZOHDZNXKNHIX-UHFFFAOYSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731937 759244878 /nfs/dbraw/zinc/24/48/78/759244878.db2.gz NXVWXKXWBYPALI-GYMHETDLSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731937 759244889 /nfs/dbraw/zinc/24/48/89/759244889.db2.gz NXVWXKXWBYPALI-GYMHETDLSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731937 759244896 /nfs/dbraw/zinc/24/48/96/759244896.db2.gz NXVWXKXWBYPALI-GYMHETDLSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731937 759244902 /nfs/dbraw/zinc/24/49/02/759244902.db2.gz NXVWXKXWBYPALI-GYMHETDLSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100084168 760188733 /nfs/dbraw/zinc/18/87/33/760188733.db2.gz YCIRPECFDXVVEG-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100084168 760188738 /nfs/dbraw/zinc/18/87/38/760188738.db2.gz YCIRPECFDXVVEG-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100084168 760188744 /nfs/dbraw/zinc/18/87/44/760188744.db2.gz YCIRPECFDXVVEG-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169799646 760848334 /nfs/dbraw/zinc/84/83/34/760848334.db2.gz WPNQRUGLUOTVKH-LSDHHAIUSA-N 2 1 324.469 0.647 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158513 761112865 /nfs/dbraw/zinc/11/28/65/761112865.db2.gz NULJVDBQGFLQPN-KFWWJZLASA-N 2 1 318.425 0.290 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241562 761733175 /nfs/dbraw/zinc/73/31/75/761733175.db2.gz WTSNZTNMXWBJEX-NVXWUHKLSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCCCO1 ZINC001129771110 763008217 /nfs/dbraw/zinc/00/82/17/763008217.db2.gz REETYUAYJYSOBE-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCCCO1 ZINC001129771110 763008219 /nfs/dbraw/zinc/00/82/19/763008219.db2.gz REETYUAYJYSOBE-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107372 763126984 /nfs/dbraw/zinc/12/69/84/763126984.db2.gz MNXZBMORXVXWHL-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064586 763272559 /nfs/dbraw/zinc/27/25/59/763272559.db2.gz OLVVLXJPYHLATL-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064586 763272567 /nfs/dbraw/zinc/27/25/67/763272567.db2.gz OLVVLXJPYHLATL-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064586 763272573 /nfs/dbraw/zinc/27/25/73/763272573.db2.gz OLVVLXJPYHLATL-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+]2CCCC2)C1 ZINC001130446915 763311535 /nfs/dbraw/zinc/31/15/35/763311535.db2.gz UCAZQHVFEXQYOP-CQSZACIVSA-N 2 1 315.421 0.544 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100114329 763323780 /nfs/dbraw/zinc/32/37/80/763323780.db2.gz LSXVXQMCNZHBIJ-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125068 763333889 /nfs/dbraw/zinc/33/38/89/763333889.db2.gz RJBKBPQZYQUDJC-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127575 763335907 /nfs/dbraw/zinc/33/59/07/763335907.db2.gz WZKNLSBILPIWKU-HOTGVXAUSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678860 763720892 /nfs/dbraw/zinc/72/08/92/763720892.db2.gz ZNPSBVWVCXFVTQ-QQFBHYJXSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131691934 763951227 /nfs/dbraw/zinc/95/12/27/763951227.db2.gz BRBFLFHXBKNEHG-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158509045 764133211 /nfs/dbraw/zinc/13/32/11/764133211.db2.gz ZAWUBKYUBYUALY-GJZGRUSLSA-N 2 1 311.426 0.148 20 30 DCEDMP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)c1nccn12 ZINC001101641507 764214885 /nfs/dbraw/zinc/21/48/85/764214885.db2.gz RYGNKAHPWXOVIE-AWEZNQCLSA-N 2 1 317.437 0.983 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815761 764344854 /nfs/dbraw/zinc/34/48/54/764344854.db2.gz RLVUEKQGJAZCEH-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815761 764344861 /nfs/dbraw/zinc/34/48/61/764344861.db2.gz RLVUEKQGJAZCEH-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815761 764344866 /nfs/dbraw/zinc/34/48/66/764344866.db2.gz RLVUEKQGJAZCEH-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133165018 764855282 /nfs/dbraw/zinc/85/52/82/764855282.db2.gz ALRALUWKLLCAQG-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133165359 764855372 /nfs/dbraw/zinc/85/53/72/764855372.db2.gz FRXNDALDWAZDMH-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092278185 768255057 /nfs/dbraw/zinc/25/50/57/768255057.db2.gz JCFMWFXJIJOZBX-WBVHZDCISA-N 2 1 300.406 0.995 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092278185 768255063 /nfs/dbraw/zinc/25/50/63/768255063.db2.gz JCFMWFXJIJOZBX-WBVHZDCISA-N 2 1 300.406 0.995 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833718 765164117 /nfs/dbraw/zinc/16/41/17/765164117.db2.gz DKLGARSSKUDBPF-HNNXBMFYSA-N 2 1 322.453 0.377 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917235 765426583 /nfs/dbraw/zinc/42/65/83/765426583.db2.gz RVOMSDOFSSCUAY-YJBOKZPZSA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979937 765543428 /nfs/dbraw/zinc/54/34/28/765543428.db2.gz HQFAEZQRTSTFCR-QLPKVWCKSA-N 2 1 307.438 0.721 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979937 765543432 /nfs/dbraw/zinc/54/34/32/765543432.db2.gz HQFAEZQRTSTFCR-QLPKVWCKSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134573688 765585028 /nfs/dbraw/zinc/58/50/28/765585028.db2.gz BFEUUXKMADXDGP-CYBMUJFWSA-N 2 1 321.425 0.403 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001115118971 765596062 /nfs/dbraw/zinc/59/60/62/765596062.db2.gz OUQQKQABOYTLIU-LJIGWXMPSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115118971 765596065 /nfs/dbraw/zinc/59/60/65/765596065.db2.gz OUQQKQABOYTLIU-LJIGWXMPSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115118971 765596067 /nfs/dbraw/zinc/59/60/67/765596067.db2.gz OUQQKQABOYTLIU-LJIGWXMPSA-N 2 1 307.438 0.577 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001124873224 768318810 /nfs/dbraw/zinc/31/88/10/768318810.db2.gz UBGPEFPUSBPGAZ-OAHLLOKOSA-N 2 1 304.369 0.997 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001136524932 766318074 /nfs/dbraw/zinc/31/80/74/766318074.db2.gz RKNFNJGEHUUHES-CQSZACIVSA-N 2 1 308.426 0.045 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090610887 766373282 /nfs/dbraw/zinc/37/32/82/766373282.db2.gz WOTMRKWKGNBOPJ-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090617770 766382945 /nfs/dbraw/zinc/38/29/45/766382945.db2.gz XHGWFPHBJZTKCK-LSDHHAIUSA-N 2 1 318.421 0.581 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090617770 766382955 /nfs/dbraw/zinc/38/29/55/766382955.db2.gz XHGWFPHBJZTKCK-LSDHHAIUSA-N 2 1 318.421 0.581 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C)C[C@@H]2O)CC1 ZINC001090829478 766647263 /nfs/dbraw/zinc/64/72/63/766647263.db2.gz BTDBIKVFSXDSOS-CVEARBPZSA-N 2 1 305.422 0.069 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)C)C[C@H]2O)CC1 ZINC001090830802 766649684 /nfs/dbraw/zinc/64/96/84/766649684.db2.gz OWHQSIZRQLAZSQ-HZPDHXFCSA-N 2 1 307.438 0.291 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001171225867 767049448 /nfs/dbraw/zinc/04/94/48/767049448.db2.gz AMCBMXYAYZEOLD-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177974 767733406 /nfs/dbraw/zinc/73/34/06/767733406.db2.gz PUPMWGIEJRQLRT-JFPDKAJLSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC ZINC001171308828 767767630 /nfs/dbraw/zinc/76/76/30/767767630.db2.gz XDOMCXDUUOILFH-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC ZINC001171308828 767767636 /nfs/dbraw/zinc/76/76/36/767767636.db2.gz XDOMCXDUUOILFH-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039032 767797561 /nfs/dbraw/zinc/79/75/61/767797561.db2.gz RVHZUTQVAUXWMO-QLPKVWCKSA-N 2 1 307.438 0.720 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147788141 767848137 /nfs/dbraw/zinc/84/81/37/767848137.db2.gz XCISXKOAHBWRGV-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147788141 767848145 /nfs/dbraw/zinc/84/81/45/767848145.db2.gz XCISXKOAHBWRGV-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001147788141 767848153 /nfs/dbraw/zinc/84/81/53/767848153.db2.gz XCISXKOAHBWRGV-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721856 768375629 /nfs/dbraw/zinc/37/56/29/768375629.db2.gz QPYDTJDFIIDYJY-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721856 768375638 /nfs/dbraw/zinc/37/56/38/768375638.db2.gz QPYDTJDFIIDYJY-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721856 768375646 /nfs/dbraw/zinc/37/56/46/768375646.db2.gz QPYDTJDFIIDYJY-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721856 768375653 /nfs/dbraw/zinc/37/56/53/768375653.db2.gz QPYDTJDFIIDYJY-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149982263 768919381 /nfs/dbraw/zinc/91/93/81/768919381.db2.gz GPDVHHCOGWBJLK-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149982263 768919385 /nfs/dbraw/zinc/91/93/85/768919385.db2.gz GPDVHHCOGWBJLK-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094816617 769295787 /nfs/dbraw/zinc/29/57/87/769295787.db2.gz DTOQHJJEGMPRMX-CQSZACIVSA-N 2 1 320.437 0.060 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nc(C)oc2C)CC1 ZINC001152330663 769529933 /nfs/dbraw/zinc/52/99/33/769529933.db2.gz RUKVZUKTTZDFFB-UHFFFAOYSA-N 2 1 318.421 0.842 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001152523536 769590924 /nfs/dbraw/zinc/59/09/24/769590924.db2.gz XJRXMPNEZMYPIK-MRXNPFEDSA-N 2 1 318.421 0.297 20 30 DCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155743549 770605698 /nfs/dbraw/zinc/60/56/98/770605698.db2.gz IIECWSHNRKFBJU-CQSZACIVSA-N 2 1 305.426 0.518 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374370 770800503 /nfs/dbraw/zinc/80/05/03/770800503.db2.gz PKQXOGCCIASKNJ-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374370 770800516 /nfs/dbraw/zinc/80/05/16/770800516.db2.gz PKQXOGCCIASKNJ-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374370 770800529 /nfs/dbraw/zinc/80/05/29/770800529.db2.gz PKQXOGCCIASKNJ-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374370 770800543 /nfs/dbraw/zinc/80/05/43/770800543.db2.gz PKQXOGCCIASKNJ-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179924681 771034906 /nfs/dbraw/zinc/03/49/06/771034906.db2.gz DWRPFGVPESTMNN-XHSDSOJGSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001157749203 771663309 /nfs/dbraw/zinc/66/33/09/771663309.db2.gz ZCCMQRLXZZLZHL-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158337405 771761901 /nfs/dbraw/zinc/76/19/01/771761901.db2.gz MZUKXOBZRKEQNR-UONOGXRCSA-N 2 1 310.442 0.115 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001160196439 772007485 /nfs/dbraw/zinc/00/74/85/772007485.db2.gz SFHLUHJYMQZYGH-SJORKVTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001160196439 772007492 /nfs/dbraw/zinc/00/74/92/772007492.db2.gz SFHLUHJYMQZYGH-SJORKVTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001160196439 772007499 /nfs/dbraw/zinc/00/74/99/772007499.db2.gz SFHLUHJYMQZYGH-SJORKVTESA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC(OCC)C1 ZINC001160209536 772009037 /nfs/dbraw/zinc/00/90/37/772009037.db2.gz PJEWZQOMKYTOQC-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC(OCC)C1 ZINC001160209536 772009041 /nfs/dbraw/zinc/00/90/41/772009041.db2.gz PJEWZQOMKYTOQC-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)c1cccnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160520022 772057555 /nfs/dbraw/zinc/05/75/55/772057555.db2.gz PAZGJQSEVLRCJF-QGZVFWFLSA-N 2 1 315.421 0.832 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171291 772335779 /nfs/dbraw/zinc/33/57/79/772335779.db2.gz MMFISZFQXWLXMQ-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190195273 772604873 /nfs/dbraw/zinc/60/48/73/772604873.db2.gz DBEUIXRTWXHNPB-IRXDYDNUSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644142 772656802 /nfs/dbraw/zinc/65/68/02/772656802.db2.gz FQDRIGQMBQOKFK-JKSUJKDBSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644142 772656805 /nfs/dbraw/zinc/65/68/05/772656805.db2.gz FQDRIGQMBQOKFK-JKSUJKDBSA-N 2 1 317.437 0.369 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190654614 772658145 /nfs/dbraw/zinc/65/81/45/772658145.db2.gz KKJGHPVSASNEIE-GDBMZVCRSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190654614 772658146 /nfs/dbraw/zinc/65/81/46/772658146.db2.gz KKJGHPVSASNEIE-GDBMZVCRSA-N 2 1 322.453 0.162 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCOCC)C1 ZINC001190726209 772669089 /nfs/dbraw/zinc/66/90/89/772669089.db2.gz XGMHAJRGFVZOEV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCC)C1 ZINC001190726209 772669093 /nfs/dbraw/zinc/66/90/93/772669093.db2.gz XGMHAJRGFVZOEV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCOCC)C1 ZINC001190726209 772669094 /nfs/dbraw/zinc/66/90/94/772669094.db2.gz XGMHAJRGFVZOEV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCOCC)C1 ZINC001190726209 772669098 /nfs/dbraw/zinc/66/90/98/772669098.db2.gz XGMHAJRGFVZOEV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCOCC)C1 ZINC001190726209 772669101 /nfs/dbraw/zinc/66/91/01/772669101.db2.gz XGMHAJRGFVZOEV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190890562 772692813 /nfs/dbraw/zinc/69/28/13/772692813.db2.gz SLVMSAFJFNZSGQ-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190890562 772692814 /nfs/dbraw/zinc/69/28/14/772692814.db2.gz SLVMSAFJFNZSGQ-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191375836 772760654 /nfs/dbraw/zinc/76/06/54/772760654.db2.gz FAULKHGMEWIZDW-OAHLLOKOSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191375836 772760656 /nfs/dbraw/zinc/76/06/56/772760656.db2.gz FAULKHGMEWIZDW-OAHLLOKOSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001166249500 772795956 /nfs/dbraw/zinc/79/59/56/772795956.db2.gz JROFDZRWQRSQHW-SWKXRBFHSA-N 2 1 319.449 0.912 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166751003 772855952 /nfs/dbraw/zinc/85/59/52/772855952.db2.gz PGXMQCBUBZTQIP-CQSZACIVSA-N 2 1 324.469 0.198 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203576995 772914664 /nfs/dbraw/zinc/91/46/64/772914664.db2.gz MJPCRXROJXLUQZ-JKSUJKDBSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001205526099 772998274 /nfs/dbraw/zinc/99/82/74/772998274.db2.gz DDOXOYTZGQCGER-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193078419 773001251 /nfs/dbraw/zinc/00/12/51/773001251.db2.gz SOQLHIWHRDXVSC-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193463209 773066641 /nfs/dbraw/zinc/06/66/41/773066641.db2.gz SBUPSQPZMKVESO-ZDUSSCGKSA-N 2 1 303.834 0.850 20 30 DCEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193463209 773066645 /nfs/dbraw/zinc/06/66/45/773066645.db2.gz SBUPSQPZMKVESO-ZDUSSCGKSA-N 2 1 303.834 0.850 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955114 773147777 /nfs/dbraw/zinc/14/77/77/773147777.db2.gz JPEVIKRKFAGPOH-ZACQAIPSSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955114 773147778 /nfs/dbraw/zinc/14/77/78/773147778.db2.gz JPEVIKRKFAGPOH-ZACQAIPSSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955114 773147780 /nfs/dbraw/zinc/14/77/80/773147780.db2.gz JPEVIKRKFAGPOH-ZACQAIPSSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001206955114 773147782 /nfs/dbraw/zinc/14/77/82/773147782.db2.gz JPEVIKRKFAGPOH-ZACQAIPSSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCOCC)C2)CC1 ZINC001194245485 773167539 /nfs/dbraw/zinc/16/75/39/773167539.db2.gz AYBGQBFCAKEBNU-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550984 773235590 /nfs/dbraw/zinc/23/55/90/773235590.db2.gz PWBXJKGWKZVMPK-BMFZPTHFSA-N 2 1 307.438 0.413 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007024 773305237 /nfs/dbraw/zinc/30/52/37/773305237.db2.gz UZBWGMRJTFVRDW-HUUCEWRRSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007024 773305240 /nfs/dbraw/zinc/30/52/40/773305240.db2.gz UZBWGMRJTFVRDW-HUUCEWRRSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208639391 773509861 /nfs/dbraw/zinc/50/98/61/773509861.db2.gz QHUWJSBFSJFFHI-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210812399 773741399 /nfs/dbraw/zinc/74/13/99/773741399.db2.gz ZHIGZKDFGIIPER-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214610707 774002677 /nfs/dbraw/zinc/00/26/77/774002677.db2.gz CJYCSHUBSWQSRF-ZACQAIPSSA-N 2 1 321.465 0.946 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001214665410 774005947 /nfs/dbraw/zinc/00/59/47/774005947.db2.gz AVWSMOHRCZIGKE-YYIAUSFCSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128049 774033423 /nfs/dbraw/zinc/03/34/23/774033423.db2.gz MWVCSTFYBWLCNM-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536089 774081828 /nfs/dbraw/zinc/08/18/28/774081828.db2.gz HRBZYIYEJOQPOL-RBSFLKMASA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216490471 774119160 /nfs/dbraw/zinc/11/91/60/774119160.db2.gz FFCWUNCTFFOYQT-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC001218202582 774215845 /nfs/dbraw/zinc/21/58/45/774215845.db2.gz MYPJJYNLFJHSOS-AEGPPILISA-N 2 1 303.362 0.610 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199827350 774218646 /nfs/dbraw/zinc/21/86/46/774218646.db2.gz VFWBQTMMEXUJAN-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732147 774593285 /nfs/dbraw/zinc/59/32/85/774593285.db2.gz OVRZXYVCLNRVAA-ZNMIVQPWSA-N 2 1 315.433 0.794 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057613 774683845 /nfs/dbraw/zinc/68/38/45/774683845.db2.gz DQBXIXHUFHETCQ-IXDOHACOSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768460 774911246 /nfs/dbraw/zinc/91/12/46/774911246.db2.gz MZRSEIIVUDDRPK-ZNMIVQPWSA-N 2 1 313.442 0.081 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081633 774991601 /nfs/dbraw/zinc/99/16/01/774991601.db2.gz QRLCYKNKBTVEHF-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001111022904 775403808 /nfs/dbraw/zinc/40/38/08/775403808.db2.gz YEFRMVGATNWZFP-HZMVEIRTSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227798134 776009332 /nfs/dbraw/zinc/00/93/32/776009332.db2.gz SKUDQEMFGVETDA-MRXNPFEDSA-N 2 1 317.437 0.417 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114746244 776094721 /nfs/dbraw/zinc/09/47/21/776094721.db2.gz OMRRUHFHRRMEET-TTZDDIAXSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228865131 776131728 /nfs/dbraw/zinc/13/17/28/776131728.db2.gz SLQHWPJMRSQMJW-UHFFFAOYSA-N 2 1 322.453 0.211 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC001229869021 776231616 /nfs/dbraw/zinc/23/16/16/776231616.db2.gz VCBUVMGSHAAOFM-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001041167705 777104202 /nfs/dbraw/zinc/10/42/02/777104202.db2.gz PUPQRBKKOFTLTL-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167705 777104206 /nfs/dbraw/zinc/10/42/06/777104206.db2.gz PUPQRBKKOFTLTL-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167705 777104210 /nfs/dbraw/zinc/10/42/10/777104210.db2.gz PUPQRBKKOFTLTL-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167705 777104215 /nfs/dbraw/zinc/10/42/15/777104215.db2.gz PUPQRBKKOFTLTL-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001041598353 777378300 /nfs/dbraw/zinc/37/83/00/777378300.db2.gz MPWLKXLSIVWCSL-AEFFLSMTSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001041598353 777378308 /nfs/dbraw/zinc/37/83/08/777378308.db2.gz MPWLKXLSIVWCSL-AEFFLSMTSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041598353 777378315 /nfs/dbraw/zinc/37/83/15/777378315.db2.gz MPWLKXLSIVWCSL-AEFFLSMTSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041598353 777378325 /nfs/dbraw/zinc/37/83/25/777378325.db2.gz MPWLKXLSIVWCSL-AEFFLSMTSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317861139 945210760 /nfs/dbraw/zinc/21/07/60/945210760.db2.gz MRCYTUACPHFVEC-LSDHHAIUSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317861139 945210769 /nfs/dbraw/zinc/21/07/69/945210769.db2.gz MRCYTUACPHFVEC-LSDHHAIUSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317861139 945210776 /nfs/dbraw/zinc/21/07/76/945210776.db2.gz MRCYTUACPHFVEC-LSDHHAIUSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266251841 939026926 /nfs/dbraw/zinc/02/69/26/939026926.db2.gz HJRKNWXJLGJRMH-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266251841 939026928 /nfs/dbraw/zinc/02/69/28/939026928.db2.gz HJRKNWXJLGJRMH-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251841 939026930 /nfs/dbraw/zinc/02/69/30/939026930.db2.gz HJRKNWXJLGJRMH-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251841 939026932 /nfs/dbraw/zinc/02/69/32/939026932.db2.gz HJRKNWXJLGJRMH-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266488416 939132944 /nfs/dbraw/zinc/13/29/44/939132944.db2.gz IYERTZGMEMZDDK-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266488416 939132946 /nfs/dbraw/zinc/13/29/46/939132946.db2.gz IYERTZGMEMZDDK-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266488416 939132947 /nfs/dbraw/zinc/13/29/47/939132947.db2.gz IYERTZGMEMZDDK-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266488416 939132948 /nfs/dbraw/zinc/13/29/48/939132948.db2.gz IYERTZGMEMZDDK-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266488416 939132949 /nfs/dbraw/zinc/13/29/49/939132949.db2.gz IYERTZGMEMZDDK-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001266601589 939175909 /nfs/dbraw/zinc/17/59/09/939175909.db2.gz HFWBCCNXPNQAPU-QAETUUGQSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C[C@H](C)O)C2CC2)CC1 ZINC001266621572 939181814 /nfs/dbraw/zinc/18/18/14/939181814.db2.gz GKFPZQBUCYJUNB-AWEZNQCLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCn1cccn1 ZINC001267132860 939354551 /nfs/dbraw/zinc/35/45/51/939354551.db2.gz TXHOHLSUFMCBMY-CVEARBPZSA-N 2 1 317.437 0.465 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCn1cccn1 ZINC001267132860 939354553 /nfs/dbraw/zinc/35/45/53/939354553.db2.gz TXHOHLSUFMCBMY-CVEARBPZSA-N 2 1 317.437 0.465 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267246171 939402243 /nfs/dbraw/zinc/40/22/43/939402243.db2.gz SCWGBACTHQYQCI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267246171 939402245 /nfs/dbraw/zinc/40/22/45/939402245.db2.gz SCWGBACTHQYQCI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267246171 939402246 /nfs/dbraw/zinc/40/22/46/939402246.db2.gz SCWGBACTHQYQCI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267246171 939402247 /nfs/dbraw/zinc/40/22/47/939402247.db2.gz SCWGBACTHQYQCI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001267491990 939476356 /nfs/dbraw/zinc/47/63/56/939476356.db2.gz CFQNXJJYMZFKPT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267565849 939502025 /nfs/dbraw/zinc/50/20/25/939502025.db2.gz VVLJIQMWLQHOMG-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001481043694 939539629 /nfs/dbraw/zinc/53/96/29/939539629.db2.gz UYLHICWGIHEMDQ-CQSZACIVSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001481043694 939539630 /nfs/dbraw/zinc/53/96/30/939539630.db2.gz UYLHICWGIHEMDQ-CQSZACIVSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055350 939542322 /nfs/dbraw/zinc/54/23/22/939542322.db2.gz DJTNMXCLWURHLJ-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001481170139 939593266 /nfs/dbraw/zinc/59/32/66/939593266.db2.gz FYKPABJPEDCPGL-UHFFFAOYSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCOC)C1 ZINC001481435581 939789241 /nfs/dbraw/zinc/78/92/41/939789241.db2.gz PQQOHGXNGBAWDM-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCCOC)C1 ZINC001481435581 939789244 /nfs/dbraw/zinc/78/92/44/939789244.db2.gz PQQOHGXNGBAWDM-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCOC)C1 ZINC001481435581 939789247 /nfs/dbraw/zinc/78/92/47/939789247.db2.gz PQQOHGXNGBAWDM-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCOC)C1 ZINC001481435581 939789248 /nfs/dbraw/zinc/78/92/48/939789248.db2.gz PQQOHGXNGBAWDM-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001482052077 940233415 /nfs/dbraw/zinc/23/34/15/940233415.db2.gz ZPEIZQBLDAQQGD-QGZVFWFLSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001269166376 940637552 /nfs/dbraw/zinc/63/75/52/940637552.db2.gz WPPASMYSEDQRHA-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001269166376 940637553 /nfs/dbraw/zinc/63/75/53/940637553.db2.gz WPPASMYSEDQRHA-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001269166376 940637556 /nfs/dbraw/zinc/63/75/56/940637556.db2.gz WPPASMYSEDQRHA-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001269166376 940637557 /nfs/dbraw/zinc/63/75/57/940637557.db2.gz WPPASMYSEDQRHA-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269356573 940691036 /nfs/dbraw/zinc/69/10/36/940691036.db2.gz ROWCZEURHPSEKI-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001269356573 940691039 /nfs/dbraw/zinc/69/10/39/940691039.db2.gz ROWCZEURHPSEKI-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001269356573 940691041 /nfs/dbraw/zinc/69/10/41/940691041.db2.gz ROWCZEURHPSEKI-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269356573 940691042 /nfs/dbraw/zinc/69/10/42/940691042.db2.gz ROWCZEURHPSEKI-OAHLLOKOSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001269649466 940749588 /nfs/dbraw/zinc/74/95/88/940749588.db2.gz FZVPIGNFDBAQBT-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@@H+](CCOC)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001269649466 940749589 /nfs/dbraw/zinc/74/95/89/940749589.db2.gz FZVPIGNFDBAQBT-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001269649466 940749591 /nfs/dbraw/zinc/74/95/91/940749591.db2.gz FZVPIGNFDBAQBT-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001482241391 940774820 /nfs/dbraw/zinc/77/48/20/940774820.db2.gz DWSGBCMINWFDCD-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001482241391 940774823 /nfs/dbraw/zinc/77/48/23/940774823.db2.gz DWSGBCMINWFDCD-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001271767094 941447434 /nfs/dbraw/zinc/44/74/34/941447434.db2.gz ZZFPWIYNTNUPQA-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001271767094 941447436 /nfs/dbraw/zinc/44/74/36/941447436.db2.gz ZZFPWIYNTNUPQA-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001271767094 941447438 /nfs/dbraw/zinc/44/74/38/941447438.db2.gz ZZFPWIYNTNUPQA-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001271767094 941447440 /nfs/dbraw/zinc/44/74/40/941447440.db2.gz ZZFPWIYNTNUPQA-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001271953323 941490752 /nfs/dbraw/zinc/49/07/52/941490752.db2.gz AOLCUXZNVDEOOC-QGZVFWFLSA-N 2 1 307.438 0.962 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001271953323 941490753 /nfs/dbraw/zinc/49/07/53/941490753.db2.gz AOLCUXZNVDEOOC-QGZVFWFLSA-N 2 1 307.438 0.962 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#CCOC ZINC001496908225 942329357 /nfs/dbraw/zinc/32/93/57/942329357.db2.gz LZTWMPYKXQCACG-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001272617570 942870146 /nfs/dbraw/zinc/87/01/46/942870146.db2.gz XIGOGTPUZBSNBU-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](CC(N)=O)CC1 ZINC001483988450 943072836 /nfs/dbraw/zinc/07/28/36/943072836.db2.gz BPXMZCRQCYMWAA-UHFFFAOYSA-N 2 1 322.453 0.130 20 30 DCEDMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CC(N)=O)CC1 ZINC001483988450 943072844 /nfs/dbraw/zinc/07/28/44/943072844.db2.gz BPXMZCRQCYMWAA-UHFFFAOYSA-N 2 1 322.453 0.130 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001484856112 943602016 /nfs/dbraw/zinc/60/20/16/943602016.db2.gz NYPQSYOFOUGSIQ-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001485571986 944003480 /nfs/dbraw/zinc/00/34/80/944003480.db2.gz QDVUEKVUKNPAGU-OAHLLOKOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001485571986 944003485 /nfs/dbraw/zinc/00/34/85/944003485.db2.gz QDVUEKVUKNPAGU-OAHLLOKOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001272871540 944292586 /nfs/dbraw/zinc/29/25/86/944292586.db2.gz XHSKAOBIKSFRJA-SFHVURJKSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001272871540 944292593 /nfs/dbraw/zinc/29/25/93/944292593.db2.gz XHSKAOBIKSFRJA-SFHVURJKSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001486027913 944509025 /nfs/dbraw/zinc/50/90/25/944509025.db2.gz QDSRZZYQSALSTC-GOEBONIOSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001276995717 944622799 /nfs/dbraw/zinc/62/27/99/944622799.db2.gz NILJAXVJQSPDKN-ULQDDVLXSA-N 2 1 317.433 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001276995717 944622805 /nfs/dbraw/zinc/62/28/05/944622805.db2.gz NILJAXVJQSPDKN-ULQDDVLXSA-N 2 1 317.433 0.218 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001317416293 944961470 /nfs/dbraw/zinc/96/14/70/944961470.db2.gz TWBQWVHXCDWLPF-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001277825569 944995982 /nfs/dbraw/zinc/99/59/82/944995982.db2.gz DICILOGZOAFENV-IUODEOHRSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001277825569 944995986 /nfs/dbraw/zinc/99/59/86/944995986.db2.gz DICILOGZOAFENV-IUODEOHRSA-N 2 1 303.410 0.860 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246307205 945380374 /nfs/dbraw/zinc/38/03/74/945380374.db2.gz KHBQTMSFMPEZHS-KGLIPLIRSA-N 3 1 311.426 0.324 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCOC(C)C ZINC001319473933 945596884 /nfs/dbraw/zinc/59/68/84/945596884.db2.gz WCWRKKWIHWZYJO-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCOC(C)C ZINC001319473933 945596888 /nfs/dbraw/zinc/59/68/88/945596888.db2.gz WCWRKKWIHWZYJO-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCOC ZINC001324175469 947341126 /nfs/dbraw/zinc/34/11/26/947341126.db2.gz NSDRMGQPVQMGLC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCOC ZINC001324175469 947341140 /nfs/dbraw/zinc/34/11/40/947341140.db2.gz NSDRMGQPVQMGLC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001261552381 947348185 /nfs/dbraw/zinc/34/81/85/947348185.db2.gz QISRCFUMDWEGES-QWHCGFSZSA-N 2 1 304.398 0.304 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001325099084 947652234 /nfs/dbraw/zinc/65/22/34/947652234.db2.gz VHFTWQSKESDCMF-DOTOQJQBSA-N 2 1 307.438 0.457 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC#CCOC)C2 ZINC001325351733 947765033 /nfs/dbraw/zinc/76/50/33/947765033.db2.gz NSFAAZJYYFZECU-BBWFWOEESA-N 2 1 321.465 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC#CCOC)C2 ZINC001325351733 947765036 /nfs/dbraw/zinc/76/50/36/947765036.db2.gz NSFAAZJYYFZECU-BBWFWOEESA-N 2 1 321.465 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC#CCOC)C2 ZINC001325351733 947765040 /nfs/dbraw/zinc/76/50/40/947765040.db2.gz NSFAAZJYYFZECU-BBWFWOEESA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001325861753 947957564 /nfs/dbraw/zinc/95/75/64/947957564.db2.gz VBEYCQMWHJIZGE-ZBFHGGJFSA-N 2 1 306.410 0.963 20 30 DCEDMP C=CCN1CCC[C@](CO)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001325861753 947957572 /nfs/dbraw/zinc/95/75/72/947957572.db2.gz VBEYCQMWHJIZGE-ZBFHGGJFSA-N 2 1 306.410 0.963 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001325864734 947958385 /nfs/dbraw/zinc/95/83/85/947958385.db2.gz HXQBMTNLMUWMHB-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001325864734 947958390 /nfs/dbraw/zinc/95/83/90/947958390.db2.gz HXQBMTNLMUWMHB-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP C=CCN1CC[C@@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001273728297 948052083 /nfs/dbraw/zinc/05/20/83/948052083.db2.gz LAPCVTAWCAELPT-SFHVURJKSA-N 2 1 320.481 0.877 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)C[C@H]1CCOC1 ZINC001327212940 948423342 /nfs/dbraw/zinc/42/33/42/948423342.db2.gz KUAFJLXPSXQEQV-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)C[C@H]1CCOC1 ZINC001327212940 948423345 /nfs/dbraw/zinc/42/33/45/948423345.db2.gz KUAFJLXPSXQEQV-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C[C@H]1CCOC1 ZINC001327212940 948423349 /nfs/dbraw/zinc/42/33/49/948423349.db2.gz KUAFJLXPSXQEQV-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C[C@H]1CCOC1 ZINC001327212940 948423354 /nfs/dbraw/zinc/42/33/54/948423354.db2.gz KUAFJLXPSXQEQV-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)O2 ZINC001327365144 948479460 /nfs/dbraw/zinc/47/94/60/948479460.db2.gz QXEJTINBXKSONR-HZPDHXFCSA-N 2 1 321.465 0.946 20 30 DCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001327602882 948566521 /nfs/dbraw/zinc/56/65/21/948566521.db2.gz IPAOMGUYTKQSGU-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264611676 949023469 /nfs/dbraw/zinc/02/34/69/949023469.db2.gz QQKSJKBWTBOPGP-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001264708828 949085896 /nfs/dbraw/zinc/08/58/96/949085896.db2.gz VATLYLJMDXSHSQ-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CC#CCOC ZINC001489134087 949533364 /nfs/dbraw/zinc/53/33/64/949533364.db2.gz ZLDFXJYRWMTAMC-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CC#CCOC ZINC001489134087 949533376 /nfs/dbraw/zinc/53/33/76/949533376.db2.gz ZLDFXJYRWMTAMC-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CC#CCOC ZINC001489134087 949533395 /nfs/dbraw/zinc/53/33/95/949533395.db2.gz ZLDFXJYRWMTAMC-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001489288814 949668651 /nfs/dbraw/zinc/66/86/51/949668651.db2.gz NKMOZTRUAPIDSJ-OWCLPIDISA-N 2 1 309.454 0.801 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001489288814 949668665 /nfs/dbraw/zinc/66/86/65/949668665.db2.gz NKMOZTRUAPIDSJ-OWCLPIDISA-N 2 1 309.454 0.801 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001265544305 949760231 /nfs/dbraw/zinc/76/02/31/949760231.db2.gz HFWBCCNXPNQAPU-VVLHAWIVSA-N 2 1 319.449 0.890 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001265596773 949800432 /nfs/dbraw/zinc/80/04/32/949800432.db2.gz KAAAIFRUMMPIIB-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265596773 949800456 /nfs/dbraw/zinc/80/04/56/949800456.db2.gz KAAAIFRUMMPIIB-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265596773 949800480 /nfs/dbraw/zinc/80/04/80/949800480.db2.gz KAAAIFRUMMPIIB-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265655653 949850589 /nfs/dbraw/zinc/85/05/89/949850589.db2.gz MKUQEUPXYQKVRD-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265655653 949850608 /nfs/dbraw/zinc/85/06/08/949850608.db2.gz MKUQEUPXYQKVRD-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001265655653 949850632 /nfs/dbraw/zinc/85/06/32/949850632.db2.gz MKUQEUPXYQKVRD-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265655653 949850654 /nfs/dbraw/zinc/85/06/54/949850654.db2.gz MKUQEUPXYQKVRD-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265975633 950222806 /nfs/dbraw/zinc/22/28/06/950222806.db2.gz DCUPSDZQNDXBTE-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265979307 950227933 /nfs/dbraw/zinc/22/79/33/950227933.db2.gz IWTRCNMMDMYBRW-QLFBSQMISA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265983020 950229023 /nfs/dbraw/zinc/22/90/23/950229023.db2.gz LKJIIOHEWRDXFJ-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001279830573 950705877 /nfs/dbraw/zinc/70/58/77/950705877.db2.gz GJJRQGPCHSHTMM-OAHLLOKOSA-N 2 1 318.421 0.188 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001490579726 950897058 /nfs/dbraw/zinc/89/70/58/950897058.db2.gz UIGIFJVSUGIFCB-OAHLLOKOSA-N 2 1 322.453 0.355 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001490579726 950897074 /nfs/dbraw/zinc/89/70/74/950897074.db2.gz UIGIFJVSUGIFCB-OAHLLOKOSA-N 2 1 322.453 0.355 20 30 DCEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001331144551 950955066 /nfs/dbraw/zinc/95/50/66/950955066.db2.gz KDBUCPNEASLYMM-HNNXBMFYSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001331144551 950955078 /nfs/dbraw/zinc/95/50/78/950955078.db2.gz KDBUCPNEASLYMM-HNNXBMFYSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CC[NH2+][C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001490722277 951034806 /nfs/dbraw/zinc/03/48/06/951034806.db2.gz JWYIJEPDPTVDMU-MRXNPFEDSA-N 2 1 309.373 0.999 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001331439008 951118580 /nfs/dbraw/zinc/11/85/80/951118580.db2.gz LNSLIKJAUBIPEV-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001331629465 951206248 /nfs/dbraw/zinc/20/62/48/951206248.db2.gz CGOGZPNHYPWSFQ-CHWSQXEVSA-N 2 1 321.425 0.319 20 30 DCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001331786962 951320656 /nfs/dbraw/zinc/32/06/56/951320656.db2.gz FGWPZOZAZWLUQQ-CYBMUJFWSA-N 2 1 322.409 0.527 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001281676990 951596226 /nfs/dbraw/zinc/59/62/26/951596226.db2.gz SDKMGSPVSDRYRX-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274614348 951739267 /nfs/dbraw/zinc/73/92/67/951739267.db2.gz FLVAPXNWGZIKTR-IAGOWNOFSA-N 2 1 323.437 0.326 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001274663255 951773064 /nfs/dbraw/zinc/77/30/64/951773064.db2.gz SXUSHYQQJAINKN-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001275729037 952410873 /nfs/dbraw/zinc/41/08/73/952410873.db2.gz JKPOVHUIZQRCEX-DZGCQCFKSA-N 2 1 322.453 0.032 20 30 DCEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001343474302 953348307 /nfs/dbraw/zinc/34/83/07/953348307.db2.gz UVAFAOIYIMDVIV-SOUVJXGZSA-N 2 1 308.426 0.455 20 30 DCEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2C#N)C1 ZINC001448948018 1014105214 /nfs/dbraw/zinc/10/52/14/1014105214.db2.gz DGDJNKZYYQASIP-JKSUJKDBSA-N 2 1 316.405 0.077 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2C#N)C1 ZINC001448948018 1014105216 /nfs/dbraw/zinc/10/52/16/1014105216.db2.gz DGDJNKZYYQASIP-JKSUJKDBSA-N 2 1 316.405 0.077 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001394655535 993977022 /nfs/dbraw/zinc/97/70/22/993977022.db2.gz ITYRZCVQJNBCSO-RYUDHWBXSA-N 2 1 322.434 0.138 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507029732 1015903110 /nfs/dbraw/zinc/90/31/10/1015903110.db2.gz YYJPVDAHPQOAJF-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001401153686 1000233900 /nfs/dbraw/zinc/23/39/00/1000233900.db2.gz VTARKWNYPVWNRL-WCQYABFASA-N 2 1 303.834 0.802 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001401153686 1000233906 /nfs/dbraw/zinc/23/39/06/1000233906.db2.gz VTARKWNYPVWNRL-WCQYABFASA-N 2 1 303.834 0.802 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]C/C=C/Cl ZINC001507484965 1016397615 /nfs/dbraw/zinc/39/76/15/1016397615.db2.gz NXPUBYFFYBCRBM-UMGRQFOVSA-N 2 1 313.829 0.245 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]C/C=C/Cl ZINC001507484965 1016397626 /nfs/dbraw/zinc/39/76/26/1016397626.db2.gz NXPUBYFFYBCRBM-UMGRQFOVSA-N 2 1 313.829 0.245 20 30 DCEDMP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001403687710 1002352503 /nfs/dbraw/zinc/35/25/03/1002352503.db2.gz VWQZGSIQVYRMPE-JKSUJKDBSA-N 2 1 318.421 0.465 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001506747926 1017503987 /nfs/dbraw/zinc/50/39/87/1017503987.db2.gz VFFMTPMMNBCVMV-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001506747926 1017503998 /nfs/dbraw/zinc/50/39/98/1017503998.db2.gz VFFMTPMMNBCVMV-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001506747926 1017504009 /nfs/dbraw/zinc/50/40/09/1017504009.db2.gz VFFMTPMMNBCVMV-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001506747926 1017504019 /nfs/dbraw/zinc/50/40/19/1017504019.db2.gz VFFMTPMMNBCVMV-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001479724722 1017678775 /nfs/dbraw/zinc/67/87/75/1017678775.db2.gz NKDVZAABXDWINV-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001479724722 1017678779 /nfs/dbraw/zinc/67/87/79/1017678779.db2.gz NKDVZAABXDWINV-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001500076759 1018206828 /nfs/dbraw/zinc/20/68/28/1018206828.db2.gz KQBPACMYOMUPMN-HZPDHXFCSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001500076759 1018206835 /nfs/dbraw/zinc/20/68/35/1018206835.db2.gz KQBPACMYOMUPMN-HZPDHXFCSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001497578860 1018244115 /nfs/dbraw/zinc/24/41/15/1018244115.db2.gz KUIJFZSNYXIAGR-DWTRPJMMSA-N 2 1 307.438 0.771 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500257331 1018355659 /nfs/dbraw/zinc/35/56/59/1018355659.db2.gz JOTCKVVFKUHBSI-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500257331 1018355671 /nfs/dbraw/zinc/35/56/71/1018355671.db2.gz JOTCKVVFKUHBSI-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500257331 1018355684 /nfs/dbraw/zinc/35/56/84/1018355684.db2.gz JOTCKVVFKUHBSI-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500257331 1018355696 /nfs/dbraw/zinc/35/56/96/1018355696.db2.gz JOTCKVVFKUHBSI-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001480368144 1018469794 /nfs/dbraw/zinc/46/97/94/1018469794.db2.gz WJXIFIRBLLAUPN-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001500519035 1018481237 /nfs/dbraw/zinc/48/12/37/1018481237.db2.gz JEAVJPLGZTZUGN-QGZVFWFLSA-N 2 1 324.469 0.459 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001500519035 1018481243 /nfs/dbraw/zinc/48/12/43/1018481243.db2.gz JEAVJPLGZTZUGN-QGZVFWFLSA-N 2 1 324.469 0.459 20 30 DCEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001500686803 1018580847 /nfs/dbraw/zinc/58/08/47/1018580847.db2.gz LVKZWKUNHDEQOF-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001500686803 1018580860 /nfs/dbraw/zinc/58/08/60/1018580860.db2.gz LVKZWKUNHDEQOF-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001500686803 1018580869 /nfs/dbraw/zinc/58/08/69/1018580869.db2.gz LVKZWKUNHDEQOF-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001501331560 1019063756 /nfs/dbraw/zinc/06/37/56/1019063756.db2.gz KSUGJRBYXIXISM-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001501331560 1019063774 /nfs/dbraw/zinc/06/37/74/1019063774.db2.gz KSUGJRBYXIXISM-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001501331560 1019063790 /nfs/dbraw/zinc/06/37/90/1019063790.db2.gz KSUGJRBYXIXISM-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CCCOC1 ZINC001493580856 1019537050 /nfs/dbraw/zinc/53/70/50/1019537050.db2.gz XIWAGQJFRPWUIG-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CCCOC1 ZINC001493580856 1019537061 /nfs/dbraw/zinc/53/70/61/1019537061.db2.gz XIWAGQJFRPWUIG-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001496915172 1019759521 /nfs/dbraw/zinc/75/95/21/1019759521.db2.gz XDCIKCJMHQOFRE-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001496921685 1019762820 /nfs/dbraw/zinc/76/28/20/1019762820.db2.gz AGOCKMHTXRMXSR-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC#CCOC)C1 ZINC001494169344 1020040904 /nfs/dbraw/zinc/04/09/04/1020040904.db2.gz IVJHCTGJCNLRLO-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC#CCOC)C1 ZINC001494169344 1020040912 /nfs/dbraw/zinc/04/09/12/1020040912.db2.gz IVJHCTGJCNLRLO-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC#CCOC)C1 ZINC001494169344 1020040925 /nfs/dbraw/zinc/04/09/25/1020040925.db2.gz IVJHCTGJCNLRLO-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cn2ccccc2n1 ZINC000264084408 238190097 /nfs/dbraw/zinc/19/00/97/238190097.db2.gz JJUBHAZUINMBQF-UHFFFAOYSA-N 2 1 316.409 0.461 20 30 DCEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000262256843 532965547 /nfs/dbraw/zinc/96/55/47/532965547.db2.gz CWFZLCJSCNVQTR-HNNXBMFYSA-N 2 1 308.382 0.497 20 30 DCEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000267396510 396355995 /nfs/dbraw/zinc/35/59/95/396355995.db2.gz FAGYQSAFBHMAOP-UHFFFAOYSA-N 2 1 322.457 0.598 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@H](CCOC)C2)CC1 ZINC000490986793 397498943 /nfs/dbraw/zinc/49/89/43/397498943.db2.gz VMSFROXEODRNPW-QGZVFWFLSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC000490924501 397499068 /nfs/dbraw/zinc/49/90/68/397499068.db2.gz QAHDVFQBOANIHH-QGZVFWFLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000491120723 397500191 /nfs/dbraw/zinc/50/01/91/397500191.db2.gz NARYLHXTTJFTIS-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343774405 415720984 /nfs/dbraw/zinc/72/09/84/415720984.db2.gz XFNHXADRSJRDIL-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723974 416086768 /nfs/dbraw/zinc/08/67/68/416086768.db2.gz QQNUWILEPBWAES-OAHLLOKOSA-N 2 1 309.458 0.316 20 30 DCEDMP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[N@H+](C)C1 ZINC000329197299 416157147 /nfs/dbraw/zinc/15/71/47/416157147.db2.gz UDHYBDGHISLQTE-RDBSUJKOSA-N 2 1 321.425 0.763 20 30 DCEDMP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[N@@H+](C)C1 ZINC000329197299 416157148 /nfs/dbraw/zinc/15/71/48/416157148.db2.gz UDHYBDGHISLQTE-RDBSUJKOSA-N 2 1 321.425 0.763 20 30 DCEDMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000329329302 416163856 /nfs/dbraw/zinc/16/38/56/416163856.db2.gz YINCZVPXXCPYQD-ZFWWWQNUSA-N 2 1 310.442 0.861 20 30 DCEDMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000329329302 416163859 /nfs/dbraw/zinc/16/38/59/416163859.db2.gz YINCZVPXXCPYQD-ZFWWWQNUSA-N 2 1 310.442 0.861 20 30 DCEDMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000329329302 416163865 /nfs/dbraw/zinc/16/38/65/416163865.db2.gz YINCZVPXXCPYQD-ZFWWWQNUSA-N 2 1 310.442 0.861 20 30 DCEDMP C#CCNC(=O)CC[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000491536574 416603896 /nfs/dbraw/zinc/60/38/96/416603896.db2.gz KTXGDWVJMNDYDY-UHFFFAOYSA-N 2 1 315.421 0.791 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)CC1 ZINC000491040032 416582662 /nfs/dbraw/zinc/58/26/62/416582662.db2.gz RTJJGNYFLUCUAF-DOTOQJQBSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)CC1 ZINC000491040038 416582771 /nfs/dbraw/zinc/58/27/71/416582771.db2.gz RTJJGNYFLUCUAF-WBVHZDCISA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCNC(=O)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000491155003 416586549 /nfs/dbraw/zinc/58/65/49/416586549.db2.gz OBSZVPUODSUQHJ-IYBDPMFKSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000491767069 416624807 /nfs/dbraw/zinc/62/48/07/416624807.db2.gz GDAXXUMTBLGEBM-GASCZTMLSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000491767069 416624811 /nfs/dbraw/zinc/62/48/11/416624811.db2.gz GDAXXUMTBLGEBM-GASCZTMLSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000491767069 416624813 /nfs/dbraw/zinc/62/48/13/416624813.db2.gz GDAXXUMTBLGEBM-GASCZTMLSA-N 2 1 310.442 0.038 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636743102 416850149 /nfs/dbraw/zinc/85/01/49/416850149.db2.gz VOYMNVVIMGNXIY-HNNXBMFYSA-N 2 1 310.442 0.393 20 30 DCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@H]1C ZINC000329852072 278289770 /nfs/dbraw/zinc/28/97/70/278289770.db2.gz RFWGXPBOWPMKRR-HZSPNIEDSA-N 2 1 310.442 0.524 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C ZINC000329852072 278289772 /nfs/dbraw/zinc/28/97/72/278289772.db2.gz RFWGXPBOWPMKRR-HZSPNIEDSA-N 2 1 310.442 0.524 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1C ZINC000329852072 278289774 /nfs/dbraw/zinc/28/97/74/278289774.db2.gz RFWGXPBOWPMKRR-HZSPNIEDSA-N 2 1 310.442 0.524 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001280823591 1159088488 /nfs/dbraw/zinc/08/84/88/1159088488.db2.gz WGUDXYNSBHPIAJ-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)C[C@@H](C)O)CC1 ZINC001570218498 1159210467 /nfs/dbraw/zinc/21/04/67/1159210467.db2.gz VNHRIOXXGGSJSS-OAHLLOKOSA-N 2 1 309.454 0.493 20 30 DCEDMP C[C@@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccco1 ZINC000267405077 333983241 /nfs/dbraw/zinc/98/32/41/333983241.db2.gz GTDOEVNBHVHQMD-OAHLLOKOSA-N 2 1 310.398 0.114 20 30 DCEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000329919442 336095214 /nfs/dbraw/zinc/09/52/14/336095214.db2.gz DGPJTRVGMWQTMC-CQSZACIVSA-N 2 1 311.474 0.610 20 30 DCEDMP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000177484942 533925363 /nfs/dbraw/zinc/92/53/63/533925363.db2.gz PKEVWKJHGVGZBB-GJZGRUSLSA-N 2 1 322.453 0.837 20 30 DCEDMP C[NH+]=C(NCC1(O)CCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261713975 526352011 /nfs/dbraw/zinc/35/20/11/526352011.db2.gz KFLIKKLLMBAPQL-CQSZACIVSA-N 2 1 310.442 0.131 20 30 DCEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261745850 526353995 /nfs/dbraw/zinc/35/39/95/526353995.db2.gz LGZATRXPAUCDFC-HNNXBMFYSA-N 2 1 320.441 0.463 20 30 DCEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261745850 526353999 /nfs/dbraw/zinc/35/39/99/526353999.db2.gz LGZATRXPAUCDFC-HNNXBMFYSA-N 2 1 320.441 0.463 20 30 DCEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262307398 527383190 /nfs/dbraw/zinc/38/31/90/527383190.db2.gz OYHZVRMZOLGRPZ-TZMCWYRMSA-N 2 1 309.458 0.501 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC001671491997 1175016360 /nfs/dbraw/zinc/01/63/60/1175016360.db2.gz NTRCHJLCXDUQFK-UHFFFAOYSA-N 2 1 323.481 0.883 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001671604243 1175022336 /nfs/dbraw/zinc/02/23/36/1175022336.db2.gz XWLDMYXQKVTQKD-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001671604243 1175022341 /nfs/dbraw/zinc/02/23/41/1175022341.db2.gz XWLDMYXQKVTQKD-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001671604243 1175022351 /nfs/dbraw/zinc/02/23/51/1175022351.db2.gz XWLDMYXQKVTQKD-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979076647 660655979 /nfs/dbraw/zinc/65/59/79/660655979.db2.gz ZGUQALYRKBZNJC-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979076647 660655980 /nfs/dbraw/zinc/65/59/80/660655980.db2.gz ZGUQALYRKBZNJC-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979076647 660655981 /nfs/dbraw/zinc/65/59/81/660655981.db2.gz ZGUQALYRKBZNJC-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979076647 660655982 /nfs/dbraw/zinc/65/59/82/660655982.db2.gz ZGUQALYRKBZNJC-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027890320 660889227 /nfs/dbraw/zinc/88/92/27/660889227.db2.gz WYLWRSCLFYPUTP-HNNXBMFYSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036824 661093608 /nfs/dbraw/zinc/09/36/08/661093608.db2.gz IAACDTXKKKRTHO-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036824 661093612 /nfs/dbraw/zinc/09/36/12/661093612.db2.gz IAACDTXKKKRTHO-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036824 661093613 /nfs/dbraw/zinc/09/36/13/661093613.db2.gz IAACDTXKKKRTHO-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981784725 661216564 /nfs/dbraw/zinc/21/65/64/661216564.db2.gz PTAOWHVWRYWTHW-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981784725 661216566 /nfs/dbraw/zinc/21/65/66/661216566.db2.gz PTAOWHVWRYWTHW-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981784725 661216568 /nfs/dbraw/zinc/21/65/68/661216568.db2.gz PTAOWHVWRYWTHW-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028192231 661269168 /nfs/dbraw/zinc/26/91/68/661269168.db2.gz GQQIFHBQPFQASL-OAHLLOKOSA-N 2 1 305.426 0.825 20 30 DCEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244450 657490127 /nfs/dbraw/zinc/49/01/27/657490127.db2.gz HTBOAWYYBIHDDU-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023450125 657881225 /nfs/dbraw/zinc/88/12/25/657881225.db2.gz FDLQHNPMKYBKJG-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023450125 657881229 /nfs/dbraw/zinc/88/12/29/657881229.db2.gz FDLQHNPMKYBKJG-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450125 657881235 /nfs/dbraw/zinc/88/12/35/657881235.db2.gz FDLQHNPMKYBKJG-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450125 657881238 /nfs/dbraw/zinc/88/12/38/657881238.db2.gz FDLQHNPMKYBKJG-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970191008 658717273 /nfs/dbraw/zinc/71/72/73/658717273.db2.gz PVLWLHKHTJQNLO-DFFOAJLQSA-N 2 1 317.433 0.309 20 30 DCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999356195 665631344 /nfs/dbraw/zinc/63/13/44/665631344.db2.gz YRKSNAIJVCAUQF-JKSUJKDBSA-N 2 1 319.453 0.970 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]12 ZINC001026297454 659136163 /nfs/dbraw/zinc/13/61/63/659136163.db2.gz DPEMJZQCQSAPPN-VHDGCEQUSA-N 2 1 316.405 0.810 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999728721 665677522 /nfs/dbraw/zinc/67/75/22/665677522.db2.gz SVSSYSLTERZQTG-AWEZNQCLSA-N 2 1 300.406 0.976 20 30 DCEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027441832 659482625 /nfs/dbraw/zinc/48/26/25/659482625.db2.gz XBCXJEMQJLBBIK-HOTGVXAUSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027441832 659482627 /nfs/dbraw/zinc/48/26/27/659482627.db2.gz XBCXJEMQJLBBIK-HOTGVXAUSA-N 2 1 319.453 0.922 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724860 659642395 /nfs/dbraw/zinc/64/23/95/659642395.db2.gz QEUYZIMZVNWACX-RBSFLKMASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724860 659642397 /nfs/dbraw/zinc/64/23/97/659642397.db2.gz QEUYZIMZVNWACX-RBSFLKMASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724860 659642398 /nfs/dbraw/zinc/64/23/98/659642398.db2.gz QEUYZIMZVNWACX-RBSFLKMASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724860 659642403 /nfs/dbraw/zinc/64/24/03/659642403.db2.gz QEUYZIMZVNWACX-RBSFLKMASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC#C)C[C@]2(C)C1 ZINC000982298710 661344816 /nfs/dbraw/zinc/34/48/16/661344816.db2.gz LAQAHQOWUVFQFA-YTQUADARSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC#C)C[C@]2(C)C1 ZINC000982298710 661344820 /nfs/dbraw/zinc/34/48/20/661344820.db2.gz LAQAHQOWUVFQFA-YTQUADARSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C[C@@]2(C)C1 ZINC000982298710 661344823 /nfs/dbraw/zinc/34/48/23/661344823.db2.gz LAQAHQOWUVFQFA-YTQUADARSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C[C@@]2(C)C1 ZINC000982298710 661344825 /nfs/dbraw/zinc/34/48/25/661344825.db2.gz LAQAHQOWUVFQFA-YTQUADARSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](CC)CN2CCOCC2)C1 ZINC000924034914 661390436 /nfs/dbraw/zinc/39/04/36/661390436.db2.gz GFDHOCNKCWLAKW-CVEARBPZSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982557119 661566600 /nfs/dbraw/zinc/56/66/00/661566600.db2.gz KLVCGEBFSPPDGL-CIRFHOKZSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982557119 661566602 /nfs/dbraw/zinc/56/66/02/661566602.db2.gz KLVCGEBFSPPDGL-CIRFHOKZSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028767415 661815508 /nfs/dbraw/zinc/81/55/08/661815508.db2.gz NERFRATVBSPPCY-HUUCEWRRSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028767415 661815510 /nfs/dbraw/zinc/81/55/10/661815510.db2.gz NERFRATVBSPPCY-HUUCEWRRSA-N 2 1 300.406 0.825 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648014 665822113 /nfs/dbraw/zinc/82/21/13/665822113.db2.gz VMBBOIMNOXSHSO-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@H](C)O)CC2)CC1 ZINC000989735105 662974907 /nfs/dbraw/zinc/97/49/07/662974907.db2.gz SWORSFHGKAZSTG-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042756445 663076554 /nfs/dbraw/zinc/07/65/54/663076554.db2.gz PXIDYFLTGGQKDE-GOEBONIOSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042756445 663076555 /nfs/dbraw/zinc/07/65/55/663076555.db2.gz PXIDYFLTGGQKDE-GOEBONIOSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941230747 665946178 /nfs/dbraw/zinc/94/61/78/665946178.db2.gz JYYNPUZUSIILAB-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941230747 665946179 /nfs/dbraw/zinc/94/61/79/665946179.db2.gz JYYNPUZUSIILAB-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230747 665946181 /nfs/dbraw/zinc/94/61/81/665946181.db2.gz JYYNPUZUSIILAB-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230747 665946182 /nfs/dbraw/zinc/94/61/82/665946182.db2.gz JYYNPUZUSIILAB-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941444065 665995656 /nfs/dbraw/zinc/99/56/56/665995656.db2.gz CGCJPUCBXAAWMG-KRWDZBQOSA-N 2 1 320.481 0.424 20 30 DCEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000918882811 665187761 /nfs/dbraw/zinc/18/77/61/665187761.db2.gz NWFNBOBBRCUNJS-CQSZACIVSA-N 2 1 304.438 0.962 20 30 DCEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997870163 665356069 /nfs/dbraw/zinc/35/60/69/665356069.db2.gz HGYRJSOVKZSLLB-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997870163 665356071 /nfs/dbraw/zinc/35/60/71/665356071.db2.gz HGYRJSOVKZSLLB-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001691085359 1157575466 /nfs/dbraw/zinc/57/54/66/1157575466.db2.gz DKSWSTJTXGSFIL-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941436905 665998272 /nfs/dbraw/zinc/99/82/72/665998272.db2.gz KXOBSRXMAIVWFS-QGZVFWFLSA-N 2 1 320.481 0.731 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941566674 666023723 /nfs/dbraw/zinc/02/37/23/666023723.db2.gz JAKMHPFEEHYCJW-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941566674 666023726 /nfs/dbraw/zinc/02/37/26/666023726.db2.gz JAKMHPFEEHYCJW-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566335 666023821 /nfs/dbraw/zinc/02/38/21/666023821.db2.gz BWONDPABOYTDBD-OAHLLOKOSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566335 666023823 /nfs/dbraw/zinc/02/38/23/666023823.db2.gz BWONDPABOYTDBD-OAHLLOKOSA-N 2 1 306.454 0.485 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665109 666040823 /nfs/dbraw/zinc/04/08/23/666040823.db2.gz BUFFSMMMNPEEBR-OAHLLOKOSA-N 2 1 306.454 0.343 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665109 666040824 /nfs/dbraw/zinc/04/08/24/666040824.db2.gz BUFFSMMMNPEEBR-OAHLLOKOSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665525 666040898 /nfs/dbraw/zinc/04/08/98/666040898.db2.gz HXBLHDNAGHUGGN-OAHLLOKOSA-N 2 1 306.454 0.343 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001001461621 666054584 /nfs/dbraw/zinc/05/45/84/666054584.db2.gz LXWUZMBXLPQANV-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001461621 666054586 /nfs/dbraw/zinc/05/45/86/666054586.db2.gz LXWUZMBXLPQANV-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001461621 666054588 /nfs/dbraw/zinc/05/45/88/666054588.db2.gz LXWUZMBXLPQANV-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001461621 666054590 /nfs/dbraw/zinc/05/45/90/666054590.db2.gz LXWUZMBXLPQANV-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#C)C[C@H]2C)CC1 ZINC000945184203 666580646 /nfs/dbraw/zinc/58/06/46/666580646.db2.gz VNFOIZLXVAXIOP-NVXWUHKLSA-N 2 1 301.434 0.791 20 30 DCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000083125494 666628637 /nfs/dbraw/zinc/62/86/37/666628637.db2.gz CPIQUOXAFPPVRG-OAHLLOKOSA-N 2 1 322.501 0.026 20 30 DCEDMP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083125494 666628641 /nfs/dbraw/zinc/62/86/41/666628641.db2.gz CPIQUOXAFPPVRG-OAHLLOKOSA-N 3 1 322.501 0.026 20 30 DCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083125494 666628644 /nfs/dbraw/zinc/62/86/44/666628644.db2.gz CPIQUOXAFPPVRG-OAHLLOKOSA-N 3 1 322.501 0.026 20 30 DCEDMP C[NH+]=C(NCCN1CCC[NH+](C)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083125494 666628647 /nfs/dbraw/zinc/62/86/47/666628647.db2.gz CPIQUOXAFPPVRG-OAHLLOKOSA-N 3 1 322.501 0.026 20 30 DCEDMP C[NH+]=C(NCCN1CCC[NH+](C)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083125494 666628650 /nfs/dbraw/zinc/62/86/50/666628650.db2.gz CPIQUOXAFPPVRG-OAHLLOKOSA-N 3 1 322.501 0.026 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779116 666651332 /nfs/dbraw/zinc/65/13/32/666651332.db2.gz GWIWBQAKACXPAV-NCOADZHNSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779116 666651335 /nfs/dbraw/zinc/65/13/35/666651335.db2.gz GWIWBQAKACXPAV-NCOADZHNSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779116 666651337 /nfs/dbraw/zinc/65/13/37/666651337.db2.gz GWIWBQAKACXPAV-NCOADZHNSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069670 666737277 /nfs/dbraw/zinc/73/72/77/666737277.db2.gz KLHMMWUNYRVABR-QRHJNKNDSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCOC1 ZINC001034963206 667204248 /nfs/dbraw/zinc/20/42/48/667204248.db2.gz SVVWCASNWQNQEA-ZACQAIPSSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCOC1 ZINC001034963206 667204251 /nfs/dbraw/zinc/20/42/51/667204251.db2.gz SVVWCASNWQNQEA-ZACQAIPSSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035724607 667404142 /nfs/dbraw/zinc/40/41/42/667404142.db2.gz LEKRMYOIVKHXEE-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035724607 667404143 /nfs/dbraw/zinc/40/41/43/667404143.db2.gz LEKRMYOIVKHXEE-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC000884208350 667499288 /nfs/dbraw/zinc/49/92/88/667499288.db2.gz XQENAHQXACRPJK-VXSWHIBVSA-N 2 1 318.421 0.105 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C2(CCOC)CC[NH+](C)CC2)C1 ZINC000923555855 667563037 /nfs/dbraw/zinc/56/30/37/667563037.db2.gz SRWRUIYLJJXMIL-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2(CCOC)CC[NH+](C)CC2)C1 ZINC000923555855 667563039 /nfs/dbraw/zinc/56/30/39/667563039.db2.gz SRWRUIYLJJXMIL-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000747568418 667906929 /nfs/dbraw/zinc/90/69/29/667906929.db2.gz VDKQGORVTHSFPL-VVLHAWIVSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000747568418 667906930 /nfs/dbraw/zinc/90/69/30/667906930.db2.gz VDKQGORVTHSFPL-VVLHAWIVSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000890363431 668120313 /nfs/dbraw/zinc/12/03/13/668120313.db2.gz ONPWRUQNFKTUKX-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000890363431 668120314 /nfs/dbraw/zinc/12/03/14/668120314.db2.gz ONPWRUQNFKTUKX-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000890363431 668120315 /nfs/dbraw/zinc/12/03/15/668120315.db2.gz ONPWRUQNFKTUKX-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000890363431 668120316 /nfs/dbraw/zinc/12/03/16/668120316.db2.gz ONPWRUQNFKTUKX-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000890371193 668123685 /nfs/dbraw/zinc/12/36/85/668123685.db2.gz OQPHRXGDZFXLGP-GOEBONIOSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000890371193 668123687 /nfs/dbraw/zinc/12/36/87/668123687.db2.gz OQPHRXGDZFXLGP-GOEBONIOSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000890371193 668123688 /nfs/dbraw/zinc/12/36/88/668123688.db2.gz OQPHRXGDZFXLGP-GOEBONIOSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000890371193 668123690 /nfs/dbraw/zinc/12/36/90/668123690.db2.gz OQPHRXGDZFXLGP-GOEBONIOSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#C)[C@H](C)C2)CC1 ZINC000948070190 670053456 /nfs/dbraw/zinc/05/34/56/670053456.db2.gz NNTUHTKZBJWUDA-NVXWUHKLSA-N 2 1 301.434 0.934 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948268941 670091030 /nfs/dbraw/zinc/09/10/30/670091030.db2.gz HVGKDGUCXFISSA-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948268941 670091035 /nfs/dbraw/zinc/09/10/35/670091035.db2.gz HVGKDGUCXFISSA-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948268941 670091038 /nfs/dbraw/zinc/09/10/38/670091038.db2.gz HVGKDGUCXFISSA-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948268941 670091041 /nfs/dbraw/zinc/09/10/41/670091041.db2.gz HVGKDGUCXFISSA-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841809 670214183 /nfs/dbraw/zinc/21/41/83/670214183.db2.gz FFBBBYJDOYKVGH-HZPDHXFCSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841809 670214187 /nfs/dbraw/zinc/21/41/87/670214187.db2.gz FFBBBYJDOYKVGH-HZPDHXFCSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000854568116 670589051 /nfs/dbraw/zinc/58/90/51/670589051.db2.gz HQXWPIAZYUCEGA-RDJZCZTQSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000854568116 670589054 /nfs/dbraw/zinc/58/90/54/670589054.db2.gz HQXWPIAZYUCEGA-RDJZCZTQSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCOC[C@@H]2C)CC1 ZINC000854568116 670589056 /nfs/dbraw/zinc/58/90/56/670589056.db2.gz HQXWPIAZYUCEGA-RDJZCZTQSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCOC[C@@H]2C)CC1 ZINC000854568116 670589057 /nfs/dbraw/zinc/58/90/57/670589057.db2.gz HQXWPIAZYUCEGA-RDJZCZTQSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038534479 694108580 /nfs/dbraw/zinc/10/85/80/694108580.db2.gz HREHUNFFIBRRNA-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534479 694108585 /nfs/dbraw/zinc/10/85/85/694108585.db2.gz HREHUNFFIBRRNA-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534479 694108591 /nfs/dbraw/zinc/10/85/91/694108591.db2.gz HREHUNFFIBRRNA-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958343503 687562432 /nfs/dbraw/zinc/56/24/32/687562432.db2.gz AQMZNKQHBSNYBW-LSDHHAIUSA-N 2 1 321.421 0.940 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958345894 687566375 /nfs/dbraw/zinc/56/63/75/687566375.db2.gz UJUYPYONNVIUIA-GJZGRUSLSA-N 2 1 319.405 0.387 20 30 DCEDMP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717101 687871777 /nfs/dbraw/zinc/87/17/77/687871777.db2.gz PFBHXVWDNCGBAN-DLBZAZTESA-N 2 1 315.417 0.404 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC=C)C[C@@H]2O)CC1 ZINC000958725177 687877772 /nfs/dbraw/zinc/87/77/72/687877772.db2.gz WHMRZNWDAFFPRY-SJORKVTESA-N 2 1 319.449 0.317 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000960269669 688340053 /nfs/dbraw/zinc/34/00/53/688340053.db2.gz RTYYLBWPBSYPDM-TWMKSMIVSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000960269669 688340057 /nfs/dbraw/zinc/34/00/57/688340057.db2.gz RTYYLBWPBSYPDM-TWMKSMIVSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000960269669 688340061 /nfs/dbraw/zinc/34/00/61/688340061.db2.gz RTYYLBWPBSYPDM-TWMKSMIVSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961769457 688728170 /nfs/dbraw/zinc/72/81/70/688728170.db2.gz GRLBTHYVEJEXMY-OJLVUWQFSA-N 2 1 300.406 0.986 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961769457 688728175 /nfs/dbraw/zinc/72/81/75/688728175.db2.gz GRLBTHYVEJEXMY-OJLVUWQFSA-N 2 1 300.406 0.986 20 30 DCEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796645 690392808 /nfs/dbraw/zinc/39/28/08/690392808.db2.gz MAAWLJFSZZZLOZ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796645 690392810 /nfs/dbraw/zinc/39/28/10/690392810.db2.gz MAAWLJFSZZZLOZ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968796645 690392813 /nfs/dbraw/zinc/39/28/13/690392813.db2.gz MAAWLJFSZZZLOZ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968796645 690392817 /nfs/dbraw/zinc/39/28/17/690392817.db2.gz MAAWLJFSZZZLOZ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000968952193 690433575 /nfs/dbraw/zinc/43/35/75/690433575.db2.gz DOGGDIXCDKSURO-ZBFHGGJFSA-N 2 1 315.421 0.208 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000968952193 690433577 /nfs/dbraw/zinc/43/35/77/690433577.db2.gz DOGGDIXCDKSURO-ZBFHGGJFSA-N 2 1 315.421 0.208 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC000968954840 690434232 /nfs/dbraw/zinc/43/42/32/690434232.db2.gz UYCSBHGWKGIUJP-CVEARBPZSA-N 2 1 316.405 0.771 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC000968954840 690434233 /nfs/dbraw/zinc/43/42/33/690434233.db2.gz UYCSBHGWKGIUJP-CVEARBPZSA-N 2 1 316.405 0.771 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001425312 690544510 /nfs/dbraw/zinc/54/45/10/690544510.db2.gz NQDVGDCZAMZTQG-CVEARBPZSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC#CC)C2)CC1 ZINC001009625682 691077209 /nfs/dbraw/zinc/07/72/09/691077209.db2.gz GAXMBWLYZOKVMI-QGZVFWFLSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC#CC)C2)CC1 ZINC001009625682 691077213 /nfs/dbraw/zinc/07/72/13/691077213.db2.gz GAXMBWLYZOKVMI-QGZVFWFLSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711637 692078517 /nfs/dbraw/zinc/07/85/17/692078517.db2.gz OZMZTBSMNUYVNM-ZBFHGGJFSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711637 692078521 /nfs/dbraw/zinc/07/85/21/692078521.db2.gz OZMZTBSMNUYVNM-ZBFHGGJFSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711637 692078524 /nfs/dbraw/zinc/07/85/24/692078524.db2.gz OZMZTBSMNUYVNM-ZBFHGGJFSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711637 692078528 /nfs/dbraw/zinc/07/85/28/692078528.db2.gz OZMZTBSMNUYVNM-ZBFHGGJFSA-N 2 1 305.422 0.454 20 30 DCEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016553058 692718239 /nfs/dbraw/zinc/71/82/39/692718239.db2.gz PFIHSFLIFVCSHU-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553058 692718241 /nfs/dbraw/zinc/71/82/41/692718241.db2.gz PFIHSFLIFVCSHU-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016984685 692820653 /nfs/dbraw/zinc/82/06/53/692820653.db2.gz GFUPDZCWJNXSKT-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016984685 692820658 /nfs/dbraw/zinc/82/06/58/692820658.db2.gz GFUPDZCWJNXSKT-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040537893 694566753 /nfs/dbraw/zinc/56/67/53/694566753.db2.gz DFIOQMZCKHUEDM-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040537893 694566755 /nfs/dbraw/zinc/56/67/55/694566755.db2.gz DFIOQMZCKHUEDM-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040537893 694566757 /nfs/dbraw/zinc/56/67/57/694566757.db2.gz DFIOQMZCKHUEDM-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040537893 694566758 /nfs/dbraw/zinc/56/67/58/694566758.db2.gz DFIOQMZCKHUEDM-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC001018986243 693308048 /nfs/dbraw/zinc/30/80/48/693308048.db2.gz WVHGDJRPZDUESP-IRXDYDNUSA-N 2 1 312.417 0.870 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC001018986243 693308054 /nfs/dbraw/zinc/30/80/54/693308054.db2.gz WVHGDJRPZDUESP-IRXDYDNUSA-N 2 1 312.417 0.870 20 30 DCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760844 694661295 /nfs/dbraw/zinc/66/12/95/694661295.db2.gz QQJLZDULSNNPCZ-CABCVRRESA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760844 694661296 /nfs/dbraw/zinc/66/12/96/694661296.db2.gz QQJLZDULSNNPCZ-CABCVRRESA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760844 694661297 /nfs/dbraw/zinc/66/12/97/694661297.db2.gz QQJLZDULSNNPCZ-CABCVRRESA-N 2 1 305.422 0.570 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760949 694661442 /nfs/dbraw/zinc/66/14/42/694661442.db2.gz WGYHBRCYBMZVQM-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760949 694661443 /nfs/dbraw/zinc/66/14/43/694661443.db2.gz WGYHBRCYBMZVQM-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760949 694661444 /nfs/dbraw/zinc/66/14/44/694661444.db2.gz WGYHBRCYBMZVQM-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605256 694750275 /nfs/dbraw/zinc/75/02/75/694750275.db2.gz GFJGERKKTGIQRE-IAGOWNOFSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073745636 694776071 /nfs/dbraw/zinc/77/60/71/694776071.db2.gz DCLMOOBOICMHCV-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073745636 694776072 /nfs/dbraw/zinc/77/60/72/694776072.db2.gz DCLMOOBOICMHCV-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073745636 694776073 /nfs/dbraw/zinc/77/60/73/694776073.db2.gz DCLMOOBOICMHCV-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCC)CCCO2)CC1 ZINC001073899300 694798632 /nfs/dbraw/zinc/79/86/32/694798632.db2.gz QAOKGASAPXYHET-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173029 695003312 /nfs/dbraw/zinc/00/33/12/695003312.db2.gz HNZRDCAPIQYVDF-XHSDSOJGSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173029 695003313 /nfs/dbraw/zinc/00/33/13/695003313.db2.gz HNZRDCAPIQYVDF-XHSDSOJGSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173029 695003314 /nfs/dbraw/zinc/00/33/14/695003314.db2.gz HNZRDCAPIQYVDF-XHSDSOJGSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173029 695003315 /nfs/dbraw/zinc/00/33/15/695003315.db2.gz HNZRDCAPIQYVDF-XHSDSOJGSA-N 2 1 307.438 0.814 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174369 695003482 /nfs/dbraw/zinc/00/34/82/695003482.db2.gz ITDYXUCIZAIHOH-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174369 695003483 /nfs/dbraw/zinc/00/34/83/695003483.db2.gz ITDYXUCIZAIHOH-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174369 695003484 /nfs/dbraw/zinc/00/34/84/695003484.db2.gz ITDYXUCIZAIHOH-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174369 695003485 /nfs/dbraw/zinc/00/34/85/695003485.db2.gz ITDYXUCIZAIHOH-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001570495279 1162531323 /nfs/dbraw/zinc/53/13/23/1162531323.db2.gz XTPIRWOUMSZKBO-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001570718345 1162597687 /nfs/dbraw/zinc/59/76/87/1162597687.db2.gz UMSCFPAZQMFUAP-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001571443926 1162759841 /nfs/dbraw/zinc/75/98/41/1162759841.db2.gz BCQZAGIWMHIRBN-SJORKVTESA-N 2 1 317.433 0.769 20 30 DCEDMP C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001571600577 1162847222 /nfs/dbraw/zinc/84/72/22/1162847222.db2.gz VAFHVJSSRKQEBD-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001571600577 1162847231 /nfs/dbraw/zinc/84/72/31/1162847231.db2.gz VAFHVJSSRKQEBD-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001571600577 1162847241 /nfs/dbraw/zinc/84/72/41/1162847241.db2.gz VAFHVJSSRKQEBD-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001571600577 1162847249 /nfs/dbraw/zinc/84/72/49/1162847249.db2.gz VAFHVJSSRKQEBD-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001571603196 1162851770 /nfs/dbraw/zinc/85/17/70/1162851770.db2.gz WCHHTWOEAQBIGQ-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001571603196 1162851780 /nfs/dbraw/zinc/85/17/80/1162851780.db2.gz WCHHTWOEAQBIGQ-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001571603196 1162851786 /nfs/dbraw/zinc/85/17/86/1162851786.db2.gz WCHHTWOEAQBIGQ-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001772519895 1157418916 /nfs/dbraw/zinc/41/89/16/1157418916.db2.gz SHFWYBBRHFVABV-CJNGLKHVSA-N 2 1 315.421 0.861 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001772519895 1157418919 /nfs/dbraw/zinc/41/89/19/1157418919.db2.gz SHFWYBBRHFVABV-CJNGLKHVSA-N 2 1 315.421 0.861 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001670508149 1157452715 /nfs/dbraw/zinc/45/27/15/1157452715.db2.gz ZYGXCHNTCNCHTH-GJZGRUSLSA-N 2 1 322.453 0.257 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001691162587 1157602019 /nfs/dbraw/zinc/60/20/19/1157602019.db2.gz CQJPYZGEDGXOMK-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001691162587 1157602022 /nfs/dbraw/zinc/60/20/22/1157602022.db2.gz CQJPYZGEDGXOMK-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]([C@H](C)COC)C1CC1 ZINC001691213214 1157613083 /nfs/dbraw/zinc/61/30/83/1157613083.db2.gz PEHWGNBGAGOESC-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]([C@H](C)COC)C1CC1 ZINC001691213214 1157613084 /nfs/dbraw/zinc/61/30/84/1157613084.db2.gz PEHWGNBGAGOESC-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@H](C)COC)C1CC1 ZINC001691213214 1157613092 /nfs/dbraw/zinc/61/30/92/1157613092.db2.gz PEHWGNBGAGOESC-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@H](C)COC)C1CC1 ZINC001691213214 1157613096 /nfs/dbraw/zinc/61/30/96/1157613096.db2.gz PEHWGNBGAGOESC-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001691940250 1157777007 /nfs/dbraw/zinc/77/70/07/1157777007.db2.gz MHBDLIKYVNMVAQ-QGZVFWFLSA-N 2 1 322.497 0.980 20 30 DCEDMP C=C(C)C[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001691524926 1158201186 /nfs/dbraw/zinc/20/11/86/1158201186.db2.gz OOAQZMQDSRMIDW-JKSUJKDBSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691524926 1158201190 /nfs/dbraw/zinc/20/11/90/1158201190.db2.gz OOAQZMQDSRMIDW-JKSUJKDBSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691524926 1158201193 /nfs/dbraw/zinc/20/11/93/1158201193.db2.gz OOAQZMQDSRMIDW-JKSUJKDBSA-N 2 1 309.454 0.942 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001280823591 1159088467 /nfs/dbraw/zinc/08/84/67/1159088467.db2.gz WGUDXYNSBHPIAJ-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001280823591 1159088477 /nfs/dbraw/zinc/08/84/77/1159088477.db2.gz WGUDXYNSBHPIAJ-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001565869067 1159917694 /nfs/dbraw/zinc/91/76/94/1159917694.db2.gz WMQHCDGZQVJFDC-JOCQHMNTSA-N 2 1 304.394 0.858 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1OCC ZINC001565956714 1159928768 /nfs/dbraw/zinc/92/87/68/1159928768.db2.gz ICQCOULTCCSQSV-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001566033543 1159949622 /nfs/dbraw/zinc/94/96/22/1159949622.db2.gz WSPVKJBEJHIRPE-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001566033543 1159949627 /nfs/dbraw/zinc/94/96/27/1159949627.db2.gz WSPVKJBEJHIRPE-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001566033543 1159949631 /nfs/dbraw/zinc/94/96/31/1159949631.db2.gz WSPVKJBEJHIRPE-QGZVFWFLSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001566059517 1159956257 /nfs/dbraw/zinc/95/62/57/1159956257.db2.gz VETMAOTURKUMAN-MRXNPFEDSA-N 2 1 307.438 0.368 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001566641856 1160106964 /nfs/dbraw/zinc/10/69/64/1160106964.db2.gz DWKCTUUOQIIQPO-UHFFFAOYSA-N 2 1 320.481 0.925 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001566654248 1160113488 /nfs/dbraw/zinc/11/34/88/1160113488.db2.gz MPMRJDUIRCISGA-UHFFFAOYSA-N 2 1 319.453 0.892 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001566890461 1160177803 /nfs/dbraw/zinc/17/78/03/1160177803.db2.gz RRFPJILZMWLISF-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567097185 1160240336 /nfs/dbraw/zinc/24/03/36/1160240336.db2.gz RIJNKXXIYMRVCG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001567307378 1160305509 /nfs/dbraw/zinc/30/55/09/1160305509.db2.gz XGXSLLWOTGHDOJ-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001567307378 1160305517 /nfs/dbraw/zinc/30/55/17/1160305517.db2.gz XGXSLLWOTGHDOJ-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001567307378 1160305519 /nfs/dbraw/zinc/30/55/19/1160305519.db2.gz XGXSLLWOTGHDOJ-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001567307378 1160305527 /nfs/dbraw/zinc/30/55/27/1160305527.db2.gz XGXSLLWOTGHDOJ-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001567511480 1160402624 /nfs/dbraw/zinc/40/26/24/1160402624.db2.gz WALMGLFGOVMUEI-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001567511480 1160402629 /nfs/dbraw/zinc/40/26/29/1160402629.db2.gz WALMGLFGOVMUEI-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001567720210 1160463084 /nfs/dbraw/zinc/46/30/84/1160463084.db2.gz NNKDTOLNXRVBFB-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001567718120 1160463354 /nfs/dbraw/zinc/46/33/54/1160463354.db2.gz VTWBDZSPGNUGKR-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC#CCOC ZINC001568175835 1160591224 /nfs/dbraw/zinc/59/12/24/1160591224.db2.gz NKVZDEFIEFJZLY-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569122081 1160949348 /nfs/dbraw/zinc/94/93/48/1160949348.db2.gz VNVIEALUSGQBKO-KBPBESRZSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569122081 1160949354 /nfs/dbraw/zinc/94/93/54/1160949354.db2.gz VNVIEALUSGQBKO-KBPBESRZSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001569856579 1161286578 /nfs/dbraw/zinc/28/65/78/1161286578.db2.gz VITCPHQHOIAINV-GJZGRUSLSA-N 2 1 324.469 0.313 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001570200675 1161489716 /nfs/dbraw/zinc/48/97/16/1161489716.db2.gz DFQJLKFJHJWKAO-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001570200675 1161489729 /nfs/dbraw/zinc/48/97/29/1161489729.db2.gz DFQJLKFJHJWKAO-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001570200675 1161489751 /nfs/dbraw/zinc/48/97/51/1161489751.db2.gz DFQJLKFJHJWKAO-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001570207679 1161492894 /nfs/dbraw/zinc/49/28/94/1161492894.db2.gz YTUCLICMHAQOBC-UHFFFAOYSA-N 2 1 324.469 0.411 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001570306162 1161556569 /nfs/dbraw/zinc/55/65/69/1161556569.db2.gz WWFBJGLXOBYADU-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC001575402922 1163999357 /nfs/dbraw/zinc/99/93/57/1163999357.db2.gz WUOCZZFYKVESED-RRFJBIMHSA-N 2 1 321.469 0.394 20 30 DCEDMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001575962563 1164194079 /nfs/dbraw/zinc/19/40/79/1164194079.db2.gz UKIAHGSPLZBLHV-GJZGRUSLSA-N 2 1 309.458 0.540 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656368894 1173858951 /nfs/dbraw/zinc/85/89/51/1173858951.db2.gz BBTRUEGIFPCSQO-YESZJQIVSA-N 2 1 321.465 0.853 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001656639157 1173869968 /nfs/dbraw/zinc/86/99/68/1173869968.db2.gz CLTKAAYUGZCFCH-ZDUSSCGKSA-N 2 1 319.409 0.558 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001661510425 1174132654 /nfs/dbraw/zinc/13/26/54/1174132654.db2.gz AYASUESXMLRNEF-BIQWYFBQSA-N 2 1 322.453 0.398 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001662872419 1174249886 /nfs/dbraw/zinc/24/98/86/1174249886.db2.gz MQDHGGYZBAGHRZ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001662872419 1174249888 /nfs/dbraw/zinc/24/98/88/1174249888.db2.gz MQDHGGYZBAGHRZ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001662872419 1174249891 /nfs/dbraw/zinc/24/98/91/1174249891.db2.gz MQDHGGYZBAGHRZ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001663620970 1174334063 /nfs/dbraw/zinc/33/40/63/1174334063.db2.gz SUPQUWDUJOGOCM-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001663620970 1174334075 /nfs/dbraw/zinc/33/40/75/1174334075.db2.gz SUPQUWDUJOGOCM-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001663620970 1174334080 /nfs/dbraw/zinc/33/40/80/1174334080.db2.gz SUPQUWDUJOGOCM-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001668184786 1174765970 /nfs/dbraw/zinc/76/59/70/1174765970.db2.gz GQQUDIJRYOWQSN-PMPSAXMXSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001671604244 1175021970 /nfs/dbraw/zinc/02/19/70/1175021970.db2.gz XWLDMYXQKVTQKD-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001671604244 1175021971 /nfs/dbraw/zinc/02/19/71/1175021971.db2.gz XWLDMYXQKVTQKD-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001671604244 1175021973 /nfs/dbraw/zinc/02/19/73/1175021973.db2.gz XWLDMYXQKVTQKD-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001672217070 1175089417 /nfs/dbraw/zinc/08/94/17/1175089417.db2.gz XUYFKXZGNKKVFW-CVEARBPZSA-N 2 1 318.421 0.668 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001672247973 1175092610 /nfs/dbraw/zinc/09/26/10/1175092610.db2.gz ZSDXQIQDEWGIBI-GOEBONIOSA-N 2 1 318.421 0.668 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001676079086 1175418245 /nfs/dbraw/zinc/41/82/45/1175418245.db2.gz JDAIPDLFJOCFME-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001676079086 1175418250 /nfs/dbraw/zinc/41/82/50/1175418250.db2.gz JDAIPDLFJOCFME-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001676079086 1175418254 /nfs/dbraw/zinc/41/82/54/1175418254.db2.gz JDAIPDLFJOCFME-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001676285759 1175433851 /nfs/dbraw/zinc/43/38/51/1175433851.db2.gz HAYPCCXOIMHTPC-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001676285759 1175433856 /nfs/dbraw/zinc/43/38/56/1175433856.db2.gz HAYPCCXOIMHTPC-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC#CC)CCOC)CC1 ZINC001677321535 1175557869 /nfs/dbraw/zinc/55/78/69/1175557869.db2.gz LFMOYLRAXREEHV-UHFFFAOYSA-N 2 1 319.449 0.420 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC#CC)CCOC)CC1 ZINC001677321535 1175557873 /nfs/dbraw/zinc/55/78/73/1175557873.db2.gz LFMOYLRAXREEHV-UHFFFAOYSA-N 2 1 319.449 0.420 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001677511402 1175572636 /nfs/dbraw/zinc/57/26/36/1175572636.db2.gz RMGATQVJSICANG-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001689110946 1176696800 /nfs/dbraw/zinc/69/68/00/1176696800.db2.gz UMRPBPRSQRMBFN-IKGGRYGDSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](CCC)CCO)C1 ZINC001689204203 1176739567 /nfs/dbraw/zinc/73/95/67/1176739567.db2.gz GXCMYUGVMNJDDR-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](CCC)CCO)C1 ZINC001689204203 1176739570 /nfs/dbraw/zinc/73/95/70/1176739570.db2.gz GXCMYUGVMNJDDR-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](CCC)CCO)C1 ZINC001689204203 1176739575 /nfs/dbraw/zinc/73/95/75/1176739575.db2.gz GXCMYUGVMNJDDR-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CCC)CCO)C1 ZINC001689204203 1176739580 /nfs/dbraw/zinc/73/95/80/1176739580.db2.gz GXCMYUGVMNJDDR-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CCC)CCO)C1 ZINC001689204203 1176739584 /nfs/dbraw/zinc/73/95/84/1176739584.db2.gz GXCMYUGVMNJDDR-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001690060326 1177156836 /nfs/dbraw/zinc/15/68/36/1177156836.db2.gz RCVLZOHUMNRSLM-MRXNPFEDSA-N 2 1 321.469 0.508 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001690060326 1177156838 /nfs/dbraw/zinc/15/68/38/1177156838.db2.gz RCVLZOHUMNRSLM-MRXNPFEDSA-N 2 1 321.469 0.508 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001690337859 1177217325 /nfs/dbraw/zinc/21/73/25/1177217325.db2.gz BNYBMXFCTWRCGU-XUWVNRHRSA-N 2 1 307.438 0.603 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001698563636 1177556897 /nfs/dbraw/zinc/55/68/97/1177556897.db2.gz PXUHTZGEIDBJDN-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001698563636 1177556904 /nfs/dbraw/zinc/55/69/04/1177556904.db2.gz PXUHTZGEIDBJDN-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001698563636 1177556907 /nfs/dbraw/zinc/55/69/07/1177556907.db2.gz PXUHTZGEIDBJDN-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001698563636 1177556910 /nfs/dbraw/zinc/55/69/10/1177556910.db2.gz PXUHTZGEIDBJDN-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001698730111 1177619984 /nfs/dbraw/zinc/61/99/84/1177619984.db2.gz YISMUHBPAXOHMF-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001698732221 1177623063 /nfs/dbraw/zinc/62/30/63/1177623063.db2.gz VWTCUDWMZNXWHA-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C/C=C\CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001699306869 1178051911 /nfs/dbraw/zinc/05/19/11/1178051911.db2.gz ALZXYADXXDVPIE-ARJAWSKDSA-N 2 1 302.378 0.779 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001699316720 1178060706 /nfs/dbraw/zinc/06/07/06/1178060706.db2.gz UWJYWFWCAGSZBA-SRPIJEGYSA-N 2 1 319.449 0.915 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001699995148 1178413644 /nfs/dbraw/zinc/41/36/44/1178413644.db2.gz KTJVVNILTDGBFE-INIZCTEOSA-N 2 1 320.481 0.522 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001700174534 1178517172 /nfs/dbraw/zinc/51/71/72/1178517172.db2.gz GRLMOGXZYGENOM-MRXNPFEDSA-N 2 1 308.470 0.731 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001700174534 1178517178 /nfs/dbraw/zinc/51/71/78/1178517178.db2.gz GRLMOGXZYGENOM-MRXNPFEDSA-N 2 1 308.470 0.731 20 30 DCEDMP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001700231959 1178542647 /nfs/dbraw/zinc/54/26/47/1178542647.db2.gz KLBIWUXUTHWGMQ-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001700232591 1178543469 /nfs/dbraw/zinc/54/34/69/1178543469.db2.gz IDSYYGIPECDGSO-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001700289402 1178566409 /nfs/dbraw/zinc/56/64/09/1178566409.db2.gz KNHHTXBFGDDUCW-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001700436172 1178615945 /nfs/dbraw/zinc/61/59/45/1178615945.db2.gz RLZSXEWJLVHDMU-UYSNPLJNSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001700436172 1178615946 /nfs/dbraw/zinc/61/59/46/1178615946.db2.gz RLZSXEWJLVHDMU-UYSNPLJNSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001700610866 1178680103 /nfs/dbraw/zinc/68/01/03/1178680103.db2.gz OFHUOHVUUSIHJR-HIFRSBDPSA-N 2 1 304.394 0.420 20 30 DCEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001700703721 1178713265 /nfs/dbraw/zinc/71/32/65/1178713265.db2.gz BYZVVGUOUCDWDE-CQSZACIVSA-N 2 1 306.410 0.696 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001700722769 1178722694 /nfs/dbraw/zinc/72/26/94/1178722694.db2.gz ZKHKEOLFGUUURK-OIISXLGYSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC001700926153 1178807210 /nfs/dbraw/zinc/80/72/10/1178807210.db2.gz JUZRZBDNDREKLH-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC001700926153 1178807220 /nfs/dbraw/zinc/80/72/20/1178807220.db2.gz JUZRZBDNDREKLH-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001700947246 1178823105 /nfs/dbraw/zinc/82/31/05/1178823105.db2.gz OOQVDIWQDIGHGR-HUUCEWRRSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001707179436 1180428604 /nfs/dbraw/zinc/42/86/04/1180428604.db2.gz MLOISFUXZWHKCO-LBPRGKRZSA-N 2 1 319.409 0.416 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccn2)CC1 ZINC001713478128 1180856175 /nfs/dbraw/zinc/85/61/75/1180856175.db2.gz PUPIHHMNJLZLAF-UHFFFAOYSA-N 2 1 314.433 0.975 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccn2)CC1 ZINC001713478128 1180856185 /nfs/dbraw/zinc/85/61/85/1180856185.db2.gz PUPIHHMNJLZLAF-UHFFFAOYSA-N 2 1 314.433 0.975 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001713788450 1181066959 /nfs/dbraw/zinc/06/69/59/1181066959.db2.gz MVLUTRNVJFZSLR-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001713788450 1181066963 /nfs/dbraw/zinc/06/69/63/1181066963.db2.gz MVLUTRNVJFZSLR-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP CC#CCN1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001713809771 1181085140 /nfs/dbraw/zinc/08/51/40/1181085140.db2.gz IWFXAQLNCOMTPW-IRXDYDNUSA-N 2 1 320.481 0.474 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001713809771 1181085148 /nfs/dbraw/zinc/08/51/48/1181085148.db2.gz IWFXAQLNCOMTPW-IRXDYDNUSA-N 2 1 320.481 0.474 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001713809771 1181085154 /nfs/dbraw/zinc/08/51/54/1181085154.db2.gz IWFXAQLNCOMTPW-IRXDYDNUSA-N 2 1 320.481 0.474 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001713889112 1181130308 /nfs/dbraw/zinc/13/03/08/1181130308.db2.gz IOMKPAXKOIXNNC-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001713889112 1181130310 /nfs/dbraw/zinc/13/03/10/1181130310.db2.gz IOMKPAXKOIXNNC-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001713889112 1181130316 /nfs/dbraw/zinc/13/03/16/1181130316.db2.gz IOMKPAXKOIXNNC-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001713889112 1181130318 /nfs/dbraw/zinc/13/03/18/1181130318.db2.gz IOMKPAXKOIXNNC-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001713936528 1181158993 /nfs/dbraw/zinc/15/89/93/1181158993.db2.gz PVNVJJZKNRSFKS-OCCSQVGLSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001714256870 1181298207 /nfs/dbraw/zinc/29/82/07/1181298207.db2.gz SZICGPHHKCRTJK-TZMCWYRMSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC[C@H]2CCOC2)CC1 ZINC001714572059 1181420592 /nfs/dbraw/zinc/42/05/92/1181420592.db2.gz IKUBXFGQKVHDRN-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001715379221 1181795987 /nfs/dbraw/zinc/79/59/87/1181795987.db2.gz SSVGENZSBYUHJE-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001715396420 1181800531 /nfs/dbraw/zinc/80/05/31/1181800531.db2.gz YGXFGOAFOHIRME-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001715396420 1181800536 /nfs/dbraw/zinc/80/05/36/1181800536.db2.gz YGXFGOAFOHIRME-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001715953189 1182116618 /nfs/dbraw/zinc/11/66/18/1182116618.db2.gz KCFSOSUIFXIPPF-HZPDHXFCSA-N 2 1 309.454 0.993 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1=O ZINC001716404199 1182377389 /nfs/dbraw/zinc/37/73/89/1182377389.db2.gz ANJRZQWTZYYLGS-TZMCWYRMSA-N 2 1 319.409 0.073 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001716926109 1182580841 /nfs/dbraw/zinc/58/08/41/1182580841.db2.gz LEAHIAUGEVITOI-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001716926109 1182580847 /nfs/dbraw/zinc/58/08/47/1182580847.db2.gz LEAHIAUGEVITOI-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001716926109 1182580850 /nfs/dbraw/zinc/58/08/50/1182580850.db2.gz LEAHIAUGEVITOI-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@H+](CCC)C2)CC1 ZINC001717028641 1182634383 /nfs/dbraw/zinc/63/43/83/1182634383.db2.gz XMWNCGBYIHAWMV-GOSISDBHSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001717176108 1182710809 /nfs/dbraw/zinc/71/08/09/1182710809.db2.gz SSNZNCJGZBHMRM-CQSZACIVSA-N 2 1 322.409 0.743 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCO1 ZINC001717179385 1182713102 /nfs/dbraw/zinc/71/31/02/1182713102.db2.gz LRNOYKWYHQTSML-GDBMZVCRSA-N 2 1 318.421 0.757 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001717575336 1182906810 /nfs/dbraw/zinc/90/68/10/1182906810.db2.gz BZYJFNZPXQXOSY-KRWDZBQOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001717575336 1182906813 /nfs/dbraw/zinc/90/68/13/1182906813.db2.gz BZYJFNZPXQXOSY-KRWDZBQOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001717575336 1182906818 /nfs/dbraw/zinc/90/68/18/1182906818.db2.gz BZYJFNZPXQXOSY-KRWDZBQOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001717575336 1182906821 /nfs/dbraw/zinc/90/68/21/1182906821.db2.gz BZYJFNZPXQXOSY-KRWDZBQOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001723680961 1184335453 /nfs/dbraw/zinc/33/54/53/1184335453.db2.gz UCRMYOYAPQZVFR-GOSISDBHSA-N 2 1 321.465 0.902 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001723878306 1184357598 /nfs/dbraw/zinc/35/75/98/1184357598.db2.gz ZJCSUBMSVCHJBT-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001723878303 1184357913 /nfs/dbraw/zinc/35/79/13/1184357913.db2.gz ZJCSUBMSVCHJBT-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#CCOC)CC1 ZINC001724841347 1184588690 /nfs/dbraw/zinc/58/86/90/1184588690.db2.gz DKVSSZCJLIMXSJ-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC#CCOC)CC1 ZINC001724841347 1184588694 /nfs/dbraw/zinc/58/86/94/1184588694.db2.gz DKVSSZCJLIMXSJ-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC001724841347 1184588699 /nfs/dbraw/zinc/58/86/99/1184588699.db2.gz DKVSSZCJLIMXSJ-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001725020654 1184659135 /nfs/dbraw/zinc/65/91/35/1184659135.db2.gz DHJKPRDMNRDHGK-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001725149140 1184695916 /nfs/dbraw/zinc/69/59/16/1184695916.db2.gz ZLGFUZDHHUGICJ-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001725149140 1184695920 /nfs/dbraw/zinc/69/59/20/1184695920.db2.gz ZLGFUZDHHUGICJ-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001725723291 1184975353 /nfs/dbraw/zinc/97/53/53/1184975353.db2.gz JTPJCAWQFLUZEI-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001725726423 1184976643 /nfs/dbraw/zinc/97/66/43/1184976643.db2.gz ZXCNAQQJFFWXAP-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001731445740 1185336636 /nfs/dbraw/zinc/33/66/36/1185336636.db2.gz BBJOBSGECYEXGD-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001731952324 1185602279 /nfs/dbraw/zinc/60/22/79/1185602279.db2.gz MWPOPRPLSJTREN-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732419355 1185808768 /nfs/dbraw/zinc/80/87/68/1185808768.db2.gz LRJLSOVWFUUKSI-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001732421220 1185810106 /nfs/dbraw/zinc/81/01/06/1185810106.db2.gz NTIVIGVBZXWJOM-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001733493268 1186301920 /nfs/dbraw/zinc/30/19/20/1186301920.db2.gz RCACRFOUYFINBR-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001733493268 1186301927 /nfs/dbraw/zinc/30/19/27/1186301927.db2.gz RCACRFOUYFINBR-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001733493268 1186301934 /nfs/dbraw/zinc/30/19/34/1186301934.db2.gz RCACRFOUYFINBR-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001733888480 1186487547 /nfs/dbraw/zinc/48/75/47/1186487547.db2.gz GQNSDTMRTHGPJX-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001733900118 1186492745 /nfs/dbraw/zinc/49/27/45/1186492745.db2.gz JVRSUBBUIXCQAA-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001733900118 1186492748 /nfs/dbraw/zinc/49/27/48/1186492748.db2.gz JVRSUBBUIXCQAA-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001733900118 1186492750 /nfs/dbraw/zinc/49/27/50/1186492750.db2.gz JVRSUBBUIXCQAA-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001733900118 1186492753 /nfs/dbraw/zinc/49/27/53/1186492753.db2.gz JVRSUBBUIXCQAA-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001733900075 1186493252 /nfs/dbraw/zinc/49/32/52/1186493252.db2.gz JPVWBNDQCGISAD-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001734520827 1186674428 /nfs/dbraw/zinc/67/44/28/1186674428.db2.gz DIMVSDBATKACJI-OAHLLOKOSA-N 2 1 309.454 0.682 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001734555996 1186690806 /nfs/dbraw/zinc/69/08/06/1186690806.db2.gz MJRUBUFNBMZFBX-UONOGXRCSA-N 2 1 324.469 0.503 20 30 DCEDMP CC#CC[N@@H+](CC)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001752223843 1188405001 /nfs/dbraw/zinc/40/50/01/1188405001.db2.gz YDSRLHHWEWVZTL-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001753025036 1188478968 /nfs/dbraw/zinc/47/89/68/1188478968.db2.gz LYUQEJDARJEEIC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001753025036 1188478969 /nfs/dbraw/zinc/47/89/69/1188478969.db2.gz LYUQEJDARJEEIC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001753025036 1188478971 /nfs/dbraw/zinc/47/89/71/1188478971.db2.gz LYUQEJDARJEEIC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001753025036 1188478973 /nfs/dbraw/zinc/47/89/73/1188478973.db2.gz LYUQEJDARJEEIC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001753347262 1188571210 /nfs/dbraw/zinc/57/12/10/1188571210.db2.gz WYCDGOCFBJINBP-UHFFFAOYSA-N 2 1 310.486 0.979 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001753414606 1188587470 /nfs/dbraw/zinc/58/74/70/1188587470.db2.gz PXDZDQQSVBNQCB-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001753414606 1188587472 /nfs/dbraw/zinc/58/74/72/1188587472.db2.gz PXDZDQQSVBNQCB-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001753818559 1188658501 /nfs/dbraw/zinc/65/85/01/1188658501.db2.gz VCJHUONSHPIAMR-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001753818559 1188658504 /nfs/dbraw/zinc/65/85/04/1188658504.db2.gz VCJHUONSHPIAMR-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001753818559 1188658507 /nfs/dbraw/zinc/65/85/07/1188658507.db2.gz VCJHUONSHPIAMR-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001753818559 1188658510 /nfs/dbraw/zinc/65/85/10/1188658510.db2.gz VCJHUONSHPIAMR-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001754379288 1188838248 /nfs/dbraw/zinc/83/82/48/1188838248.db2.gz PHIIDZAMTWIGAB-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001754666145 1188898853 /nfs/dbraw/zinc/89/88/53/1188898853.db2.gz WYVODESTNZRLHJ-QGZVFWFLSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754666145 1188898855 /nfs/dbraw/zinc/89/88/55/1188898855.db2.gz WYVODESTNZRLHJ-QGZVFWFLSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754666145 1188898857 /nfs/dbraw/zinc/89/88/57/1188898857.db2.gz WYVODESTNZRLHJ-QGZVFWFLSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001754737372 1188913588 /nfs/dbraw/zinc/91/35/88/1188913588.db2.gz KQAOTNHBYURSSR-UHFFFAOYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(N)=O ZINC001755282329 1189069084 /nfs/dbraw/zinc/06/90/84/1189069084.db2.gz NTTDUOXVWIZOSW-KBPBESRZSA-N 2 1 322.453 0.032 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(N)=O ZINC001755282329 1189069088 /nfs/dbraw/zinc/06/90/88/1189069088.db2.gz NTTDUOXVWIZOSW-KBPBESRZSA-N 2 1 322.453 0.032 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001755804018 1189224929 /nfs/dbraw/zinc/22/49/29/1189224929.db2.gz HBLOVTDHZQYPSE-JYJNAYRXSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001755804018 1189224934 /nfs/dbraw/zinc/22/49/34/1189224934.db2.gz HBLOVTDHZQYPSE-JYJNAYRXSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001755804018 1189224939 /nfs/dbraw/zinc/22/49/39/1189224939.db2.gz HBLOVTDHZQYPSE-JYJNAYRXSA-N 2 1 309.454 0.491 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553662 751837184 /nfs/dbraw/zinc/83/71/84/751837184.db2.gz QJQNOJNRXRSOGK-HOTGVXAUSA-N 2 1 307.438 0.245 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553662 751837190 /nfs/dbraw/zinc/83/71/90/751837190.db2.gz QJQNOJNRXRSOGK-HOTGVXAUSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192810 746972093 /nfs/dbraw/zinc/97/20/93/746972093.db2.gz PQVYWHKIJBRTNL-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192810 746972099 /nfs/dbraw/zinc/97/20/99/746972099.db2.gz PQVYWHKIJBRTNL-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192810 746972103 /nfs/dbraw/zinc/97/21/03/746972103.db2.gz PQVYWHKIJBRTNL-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192810 746972108 /nfs/dbraw/zinc/97/21/08/746972108.db2.gz PQVYWHKIJBRTNL-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561268 747340486 /nfs/dbraw/zinc/34/04/86/747340486.db2.gz YZJYNLCYSMLUIH-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098561268 747340494 /nfs/dbraw/zinc/34/04/94/747340494.db2.gz YZJYNLCYSMLUIH-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098561268 747340502 /nfs/dbraw/zinc/34/05/02/747340502.db2.gz YZJYNLCYSMLUIH-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939687 747646619 /nfs/dbraw/zinc/64/66/19/747646619.db2.gz NHSKYURDWAWUDY-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105313948 748123272 /nfs/dbraw/zinc/12/32/72/748123272.db2.gz KLIBCFCQQOKXKD-UHFFFAOYSA-N 2 1 318.425 0.279 20 30 DCEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001105358282 748433934 /nfs/dbraw/zinc/43/39/34/748433934.db2.gz VNAIYVKCSTZEGQ-UHFFFAOYSA-N 2 1 318.425 0.116 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685321 752298268 /nfs/dbraw/zinc/29/82/68/752298268.db2.gz KRUPOKUATZHBOA-IAGOWNOFSA-N 2 1 317.433 0.752 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685321 752298274 /nfs/dbraw/zinc/29/82/74/752298274.db2.gz KRUPOKUATZHBOA-IAGOWNOFSA-N 2 1 317.433 0.752 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665246 749013567 /nfs/dbraw/zinc/01/35/67/749013567.db2.gz FKYINCPQNLNTOD-SYGRHNPNSA-N 2 1 317.433 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665246 749013572 /nfs/dbraw/zinc/01/35/72/749013572.db2.gz FKYINCPQNLNTOD-SYGRHNPNSA-N 2 1 317.433 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665246 749013577 /nfs/dbraw/zinc/01/35/77/749013577.db2.gz FKYINCPQNLNTOD-SYGRHNPNSA-N 2 1 317.433 0.452 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)[C@@H]2CC)CC1 ZINC001087839210 749078361 /nfs/dbraw/zinc/07/83/61/749078361.db2.gz PTUSZHXMBOKZTB-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001112867881 761983675 /nfs/dbraw/zinc/98/36/75/761983675.db2.gz CKKFLLXQOXTOKU-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563334 750199580 /nfs/dbraw/zinc/19/95/80/750199580.db2.gz KKUCLUSINJKLJR-CVEARBPZSA-N 2 1 321.465 0.990 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132337 750218311 /nfs/dbraw/zinc/21/83/11/750218311.db2.gz UDQXBLVOFDVMLN-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132337 750218313 /nfs/dbraw/zinc/21/83/13/750218313.db2.gz UDQXBLVOFDVMLN-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132337 750218316 /nfs/dbraw/zinc/21/83/16/750218316.db2.gz UDQXBLVOFDVMLN-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309934 751105391 /nfs/dbraw/zinc/10/53/91/751105391.db2.gz HUYAVUBOGBUOTN-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309934 751105392 /nfs/dbraw/zinc/10/53/92/751105392.db2.gz HUYAVUBOGBUOTN-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223429 751135760 /nfs/dbraw/zinc/13/57/60/751135760.db2.gz QGMNLMOHSMFPPW-IJLUTSLNSA-N 2 1 303.328 0.693 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089353150 751284165 /nfs/dbraw/zinc/28/41/65/751284165.db2.gz XWPFFOVAABIYLY-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089353150 751284169 /nfs/dbraw/zinc/28/41/69/751284169.db2.gz XWPFFOVAABIYLY-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089353150 751284171 /nfs/dbraw/zinc/28/41/71/751284171.db2.gz XWPFFOVAABIYLY-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089353150 751284174 /nfs/dbraw/zinc/28/41/74/751284174.db2.gz XWPFFOVAABIYLY-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589437 752519957 /nfs/dbraw/zinc/51/99/57/752519957.db2.gz YNGRJXPBAFMPIR-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444257 753196471 /nfs/dbraw/zinc/19/64/71/753196471.db2.gz FVPOGSGAIWDWQT-JKSUJKDBSA-N 2 1 319.449 0.844 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046038312 753441916 /nfs/dbraw/zinc/44/19/16/753441916.db2.gz KEQVIEOQIREKHB-HZPDHXFCSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046060928 753454991 /nfs/dbraw/zinc/45/49/91/753454991.db2.gz HZMYMZPIQMNSDY-IAGOWNOFSA-N 2 1 320.481 0.424 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082641 753472466 /nfs/dbraw/zinc/47/24/66/753472466.db2.gz UXPAEWZIZAXPPL-KRWDZBQOSA-N 2 1 318.465 0.324 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831423 753956966 /nfs/dbraw/zinc/95/69/66/753956966.db2.gz LBFNKASTAREKLT-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831423 753956972 /nfs/dbraw/zinc/95/69/72/753956972.db2.gz LBFNKASTAREKLT-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108077233 754000053 /nfs/dbraw/zinc/00/00/53/754000053.db2.gz YMUUAQKWJYTNDE-INIZCTEOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108077233 754000057 /nfs/dbraw/zinc/00/00/57/754000057.db2.gz YMUUAQKWJYTNDE-INIZCTEOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047409029 754256672 /nfs/dbraw/zinc/25/66/72/754256672.db2.gz LLSMFDCVYMDRSH-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047409029 754256677 /nfs/dbraw/zinc/25/66/77/754256677.db2.gz LLSMFDCVYMDRSH-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047409029 754256682 /nfs/dbraw/zinc/25/66/82/754256682.db2.gz LLSMFDCVYMDRSH-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047469717 754308977 /nfs/dbraw/zinc/30/89/77/754308977.db2.gz AINDIOSJXTYLIW-HRCADAONSA-N 2 1 307.438 0.550 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047469717 754308980 /nfs/dbraw/zinc/30/89/80/754308980.db2.gz AINDIOSJXTYLIW-HRCADAONSA-N 2 1 307.438 0.550 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001047527340 754359975 /nfs/dbraw/zinc/35/99/75/754359975.db2.gz CSCNPNRXBKELRE-PMPSAXMXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001047527340 754359983 /nfs/dbraw/zinc/35/99/83/754359983.db2.gz CSCNPNRXBKELRE-PMPSAXMXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001047527340 754359991 /nfs/dbraw/zinc/35/99/91/754359991.db2.gz CSCNPNRXBKELRE-PMPSAXMXSA-N 2 1 309.454 0.798 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090261820 754831031 /nfs/dbraw/zinc/83/10/31/754831031.db2.gz PGSPVWDKIVJHRJ-CVEARBPZSA-N 2 1 321.465 0.826 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048738779 754908395 /nfs/dbraw/zinc/90/83/95/754908395.db2.gz CQAHORYWOBMCEE-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048738779 754908400 /nfs/dbraw/zinc/90/84/00/754908400.db2.gz CQAHORYWOBMCEE-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738779 754908405 /nfs/dbraw/zinc/90/84/05/754908405.db2.gz CQAHORYWOBMCEE-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738779 754908411 /nfs/dbraw/zinc/90/84/11/754908411.db2.gz CQAHORYWOBMCEE-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833284 754967698 /nfs/dbraw/zinc/96/76/98/754967698.db2.gz MSUYTVGSGVCSIZ-VVLHAWIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833284 754967699 /nfs/dbraw/zinc/96/76/99/754967699.db2.gz MSUYTVGSGVCSIZ-VVLHAWIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833284 754967702 /nfs/dbraw/zinc/96/77/02/754967702.db2.gz MSUYTVGSGVCSIZ-VVLHAWIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006057 755069232 /nfs/dbraw/zinc/06/92/32/755069232.db2.gz LWGQDIBNAIYHQI-XHSDSOJGSA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006057 755069234 /nfs/dbraw/zinc/06/92/34/755069234.db2.gz LWGQDIBNAIYHQI-XHSDSOJGSA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006057 755069237 /nfs/dbraw/zinc/06/92/37/755069237.db2.gz LWGQDIBNAIYHQI-XHSDSOJGSA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006057 755069239 /nfs/dbraw/zinc/06/92/39/755069239.db2.gz LWGQDIBNAIYHQI-XHSDSOJGSA-N 2 1 307.438 0.672 20 30 DCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005865 755069362 /nfs/dbraw/zinc/06/93/62/755069362.db2.gz GNDWCGJETVIFOC-XHSDSOJGSA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005865 755069369 /nfs/dbraw/zinc/06/93/69/755069369.db2.gz GNDWCGJETVIFOC-XHSDSOJGSA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005865 755069376 /nfs/dbraw/zinc/06/93/76/755069376.db2.gz GNDWCGJETVIFOC-XHSDSOJGSA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005865 755069383 /nfs/dbraw/zinc/06/93/83/755069383.db2.gz GNDWCGJETVIFOC-XHSDSOJGSA-N 2 1 305.422 0.119 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391473 755247395 /nfs/dbraw/zinc/24/73/95/755247395.db2.gz LSTWLAKMLLXAMA-ARFHVFGLSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791466 755401636 /nfs/dbraw/zinc/40/16/36/755401636.db2.gz VHLAMTYEFPDONC-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791466 755401642 /nfs/dbraw/zinc/40/16/42/755401642.db2.gz VHLAMTYEFPDONC-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049902697 755440445 /nfs/dbraw/zinc/44/04/45/755440445.db2.gz CBKODZOJECDABR-OAGGEKHMSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049902697 755440448 /nfs/dbraw/zinc/44/04/48/755440448.db2.gz CBKODZOJECDABR-OAGGEKHMSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902697 755440449 /nfs/dbraw/zinc/44/04/49/755440449.db2.gz CBKODZOJECDABR-OAGGEKHMSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902697 755440451 /nfs/dbraw/zinc/44/04/51/755440451.db2.gz CBKODZOJECDABR-OAGGEKHMSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCO)CC1 ZINC001049921504 755447874 /nfs/dbraw/zinc/44/78/74/755447874.db2.gz WSMTXAJMSZIFJO-DLBZAZTESA-N 2 1 319.449 0.389 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090356321 755667732 /nfs/dbraw/zinc/66/77/32/755667732.db2.gz VVOYMNYXKPVCGI-LSDHHAIUSA-N 2 1 307.438 0.600 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799335 756812158 /nfs/dbraw/zinc/81/21/58/756812158.db2.gz MCCCQBRUUGLHSJ-BZUAXINKSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799335 756812163 /nfs/dbraw/zinc/81/21/63/756812163.db2.gz MCCCQBRUUGLHSJ-BZUAXINKSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799335 756812168 /nfs/dbraw/zinc/81/21/68/756812168.db2.gz MCCCQBRUUGLHSJ-BZUAXINKSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799335 756812174 /nfs/dbraw/zinc/81/21/74/756812174.db2.gz MCCCQBRUUGLHSJ-BZUAXINKSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081884593 756837334 /nfs/dbraw/zinc/83/73/34/756837334.db2.gz FLHRGWIVVMGYMD-BRWVUGGUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081884593 756837340 /nfs/dbraw/zinc/83/73/40/756837340.db2.gz FLHRGWIVVMGYMD-BRWVUGGUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081884593 756837345 /nfs/dbraw/zinc/83/73/45/756837345.db2.gz FLHRGWIVVMGYMD-BRWVUGGUSA-N 2 1 321.465 0.946 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653656 757214967 /nfs/dbraw/zinc/21/49/67/757214967.db2.gz WQAXUZOSGZQLHV-QVCPJDEESA-N 2 1 305.422 0.472 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653273 757215273 /nfs/dbraw/zinc/21/52/73/757215273.db2.gz CRXXRRVCPZXJJB-MYPHYYIGSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087485 757486086 /nfs/dbraw/zinc/48/60/86/757486086.db2.gz MDEFJZCNPALJRB-VVLHAWIVSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087485 757486089 /nfs/dbraw/zinc/48/60/89/757486089.db2.gz MDEFJZCNPALJRB-VVLHAWIVSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087485 757486094 /nfs/dbraw/zinc/48/60/94/757486094.db2.gz MDEFJZCNPALJRB-VVLHAWIVSA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937045 757556720 /nfs/dbraw/zinc/55/67/20/757556720.db2.gz JXXVNFIUHVKEHZ-SJORKVTESA-N 2 1 319.449 0.293 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937045 757556726 /nfs/dbraw/zinc/55/67/26/757556726.db2.gz JXXVNFIUHVKEHZ-SJORKVTESA-N 2 1 319.449 0.293 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472390 757741910 /nfs/dbraw/zinc/74/19/10/757741910.db2.gz ONJBEZLXOXXBMC-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472390 757741916 /nfs/dbraw/zinc/74/19/16/757741916.db2.gz ONJBEZLXOXXBMC-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090398756 757907258 /nfs/dbraw/zinc/90/72/58/757907258.db2.gz IFYQVWHILMQAIW-CABCVRRESA-N 2 1 300.362 0.685 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050761279 758036653 /nfs/dbraw/zinc/03/66/53/758036653.db2.gz KMKBONAACQQLHW-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050761279 758036659 /nfs/dbraw/zinc/03/66/59/758036659.db2.gz KMKBONAACQQLHW-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOC)CC1 ZINC001098460649 762677118 /nfs/dbraw/zinc/67/71/18/762677118.db2.gz HZCYVPJLEFXWMW-ZACQAIPSSA-N 2 1 319.449 0.700 20 30 DCEDMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052107085 759184507 /nfs/dbraw/zinc/18/45/07/759184507.db2.gz ANJGYHFVXBWOPM-JKSUJKDBSA-N 2 1 319.453 0.070 20 30 DCEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052107085 759184509 /nfs/dbraw/zinc/18/45/09/759184509.db2.gz ANJGYHFVXBWOPM-JKSUJKDBSA-N 2 1 319.453 0.070 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117070 759189091 /nfs/dbraw/zinc/18/90/91/759189091.db2.gz FOMWIBBWVPZLSH-CVEARBPZSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117070 759189095 /nfs/dbraw/zinc/18/90/95/759189095.db2.gz FOMWIBBWVPZLSH-CVEARBPZSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117070 759189098 /nfs/dbraw/zinc/18/90/98/759189098.db2.gz FOMWIBBWVPZLSH-CVEARBPZSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117070 759189101 /nfs/dbraw/zinc/18/91/01/759189101.db2.gz FOMWIBBWVPZLSH-CVEARBPZSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085732055 759246705 /nfs/dbraw/zinc/24/67/05/759246705.db2.gz QGHVZEVAYTYTPP-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732055 759246713 /nfs/dbraw/zinc/24/67/13/759246713.db2.gz QGHVZEVAYTYTPP-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732055 759246721 /nfs/dbraw/zinc/24/67/21/759246721.db2.gz QGHVZEVAYTYTPP-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052491155 759447811 /nfs/dbraw/zinc/44/78/11/759447811.db2.gz YRVPPPMPLSRGDT-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052491155 759447815 /nfs/dbraw/zinc/44/78/15/759447815.db2.gz YRVPPPMPLSRGDT-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052491155 759447823 /nfs/dbraw/zinc/44/78/23/759447823.db2.gz YRVPPPMPLSRGDT-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052491155 759447828 /nfs/dbraw/zinc/44/78/28/759447828.db2.gz YRVPPPMPLSRGDT-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@@H](C)O)CC1 ZINC001085987026 759547183 /nfs/dbraw/zinc/54/71/83/759547183.db2.gz RPUOSKSXTVIYEI-ZBFHGGJFSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001098399223 759574078 /nfs/dbraw/zinc/57/40/78/759574078.db2.gz DOAYRKBWMIXLAB-KRWDZBQOSA-N 2 1 323.481 0.881 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086151227 759768133 /nfs/dbraw/zinc/76/81/33/759768133.db2.gz RXLOYOHLIOZGJA-XTCFQUFBSA-N 2 1 319.449 0.910 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108260311 759979057 /nfs/dbraw/zinc/97/90/57/759979057.db2.gz KZOBGDOAYOVISU-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108260311 759979062 /nfs/dbraw/zinc/97/90/62/759979062.db2.gz KZOBGDOAYOVISU-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148292712 767960426 /nfs/dbraw/zinc/96/04/26/767960426.db2.gz RBSUWZKIECJOPN-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148292712 767960430 /nfs/dbraw/zinc/96/04/30/767960430.db2.gz RBSUWZKIECJOPN-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148578509 768020150 /nfs/dbraw/zinc/02/01/50/768020150.db2.gz VPBFRNHKACYZCZ-UHFFFAOYSA-N 2 1 324.469 0.625 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109733259 761524849 /nfs/dbraw/zinc/52/48/49/761524849.db2.gz KQORMCYLUXOXLE-YVSFHVDLSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109733259 761524854 /nfs/dbraw/zinc/52/48/54/761524854.db2.gz KQORMCYLUXOXLE-YVSFHVDLSA-N 2 1 319.449 0.842 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001070999912 761572327 /nfs/dbraw/zinc/57/23/27/761572327.db2.gz FUCHULIIMFEEDV-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001070999912 761572332 /nfs/dbraw/zinc/57/23/32/761572332.db2.gz FUCHULIIMFEEDV-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459981 762948138 /nfs/dbraw/zinc/94/81/38/762948138.db2.gz FNKRXKCSUMOLDJ-CABCVRRESA-N 2 1 320.441 0.536 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459981 762948144 /nfs/dbraw/zinc/94/81/44/762948144.db2.gz FNKRXKCSUMOLDJ-CABCVRRESA-N 2 1 320.441 0.536 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459981 762948149 /nfs/dbraw/zinc/94/81/49/762948149.db2.gz FNKRXKCSUMOLDJ-CABCVRRESA-N 2 1 320.441 0.536 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459981 762948153 /nfs/dbraw/zinc/94/81/53/762948153.db2.gz FNKRXKCSUMOLDJ-CABCVRRESA-N 2 1 320.441 0.536 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001129790654 763004619 /nfs/dbraw/zinc/00/46/19/763004619.db2.gz FTBREYABMXDAMX-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001129790654 763004622 /nfs/dbraw/zinc/00/46/22/763004622.db2.gz FTBREYABMXDAMX-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nc1C ZINC001129770861 763008158 /nfs/dbraw/zinc/00/81/58/763008158.db2.gz MBRVUULEDGWAKQ-HNNXBMFYSA-N 2 1 303.410 0.032 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nc1C ZINC001129770861 763008164 /nfs/dbraw/zinc/00/81/64/763008164.db2.gz MBRVUULEDGWAKQ-HNNXBMFYSA-N 2 1 303.410 0.032 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001129771478 763008324 /nfs/dbraw/zinc/00/83/24/763008324.db2.gz YFYASHKDAMXWGY-GJZGRUSLSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001129771478 763008327 /nfs/dbraw/zinc/00/83/27/763008327.db2.gz YFYASHKDAMXWGY-GJZGRUSLSA-N 2 1 307.438 0.605 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972466 763177733 /nfs/dbraw/zinc/17/77/33/763177733.db2.gz WYLXALVJOYOZGO-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130615605 763401454 /nfs/dbraw/zinc/40/14/54/763401454.db2.gz OGCFCSSMOQWWFY-UHFFFAOYSA-N 2 1 324.469 0.647 20 30 DCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001100522900 763632023 /nfs/dbraw/zinc/63/20/23/763632023.db2.gz MJLBBBIGQSOWOG-KUNBBXKYSA-N 2 1 319.449 0.910 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435119 764455846 /nfs/dbraw/zinc/45/58/46/764455846.db2.gz BMGDJRLFWQMECQ-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132435119 764455849 /nfs/dbraw/zinc/45/58/49/764455849.db2.gz BMGDJRLFWQMECQ-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132435119 764455856 /nfs/dbraw/zinc/45/58/56/764455856.db2.gz BMGDJRLFWQMECQ-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132435119 764455859 /nfs/dbraw/zinc/45/58/59/764455859.db2.gz BMGDJRLFWQMECQ-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098479285 764524308 /nfs/dbraw/zinc/52/43/08/764524308.db2.gz ZPCBKEZHKYWBQW-GDBMZVCRSA-N 2 1 309.454 0.655 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479285 764524312 /nfs/dbraw/zinc/52/43/12/764524312.db2.gz ZPCBKEZHKYWBQW-GDBMZVCRSA-N 2 1 309.454 0.655 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479285 764524316 /nfs/dbraw/zinc/52/43/16/764524316.db2.gz ZPCBKEZHKYWBQW-GDBMZVCRSA-N 2 1 309.454 0.655 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468331 764653701 /nfs/dbraw/zinc/65/37/01/764653701.db2.gz CUJDNMBNFVHLRO-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468331 764653707 /nfs/dbraw/zinc/65/37/07/764653707.db2.gz CUJDNMBNFVHLRO-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473983 764655298 /nfs/dbraw/zinc/65/52/98/764655298.db2.gz ZJFORDKBQFPMFB-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819598 764830181 /nfs/dbraw/zinc/83/01/81/764830181.db2.gz WWMOCKOLCDFCTB-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819598 764830185 /nfs/dbraw/zinc/83/01/85/764830185.db2.gz WWMOCKOLCDFCTB-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819598 764830192 /nfs/dbraw/zinc/83/01/92/764830192.db2.gz WWMOCKOLCDFCTB-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819598 764830193 /nfs/dbraw/zinc/83/01/93/764830193.db2.gz WWMOCKOLCDFCTB-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092278305 768254958 /nfs/dbraw/zinc/25/49/58/768254958.db2.gz LNSPPVGGGGPXSP-WBVHZDCISA-N 2 1 300.406 0.995 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092278305 768254959 /nfs/dbraw/zinc/25/49/59/768254959.db2.gz LNSPPVGGGGPXSP-WBVHZDCISA-N 2 1 300.406 0.995 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133867936 765194099 /nfs/dbraw/zinc/19/40/99/765194099.db2.gz YMBYYRMQQUBAOF-GJZGRUSLSA-N 2 1 322.453 0.091 20 30 DCEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001133869731 765196566 /nfs/dbraw/zinc/19/65/66/765196566.db2.gz KERLUGCEZNAYTA-XJKSGUPXSA-N 2 1 300.406 0.962 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134768871 765662645 /nfs/dbraw/zinc/66/26/45/765662645.db2.gz GWSMTOWJHBRKEW-HUUCEWRRSA-N 2 1 324.469 0.646 20 30 DCEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124866661 768317656 /nfs/dbraw/zinc/31/76/56/768317656.db2.gz IINHFYDCAZPXHS-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135029750 765770134 /nfs/dbraw/zinc/77/01/34/765770134.db2.gz RICCQHVJSCJQAH-ZIAGYGMSSA-N 2 1 306.410 0.714 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090673620 766457615 /nfs/dbraw/zinc/45/76/15/766457615.db2.gz LQJMFNGSQPMONF-HOTGVXAUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@]2(C)C1 ZINC001091564967 767469316 /nfs/dbraw/zinc/46/93/16/767469316.db2.gz ARCOPSUQIZTNSI-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091564967 767469320 /nfs/dbraw/zinc/46/93/20/767469320.db2.gz ARCOPSUQIZTNSI-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091564967 767469322 /nfs/dbraw/zinc/46/93/22/767469322.db2.gz ARCOPSUQIZTNSI-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091564967 767469323 /nfs/dbraw/zinc/46/93/23/767469323.db2.gz ARCOPSUQIZTNSI-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091564967 767469328 /nfs/dbraw/zinc/46/93/28/767469328.db2.gz ARCOPSUQIZTNSI-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001121915470 767667505 /nfs/dbraw/zinc/66/75/05/767667505.db2.gz IIFWOQLMUMQPPG-UHFFFAOYSA-N 2 1 319.449 0.749 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159361 769117218 /nfs/dbraw/zinc/11/72/18/769117218.db2.gz MNDPPKQINREZAE-PMPSAXMXSA-N 2 1 307.438 0.698 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159361 769117220 /nfs/dbraw/zinc/11/72/20/769117220.db2.gz MNDPPKQINREZAE-PMPSAXMXSA-N 2 1 307.438 0.698 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159361 769117224 /nfs/dbraw/zinc/11/72/24/769117224.db2.gz MNDPPKQINREZAE-PMPSAXMXSA-N 2 1 307.438 0.698 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159361 769117227 /nfs/dbraw/zinc/11/72/27/769117227.db2.gz MNDPPKQINREZAE-PMPSAXMXSA-N 2 1 307.438 0.698 20 30 DCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2cncn2C)C1 ZINC001150654714 769151795 /nfs/dbraw/zinc/15/17/95/769151795.db2.gz ZLUSRXOWSMPQBI-HNNXBMFYSA-N 2 1 306.410 0.746 20 30 DCEDMP C=CCN1CCCO[C@@H](CNC(=O)CCc2cncn2C)C1 ZINC001150654714 769151799 /nfs/dbraw/zinc/15/17/99/769151799.db2.gz ZLUSRXOWSMPQBI-HNNXBMFYSA-N 2 1 306.410 0.746 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171732297 769360177 /nfs/dbraw/zinc/36/01/77/769360177.db2.gz ZKGOLIIFNJNKGL-CQSZACIVSA-N 2 1 312.458 0.505 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001094951718 769507017 /nfs/dbraw/zinc/50/70/17/769507017.db2.gz JREXKNCOBNNNBH-IHRRRGAJSA-N 2 1 316.405 0.952 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828958 769952129 /nfs/dbraw/zinc/95/21/29/769952129.db2.gz VIGZHXRSITUBRM-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181008859 771217481 /nfs/dbraw/zinc/21/74/81/771217481.db2.gz LZMAYUDWXOTQKC-BFYDXBDKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181008859 771217486 /nfs/dbraw/zinc/21/74/86/771217486.db2.gz LZMAYUDWXOTQKC-BFYDXBDKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001181763228 771344584 /nfs/dbraw/zinc/34/45/84/771344584.db2.gz CTLLGQLGZIUODO-HLLBOEOZSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001181763228 771344588 /nfs/dbraw/zinc/34/45/88/771344588.db2.gz CTLLGQLGZIUODO-HLLBOEOZSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccn(C)n1 ZINC001160198115 772007267 /nfs/dbraw/zinc/00/72/67/772007267.db2.gz SMQWNWLHDCWLFO-HNNXBMFYSA-N 2 1 303.410 0.114 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccn(C)n1 ZINC001160198115 772007271 /nfs/dbraw/zinc/00/72/71/772007271.db2.gz SMQWNWLHDCWLFO-HNNXBMFYSA-N 2 1 303.410 0.114 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC1CC1 ZINC001160209383 772009779 /nfs/dbraw/zinc/00/97/79/772009779.db2.gz KHGDAZCWMUAHSZ-INIZCTEOSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC1CC1 ZINC001160209383 772009781 /nfs/dbraw/zinc/00/97/81/772009781.db2.gz KHGDAZCWMUAHSZ-INIZCTEOSA-N 2 1 307.438 0.607 20 30 DCEDMP N#Cc1cc2c(nc1N[C@]1(C[NH3+])C[NH+]3CCC1CC3)CCOC2 ZINC001160518862 772057361 /nfs/dbraw/zinc/05/73/61/772057361.db2.gz IRLKUMJKLXFUCR-QGZVFWFLSA-N 2 1 313.405 0.861 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181529 772432767 /nfs/dbraw/zinc/43/27/67/772432767.db2.gz ALYLKHCUSRXEMJ-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644141 772656975 /nfs/dbraw/zinc/65/69/75/772656975.db2.gz FQDRIGQMBQOKFK-HZPDHXFCSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644141 772656977 /nfs/dbraw/zinc/65/69/77/772656977.db2.gz FQDRIGQMBQOKFK-HZPDHXFCSA-N 2 1 317.437 0.369 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001166677124 772838254 /nfs/dbraw/zinc/83/82/54/772838254.db2.gz FVXYCLKVEVXFLX-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203508612 772910384 /nfs/dbraw/zinc/91/03/84/772910384.db2.gz ZREPBLSHMFIZHZ-CABCVRRESA-N 2 1 307.438 0.912 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208640020 773509936 /nfs/dbraw/zinc/50/99/36/773509936.db2.gz XLLVPNMBZWLEJF-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242820 773573601 /nfs/dbraw/zinc/57/36/01/773573601.db2.gz OPKINVBSGUJVPX-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242820 773573603 /nfs/dbraw/zinc/57/36/03/773573603.db2.gz OPKINVBSGUJVPX-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209626173 773626327 /nfs/dbraw/zinc/62/63/27/773626327.db2.gz OLXIDGUHNNMZTD-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209626173 773626331 /nfs/dbraw/zinc/62/63/31/773626331.db2.gz OLXIDGUHNNMZTD-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197038585 773688453 /nfs/dbraw/zinc/68/84/53/773688453.db2.gz XMSJJTOIADILON-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197038585 773688454 /nfs/dbraw/zinc/68/84/54/773688454.db2.gz XMSJJTOIADILON-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210812401 773741357 /nfs/dbraw/zinc/74/13/57/773741357.db2.gz ZHIGZKDFGIIPER-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197691630 773784411 /nfs/dbraw/zinc/78/44/11/773784411.db2.gz LMTFQRBQGWJJRP-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197691630 773784415 /nfs/dbraw/zinc/78/44/15/773784415.db2.gz LMTFQRBQGWJJRP-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197691630 773784418 /nfs/dbraw/zinc/78/44/18/773784418.db2.gz LMTFQRBQGWJJRP-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197691630 773784424 /nfs/dbraw/zinc/78/44/24/773784424.db2.gz LMTFQRBQGWJJRP-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197691630 773784427 /nfs/dbraw/zinc/78/44/27/773784427.db2.gz LMTFQRBQGWJJRP-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197691643 773784591 /nfs/dbraw/zinc/78/45/91/773784591.db2.gz LUKUGSMLHUAZDR-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197691643 773784596 /nfs/dbraw/zinc/78/45/96/773784596.db2.gz LUKUGSMLHUAZDR-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197691643 773784603 /nfs/dbraw/zinc/78/46/03/773784603.db2.gz LUKUGSMLHUAZDR-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197691643 773784608 /nfs/dbraw/zinc/78/46/08/773784608.db2.gz LUKUGSMLHUAZDR-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197691643 773784612 /nfs/dbraw/zinc/78/46/12/773784612.db2.gz LUKUGSMLHUAZDR-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001198671001 773963779 /nfs/dbraw/zinc/96/37/79/773963779.db2.gz AKICUMKAPJSIHN-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671001 773963784 /nfs/dbraw/zinc/96/37/84/773963784.db2.gz AKICUMKAPJSIHN-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729401 773967518 /nfs/dbraw/zinc/96/75/18/773967518.db2.gz NOMBJSWHNPAGPZ-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664307 774005967 /nfs/dbraw/zinc/00/59/67/774005967.db2.gz VYFMJCILJIYFFZ-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP N#Cc1cnc(NC(=O)C[NH2+]CCC[NH3+])c(Br)c1 ZINC001218552188 774244633 /nfs/dbraw/zinc/24/46/33/774244633.db2.gz NTIKIBSRYOJJPR-UHFFFAOYSA-N 2 1 312.171 0.593 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001201037987 774443480 /nfs/dbraw/zinc/44/34/80/774443480.db2.gz QYMZEVXJAKFVPI-MRXNPFEDSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001201320862 774487308 /nfs/dbraw/zinc/48/73/08/774487308.db2.gz AFZMCYGOJWPZAW-UHFFFAOYSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201638577 774530472 /nfs/dbraw/zinc/53/04/72/774530472.db2.gz APLQFYOPKUUQIB-HNNXBMFYSA-N 2 1 311.426 0.102 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864021 774560504 /nfs/dbraw/zinc/56/05/04/774560504.db2.gz RXDDUWBOHAOPFN-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114408937 774844987 /nfs/dbraw/zinc/84/49/87/774844987.db2.gz CZSZSDKRNFBSMU-JJXSEGSLSA-N 2 1 305.422 0.023 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073235 774989880 /nfs/dbraw/zinc/98/98/80/774989880.db2.gz LYRQSEISTOYASA-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111037103 775432584 /nfs/dbraw/zinc/43/25/84/775432584.db2.gz KQORMCYLUXOXLE-VQHPVUNQSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111037103 775432587 /nfs/dbraw/zinc/43/25/87/775432587.db2.gz KQORMCYLUXOXLE-VQHPVUNQSA-N 2 1 319.449 0.842 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001225228558 775656437 /nfs/dbraw/zinc/65/64/37/775656437.db2.gz QKZMXONLRPLHPA-UHFFFAOYSA-N 2 1 324.469 0.459 20 30 DCEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001225426590 775675671 /nfs/dbraw/zinc/67/56/71/775675671.db2.gz DBPOHCHREZFFJP-INIZCTEOSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001114733328 776081271 /nfs/dbraw/zinc/08/12/71/776081271.db2.gz ZPQHPMACISGJMY-SMLCLMEVSA-N 2 1 321.465 0.966 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114733328 776081279 /nfs/dbraw/zinc/08/12/79/776081279.db2.gz ZPQHPMACISGJMY-SMLCLMEVSA-N 2 1 321.465 0.966 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114733328 776081281 /nfs/dbraw/zinc/08/12/81/776081281.db2.gz ZPQHPMACISGJMY-SMLCLMEVSA-N 2 1 321.465 0.966 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229663369 776210390 /nfs/dbraw/zinc/21/03/90/776210390.db2.gz CRTDYZBJANPTBW-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230034383 776245772 /nfs/dbraw/zinc/24/57/72/776245772.db2.gz KEVMHMNJYRZLPD-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001230034383 776245778 /nfs/dbraw/zinc/24/57/78/776245778.db2.gz KEVMHMNJYRZLPD-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001230105309 776252321 /nfs/dbraw/zinc/25/23/21/776252321.db2.gz HRWLULMZSVHNDP-AWEZNQCLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001095917186 776386752 /nfs/dbraw/zinc/38/67/52/776386752.db2.gz STBOVVMVLSFGED-LTIDMASMSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001095917186 776386759 /nfs/dbraw/zinc/38/67/59/776386759.db2.gz STBOVVMVLSFGED-LTIDMASMSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095917186 776386764 /nfs/dbraw/zinc/38/67/64/776386764.db2.gz STBOVVMVLSFGED-LTIDMASMSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095917186 776386770 /nfs/dbraw/zinc/38/67/70/776386770.db2.gz STBOVVMVLSFGED-LTIDMASMSA-N 2 1 319.449 0.840 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041838273 777532882 /nfs/dbraw/zinc/53/28/82/777532882.db2.gz VOQBZQWFHAQYQR-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041838273 777532885 /nfs/dbraw/zinc/53/28/85/777532885.db2.gz VOQBZQWFHAQYQR-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041838273 777532887 /nfs/dbraw/zinc/53/28/87/777532887.db2.gz VOQBZQWFHAQYQR-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041838273 777532891 /nfs/dbraw/zinc/53/28/91/777532891.db2.gz VOQBZQWFHAQYQR-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCO)C3)C2)CC1 ZINC001041845072 777537937 /nfs/dbraw/zinc/53/79/37/777537937.db2.gz SGHDEDFTODOXLR-SFHVURJKSA-N 2 1 319.449 0.248 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317822512 945194990 /nfs/dbraw/zinc/19/49/90/945194990.db2.gz GPQHIPHWHCBMBA-UHFFFAOYSA-N 2 1 306.454 0.037 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001278288257 945208778 /nfs/dbraw/zinc/20/87/78/945208778.db2.gz CAVHNYQEFKXUBM-CVEARBPZSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001278288257 945208786 /nfs/dbraw/zinc/20/87/86/945208786.db2.gz CAVHNYQEFKXUBM-CVEARBPZSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001266288188 939051184 /nfs/dbraw/zinc/05/11/84/939051184.db2.gz BVBGSEKSUZQWEP-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001266288188 939051187 /nfs/dbraw/zinc/05/11/87/939051187.db2.gz BVBGSEKSUZQWEP-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266397234 939105059 /nfs/dbraw/zinc/10/50/59/939105059.db2.gz UUWFIJZZMGJWPL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266397234 939105062 /nfs/dbraw/zinc/10/50/62/939105062.db2.gz UUWFIJZZMGJWPL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266397234 939105063 /nfs/dbraw/zinc/10/50/63/939105063.db2.gz UUWFIJZZMGJWPL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266531145 939153807 /nfs/dbraw/zinc/15/38/07/939153807.db2.gz UNUGRFDFZIUSDJ-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001279431273 939160030 /nfs/dbraw/zinc/16/00/30/939160030.db2.gz JBBRJDKNCBNRIU-UHFFFAOYSA-N 2 1 320.481 0.664 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266586464 939171554 /nfs/dbraw/zinc/17/15/54/939171554.db2.gz ZKOIFSMOFWHYCJ-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266586464 939171557 /nfs/dbraw/zinc/17/15/57/939171557.db2.gz ZKOIFSMOFWHYCJ-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001266586464 939171559 /nfs/dbraw/zinc/17/15/59/939171559.db2.gz ZKOIFSMOFWHYCJ-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001266586464 939171563 /nfs/dbraw/zinc/17/15/63/939171563.db2.gz ZKOIFSMOFWHYCJ-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267194508 939381756 /nfs/dbraw/zinc/38/17/56/939381756.db2.gz QXMYGNSVYMZANN-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267303608 939420106 /nfs/dbraw/zinc/42/01/06/939420106.db2.gz PQPKOGUTIIMQEW-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267303608 939420107 /nfs/dbraw/zinc/42/01/07/939420107.db2.gz PQPKOGUTIIMQEW-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267303608 939420109 /nfs/dbraw/zinc/42/01/09/939420109.db2.gz PQPKOGUTIIMQEW-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267316252 939423159 /nfs/dbraw/zinc/42/31/59/939423159.db2.gz KCYYBEUYQKFIAD-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267316252 939423160 /nfs/dbraw/zinc/42/31/60/939423160.db2.gz KCYYBEUYQKFIAD-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267316252 939423161 /nfs/dbraw/zinc/42/31/61/939423161.db2.gz KCYYBEUYQKFIAD-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481109761 939564041 /nfs/dbraw/zinc/56/40/41/939564041.db2.gz ULHXJSKEHGKQNO-CQSZACIVSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC001268283118 940017992 /nfs/dbraw/zinc/01/79/92/940017992.db2.gz YHIDOBXCLISHKJ-HOCLYGCPSA-N 2 1 318.421 0.867 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCCOC1 ZINC001268648834 940316845 /nfs/dbraw/zinc/31/68/45/940316845.db2.gz YEPQAYFNFABHAV-PMPSAXMXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCCOC1 ZINC001268648834 940316849 /nfs/dbraw/zinc/31/68/49/940316849.db2.gz YEPQAYFNFABHAV-PMPSAXMXSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)CN1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001278426621 945324839 /nfs/dbraw/zinc/32/48/39/945324839.db2.gz IMHBHUHNNPXPOA-YOEHRIQHSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001482241392 940774657 /nfs/dbraw/zinc/77/46/57/940774657.db2.gz DWSGBCMINWFDCD-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001482241392 940774660 /nfs/dbraw/zinc/77/46/60/940774660.db2.gz DWSGBCMINWFDCD-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001270054774 940825478 /nfs/dbraw/zinc/82/54/78/940825478.db2.gz KKNCYAPKPGSQIO-MRXNPFEDSA-N 2 1 301.390 0.356 20 30 DCEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001270054774 940825479 /nfs/dbraw/zinc/82/54/79/940825479.db2.gz KKNCYAPKPGSQIO-MRXNPFEDSA-N 2 1 301.390 0.356 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001270650339 940953279 /nfs/dbraw/zinc/95/32/79/940953279.db2.gz SPRJNTVDYCPIEF-QGZVFWFLSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271229812 941329885 /nfs/dbraw/zinc/32/98/85/941329885.db2.gz XHFAJURFRZLXKM-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001271874500 941471008 /nfs/dbraw/zinc/47/10/08/941471008.db2.gz ZNQWWNJMUHXGIP-GASCZTMLSA-N 2 1 322.453 0.021 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC#CCOC)CC[N@H+]1C ZINC001482596645 941566549 /nfs/dbraw/zinc/56/65/49/941566549.db2.gz ASZFQYBURYHCIB-JKSUJKDBSA-N 2 1 309.454 0.757 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)CC#CCOC)CC[NH+]1C ZINC001482596645 941566550 /nfs/dbraw/zinc/56/65/50/941566550.db2.gz ASZFQYBURYHCIB-JKSUJKDBSA-N 2 1 309.454 0.757 20 30 DCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482929826 941715164 /nfs/dbraw/zinc/71/51/64/941715164.db2.gz LMEBNIJOCSRZHD-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001496822408 941837698 /nfs/dbraw/zinc/83/76/98/941837698.db2.gz VWKNAARWNKQKCE-LSDHHAIUSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001496822408 941837703 /nfs/dbraw/zinc/83/77/03/941837703.db2.gz VWKNAARWNKQKCE-LSDHHAIUSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594368 942028325 /nfs/dbraw/zinc/02/83/25/942028325.db2.gz YBMYNWNVASRFCM-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083594368 942028326 /nfs/dbraw/zinc/02/83/26/942028326.db2.gz YBMYNWNVASRFCM-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083594368 942028331 /nfs/dbraw/zinc/02/83/31/942028331.db2.gz YBMYNWNVASRFCM-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001279162989 942732003 /nfs/dbraw/zinc/73/20/03/942732003.db2.gz VXHJIKJRMUXMJH-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001272552979 942823136 /nfs/dbraw/zinc/82/31/36/942823136.db2.gz NFWDCJZNSWRHMJ-HNNXBMFYSA-N 2 1 315.377 0.524 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001272565812 942828229 /nfs/dbraw/zinc/82/82/29/942828229.db2.gz OZUDRIZOPKIGNR-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484223993 943219199 /nfs/dbraw/zinc/21/91/99/943219199.db2.gz PXSOIPXZPSPRNZ-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484223993 943219205 /nfs/dbraw/zinc/21/92/05/943219205.db2.gz PXSOIPXZPSPRNZ-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484223993 943219220 /nfs/dbraw/zinc/21/92/20/943219220.db2.gz PXSOIPXZPSPRNZ-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001485009762 943652545 /nfs/dbraw/zinc/65/25/45/943652545.db2.gz HUZSHVBRURAQOE-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCO)C1 ZINC001491153492 943790363 /nfs/dbraw/zinc/79/03/63/943790363.db2.gz LLYMWUAAQSBJHM-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCO)C1 ZINC001491153492 943790368 /nfs/dbraw/zinc/79/03/68/943790368.db2.gz LLYMWUAAQSBJHM-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001485935403 944418322 /nfs/dbraw/zinc/41/83/22/944418322.db2.gz RENQUKDZXGUNPR-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001486034318 944514690 /nfs/dbraw/zinc/51/46/90/944514690.db2.gz PNKDXVCNPVYKBT-LSDHHAIUSA-N 2 1 320.437 0.787 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001277360024 944784261 /nfs/dbraw/zinc/78/42/61/944784261.db2.gz MVTMYZSZXNYCHG-ZACQAIPSSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001277360024 944784268 /nfs/dbraw/zinc/78/42/68/944784268.db2.gz MVTMYZSZXNYCHG-ZACQAIPSSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277360024 944784276 /nfs/dbraw/zinc/78/42/76/944784276.db2.gz MVTMYZSZXNYCHG-ZACQAIPSSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277360024 944784283 /nfs/dbraw/zinc/78/42/83/944784283.db2.gz MVTMYZSZXNYCHG-ZACQAIPSSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317114178 944803441 /nfs/dbraw/zinc/80/34/41/944803441.db2.gz TWNFKOGMYYOPOA-MELADBBJSA-N 2 1 322.453 0.398 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277423243 944814583 /nfs/dbraw/zinc/81/45/83/944814583.db2.gz OHKBPTYVQOLEFN-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001317162728 944832330 /nfs/dbraw/zinc/83/23/30/944832330.db2.gz QNQAVDPRNZZNQB-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317172793 944834874 /nfs/dbraw/zinc/83/48/74/944834874.db2.gz DZURGCIDDZJSOJ-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317172793 944834880 /nfs/dbraw/zinc/83/48/80/944834880.db2.gz DZURGCIDDZJSOJ-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317327903 944926518 /nfs/dbraw/zinc/92/65/18/944926518.db2.gz YFROTVKDSPEZMG-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN(CC)C(=O)C1 ZINC001246305031 945380860 /nfs/dbraw/zinc/38/08/60/945380860.db2.gz OCQHTSVYKXYIQF-KBPBESRZSA-N 2 1 311.426 0.814 20 30 DCEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247003090 945540664 /nfs/dbraw/zinc/54/06/64/945540664.db2.gz NGPGMIMLRNYPRT-KGLIPLIRSA-N 2 1 308.426 0.457 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001278512261 945615809 /nfs/dbraw/zinc/61/58/09/945615809.db2.gz PFYXQDQXGGZSDY-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCOC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001251885581 945809209 /nfs/dbraw/zinc/80/92/09/945809209.db2.gz YQGPQLKKQOFMIE-SFHVURJKSA-N 2 1 318.417 0.619 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC001278889565 946554716 /nfs/dbraw/zinc/55/47/16/946554716.db2.gz YSOAPRKHROGEDA-MRXNPFEDSA-N 2 1 309.454 0.491 20 30 DCEDMP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001322156550 946594034 /nfs/dbraw/zinc/59/40/34/946594034.db2.gz LCMKSGWWYVRWFH-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001322156550 946594044 /nfs/dbraw/zinc/59/40/44/946594044.db2.gz LCMKSGWWYVRWFH-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001322156550 946594050 /nfs/dbraw/zinc/59/40/50/946594050.db2.gz LCMKSGWWYVRWFH-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001322156550 946594061 /nfs/dbraw/zinc/59/40/61/946594061.db2.gz LCMKSGWWYVRWFH-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C=C(Br)CN[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001410790215 946940146 /nfs/dbraw/zinc/94/01/46/946940146.db2.gz QKGIPXAGQXMCQI-LLVKDONJSA-N 2 1 322.247 0.302 20 30 DCEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001410790215 946940158 /nfs/dbraw/zinc/94/01/58/946940158.db2.gz QKGIPXAGQXMCQI-LLVKDONJSA-N 2 1 322.247 0.302 20 30 DCEDMP C=C[C@H](COC)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001325635658 947862923 /nfs/dbraw/zinc/86/29/23/947862923.db2.gz WWAHMPVBEUMBPO-CQSZACIVSA-N 2 1 312.458 0.855 20 30 DCEDMP C=C[C@H](COC)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001325635658 947862928 /nfs/dbraw/zinc/86/29/28/947862928.db2.gz WWAHMPVBEUMBPO-CQSZACIVSA-N 2 1 312.458 0.855 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001325784753 947923048 /nfs/dbraw/zinc/92/30/48/947923048.db2.gz XDGBKGXPXRYFLT-INIZCTEOSA-N 2 1 306.454 0.274 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001325846366 947950007 /nfs/dbraw/zinc/95/00/07/947950007.db2.gz HCQBSUOAOLVYLC-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001326760962 948270934 /nfs/dbraw/zinc/27/09/34/948270934.db2.gz YOWMIPUFVBLZFC-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001273864525 948640459 /nfs/dbraw/zinc/64/04/59/948640459.db2.gz XVYCSFLVPOUOCK-PBHICJAKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@H]1OCC ZINC001264527989 948996659 /nfs/dbraw/zinc/99/66/59/948996659.db2.gz GIEHTCBYLGXAJB-IXDOHACOSA-N 2 1 317.433 0.170 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@H]1OCC ZINC001264527989 948996671 /nfs/dbraw/zinc/99/66/71/948996671.db2.gz GIEHTCBYLGXAJB-IXDOHACOSA-N 2 1 317.433 0.170 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001264634142 949039474 /nfs/dbraw/zinc/03/94/74/949039474.db2.gz KHHFXVSGSMNDSD-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264634142 949039493 /nfs/dbraw/zinc/03/94/93/949039493.db2.gz KHHFXVSGSMNDSD-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001264634142 949039512 /nfs/dbraw/zinc/03/95/12/949039512.db2.gz KHHFXVSGSMNDSD-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#CC)C1 ZINC001488916005 949338115 /nfs/dbraw/zinc/33/81/15/949338115.db2.gz MCRLZHNSZUZZQP-BBWFWOEESA-N 2 1 301.434 0.982 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#CC)C1 ZINC001488916005 949338139 /nfs/dbraw/zinc/33/81/39/949338139.db2.gz MCRLZHNSZUZZQP-BBWFWOEESA-N 2 1 301.434 0.982 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001265266432 949521138 /nfs/dbraw/zinc/52/11/38/949521138.db2.gz MXJXCODKHCYBCD-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001265266432 949521157 /nfs/dbraw/zinc/52/11/57/949521157.db2.gz MXJXCODKHCYBCD-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001265288583 949560539 /nfs/dbraw/zinc/56/05/39/949560539.db2.gz WWRDOWDZMDRWII-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001265288583 949560550 /nfs/dbraw/zinc/56/05/50/949560550.db2.gz WWRDOWDZMDRWII-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001265288583 949560561 /nfs/dbraw/zinc/56/05/61/949560561.db2.gz WWRDOWDZMDRWII-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001265288583 949560571 /nfs/dbraw/zinc/56/05/71/949560571.db2.gz WWRDOWDZMDRWII-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001329532881 949664244 /nfs/dbraw/zinc/66/42/44/949664244.db2.gz RVCMANGWPBKGAG-ZDUSSCGKSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001329532881 949664257 /nfs/dbraw/zinc/66/42/57/949664257.db2.gz RVCMANGWPBKGAG-ZDUSSCGKSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001489291429 949672356 /nfs/dbraw/zinc/67/23/56/949672356.db2.gz LMDMYPZVBISVJS-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001489291429 949672368 /nfs/dbraw/zinc/67/23/68/949672368.db2.gz LMDMYPZVBISVJS-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001489291429 949672379 /nfs/dbraw/zinc/67/23/79/949672379.db2.gz LMDMYPZVBISVJS-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001489291429 949672388 /nfs/dbraw/zinc/67/23/88/949672388.db2.gz LMDMYPZVBISVJS-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265597227 949805040 /nfs/dbraw/zinc/80/50/40/949805040.db2.gz SZPGIQABNUZULA-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001265658277 949852995 /nfs/dbraw/zinc/85/29/95/949852995.db2.gz VPZPPEKQGCEQJF-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001265658277 949853019 /nfs/dbraw/zinc/85/30/19/949853019.db2.gz VPZPPEKQGCEQJF-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001265658277 949853045 /nfs/dbraw/zinc/85/30/45/949853045.db2.gz VPZPPEKQGCEQJF-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001265658277 949853069 /nfs/dbraw/zinc/85/30/69/949853069.db2.gz VPZPPEKQGCEQJF-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001330686505 950588811 /nfs/dbraw/zinc/58/88/11/950588811.db2.gz LZLSPRSEARLGRP-BZUAXINKSA-N 2 1 307.438 0.462 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001279489295 950591314 /nfs/dbraw/zinc/59/13/14/950591314.db2.gz DBDATZQUFQWRQK-INMHGKMJSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001279489295 950591322 /nfs/dbraw/zinc/59/13/22/950591322.db2.gz DBDATZQUFQWRQK-INMHGKMJSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001279489295 950591337 /nfs/dbraw/zinc/59/13/37/950591337.db2.gz DBDATZQUFQWRQK-INMHGKMJSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001279489295 950591355 /nfs/dbraw/zinc/59/13/55/950591355.db2.gz DBDATZQUFQWRQK-INMHGKMJSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001279489293 950592644 /nfs/dbraw/zinc/59/26/44/950592644.db2.gz DBDATZQUFQWRQK-BFYDXBDKSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001279489293 950592660 /nfs/dbraw/zinc/59/26/60/950592660.db2.gz DBDATZQUFQWRQK-BFYDXBDKSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001279489293 950592677 /nfs/dbraw/zinc/59/26/77/950592677.db2.gz DBDATZQUFQWRQK-BFYDXBDKSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001279489293 950592694 /nfs/dbraw/zinc/59/26/94/950592694.db2.gz DBDATZQUFQWRQK-BFYDXBDKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+](C[C@H](O)C1CC1)C1CCN(C[C@H](O)C2CC2)CC1 ZINC001330708615 950599267 /nfs/dbraw/zinc/59/92/67/950599267.db2.gz RKVIWUFPESHROE-ROUUACIJSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@@H+](C[C@H](O)C1CC1)C1CCN(C[C@H](O)C2CC2)CC1 ZINC001330708615 950599286 /nfs/dbraw/zinc/59/92/86/950599286.db2.gz RKVIWUFPESHROE-ROUUACIJSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@@H+](C[C@H](O)C1CC1)C1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC001330708615 950599306 /nfs/dbraw/zinc/59/93/06/950599306.db2.gz RKVIWUFPESHROE-ROUUACIJSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@H+](C[C@H](O)C1CC1)C1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC001330708615 950599323 /nfs/dbraw/zinc/59/93/23/950599323.db2.gz RKVIWUFPESHROE-ROUUACIJSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001490473544 950714824 /nfs/dbraw/zinc/71/48/24/950714824.db2.gz QAYHQXPUARENKF-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001490473544 950714844 /nfs/dbraw/zinc/71/48/44/950714844.db2.gz QAYHQXPUARENKF-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001490473544 950714862 /nfs/dbraw/zinc/71/48/62/950714862.db2.gz QAYHQXPUARENKF-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001274617239 951743730 /nfs/dbraw/zinc/74/37/30/951743730.db2.gz WGXNXPVPKUMHML-DLBZAZTESA-N 2 1 318.421 0.782 20 30 DCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001332663368 951751443 /nfs/dbraw/zinc/75/14/43/951751443.db2.gz MYEKEBWTMDYUCZ-GOEBONIOSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001332663368 951751448 /nfs/dbraw/zinc/75/14/48/951751448.db2.gz MYEKEBWTMDYUCZ-GOEBONIOSA-N 2 1 320.437 0.691 20 30 DCEDMP C#CCN1CC[NH+](CCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001274878546 951870531 /nfs/dbraw/zinc/87/05/31/951870531.db2.gz AZCIYXRCRSROQJ-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ncn1 ZINC001275185335 951990653 /nfs/dbraw/zinc/99/06/53/951990653.db2.gz SIJGAVSAQMXIBI-HOCLYGCPSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ncn1 ZINC001275185335 951990657 /nfs/dbraw/zinc/99/06/57/951990657.db2.gz SIJGAVSAQMXIBI-HOCLYGCPSA-N 2 1 315.421 0.477 20 30 DCEDMP CC#CC[N@H+](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001275680385 952376308 /nfs/dbraw/zinc/37/63/08/952376308.db2.gz MHEWMVLIKVLWHF-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001275680385 952376312 /nfs/dbraw/zinc/37/63/12/952376312.db2.gz MHEWMVLIKVLWHF-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001276013776 952622628 /nfs/dbraw/zinc/62/26/28/952622628.db2.gz ZPXBLQSQIWSQIA-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001276013776 952622633 /nfs/dbraw/zinc/62/26/33/952622633.db2.gz ZPXBLQSQIWSQIA-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001276013776 952622636 /nfs/dbraw/zinc/62/26/36/952622636.db2.gz ZPXBLQSQIWSQIA-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001341732431 953248041 /nfs/dbraw/zinc/24/80/41/953248041.db2.gz JXFPCCMRUXCXLD-CVEARBPZSA-N 2 1 308.470 0.908 20 30 DCEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001343474301 953348818 /nfs/dbraw/zinc/34/88/18/953348818.db2.gz UVAFAOIYIMDVIV-RRFJBIMHSA-N 2 1 308.426 0.455 20 30 DCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001282725153 953662132 /nfs/dbraw/zinc/66/21/32/953662132.db2.gz MNTLVRPKJDIWAQ-AWEZNQCLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001282812741 953683008 /nfs/dbraw/zinc/68/30/08/953683008.db2.gz YJNMHDMIAKHDIJ-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001282812741 953683012 /nfs/dbraw/zinc/68/30/12/953683012.db2.gz YJNMHDMIAKHDIJ-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001282812741 953683018 /nfs/dbraw/zinc/68/30/18/953683018.db2.gz YJNMHDMIAKHDIJ-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001282812741 953683021 /nfs/dbraw/zinc/68/30/21/953683021.db2.gz YJNMHDMIAKHDIJ-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001284508584 955141743 /nfs/dbraw/zinc/14/17/43/955141743.db2.gz FEECZCUJMDJJKU-IRXDYDNUSA-N 2 1 323.481 0.883 20 30 DCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001284508584 955141747 /nfs/dbraw/zinc/14/17/47/955141747.db2.gz FEECZCUJMDJJKU-IRXDYDNUSA-N 2 1 323.481 0.883 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001284520116 955152399 /nfs/dbraw/zinc/15/23/99/955152399.db2.gz OKWFWHYMURSCTL-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001284520116 955152405 /nfs/dbraw/zinc/15/24/05/955152405.db2.gz OKWFWHYMURSCTL-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001284520116 955152413 /nfs/dbraw/zinc/15/24/13/955152413.db2.gz OKWFWHYMURSCTL-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001284520116 955152420 /nfs/dbraw/zinc/15/24/20/955152420.db2.gz OKWFWHYMURSCTL-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001284520116 955152427 /nfs/dbraw/zinc/15/24/27/955152427.db2.gz OKWFWHYMURSCTL-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001491956284 959446910 /nfs/dbraw/zinc/44/69/10/959446910.db2.gz KUEBDUSFWRARFM-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001491956284 959446904 /nfs/dbraw/zinc/44/69/04/959446904.db2.gz KUEBDUSFWRARFM-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001491956284 959446918 /nfs/dbraw/zinc/44/69/18/959446918.db2.gz KUEBDUSFWRARFM-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001491956284 959446928 /nfs/dbraw/zinc/44/69/28/959446928.db2.gz KUEBDUSFWRARFM-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001317057238 960341648 /nfs/dbraw/zinc/34/16/48/960341648.db2.gz PMIDOVOGMDFSMK-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001502603090 1015993326 /nfs/dbraw/zinc/99/33/26/1015993326.db2.gz GCXCALOZBBHBMM-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001502834509 1016094335 /nfs/dbraw/zinc/09/43/35/1016094335.db2.gz LXUBNWPVXNSYPO-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001507568293 1016457498 /nfs/dbraw/zinc/45/74/98/1016457498.db2.gz QSKDGAZZEVZHOP-JKSUJKDBSA-N 2 1 303.406 0.331 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001471830743 1016663004 /nfs/dbraw/zinc/66/30/04/1016663004.db2.gz XPHFNSQCEYIFJX-UHFFFAOYSA-N 2 1 310.442 0.117 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001471830743 1016663012 /nfs/dbraw/zinc/66/30/12/1016663012.db2.gz XPHFNSQCEYIFJX-UHFFFAOYSA-N 2 1 310.442 0.117 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001506065426 1016968654 /nfs/dbraw/zinc/96/86/54/1016968654.db2.gz OVFGEXQIFDCDBJ-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446773431 1012971982 /nfs/dbraw/zinc/97/19/82/1012971982.db2.gz JSEUQESTVHKBHO-OAHLLOKOSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446773431 1012971998 /nfs/dbraw/zinc/97/19/98/1012971998.db2.gz JSEUQESTVHKBHO-OAHLLOKOSA-N 2 1 315.845 0.634 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001521490669 1017386734 /nfs/dbraw/zinc/38/67/34/1017386734.db2.gz UIOUZCOIAUCALH-CVEARBPZSA-N 2 1 324.469 0.193 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001494686656 1017950796 /nfs/dbraw/zinc/95/07/96/1017950796.db2.gz XMAJBUJTRLPDJC-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001494686656 1017950801 /nfs/dbraw/zinc/95/08/01/1017950801.db2.gz XMAJBUJTRLPDJC-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001494686656 1017950807 /nfs/dbraw/zinc/95/08/07/1017950807.db2.gz XMAJBUJTRLPDJC-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001494686656 1017950816 /nfs/dbraw/zinc/95/08/16/1017950816.db2.gz XMAJBUJTRLPDJC-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001494864082 1018113543 /nfs/dbraw/zinc/11/35/43/1018113543.db2.gz PRUIENGHRKHLJM-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001494864082 1018113547 /nfs/dbraw/zinc/11/35/47/1018113547.db2.gz PRUIENGHRKHLJM-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001494864082 1018113550 /nfs/dbraw/zinc/11/35/50/1018113550.db2.gz PRUIENGHRKHLJM-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001494864082 1018113554 /nfs/dbraw/zinc/11/35/54/1018113554.db2.gz PRUIENGHRKHLJM-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001480115185 1018219110 /nfs/dbraw/zinc/21/91/10/1018219110.db2.gz MBPKRCGSYVKSDA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001497578861 1018244906 /nfs/dbraw/zinc/24/49/06/1018244906.db2.gz KUIJFZSNYXIAGR-YIEVGGLXSA-N 2 1 307.438 0.771 20 30 DCEDMP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500401487 1018439833 /nfs/dbraw/zinc/43/98/33/1018439833.db2.gz FYDCRDCBUAQAGP-NVXWUHKLSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500542956 1018488008 /nfs/dbraw/zinc/48/80/08/1018488008.db2.gz PAFOVFMSYHYZAV-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001495568321 1018577606 /nfs/dbraw/zinc/57/76/06/1018577606.db2.gz GHRPOQSFIPJKSZ-CYBMUJFWSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480538075 1018638660 /nfs/dbraw/zinc/63/86/60/1018638660.db2.gz STZITNYTMWKZQJ-ZIAGYGMSSA-N 2 1 324.469 0.197 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498312333 1018937167 /nfs/dbraw/zinc/93/71/67/1018937167.db2.gz JFSYPAGMSIHYAQ-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498312333 1018937180 /nfs/dbraw/zinc/93/71/80/1018937180.db2.gz JFSYPAGMSIHYAQ-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001493205738 1019199890 /nfs/dbraw/zinc/19/98/90/1019199890.db2.gz GTWGSMUXIUQJAH-OWCLPIDISA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001493205738 1019199895 /nfs/dbraw/zinc/19/98/95/1019199895.db2.gz GTWGSMUXIUQJAH-OWCLPIDISA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001493205738 1019199899 /nfs/dbraw/zinc/19/98/99/1019199899.db2.gz GTWGSMUXIUQJAH-OWCLPIDISA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H]1CCCOC1 ZINC001496717727 1019567474 /nfs/dbraw/zinc/56/74/74/1019567474.db2.gz AGAUSQARXHUNCN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC001496717727 1019567488 /nfs/dbraw/zinc/56/74/88/1019567488.db2.gz AGAUSQARXHUNCN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H]1CCCOC1 ZINC001496717727 1019567501 /nfs/dbraw/zinc/56/75/01/1019567501.db2.gz AGAUSQARXHUNCN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H]1CCCOC1 ZINC001496717727 1019567514 /nfs/dbraw/zinc/56/75/14/1019567514.db2.gz AGAUSQARXHUNCN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NC(=O)CC[NH+](C)C ZINC001499169358 1019817939 /nfs/dbraw/zinc/81/79/39/1019817939.db2.gz RUOFNACORFFTEN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NC(=O)CC[NH+](C)C ZINC001499169358 1019817949 /nfs/dbraw/zinc/81/79/49/1019817949.db2.gz RUOFNACORFFTEN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001660926711 1174069278 /nfs/dbraw/zinc/06/92/78/1174069278.db2.gz ZVYWNTVFYUCZRP-HZPDHXFCSA-N 2 1 306.454 0.084 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001660926711 1174069285 /nfs/dbraw/zinc/06/92/85/1174069285.db2.gz ZVYWNTVFYUCZRP-HZPDHXFCSA-N 2 1 306.454 0.084 20 30 DCEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262317938 529809086 /nfs/dbraw/zinc/80/90/86/529809086.db2.gz RAGKXLPNLSSTMI-CJNGLKHVSA-N 2 1 304.394 0.481 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCCO[C@@H](C(C)C)C2)CC1 ZINC000491210416 241109380 /nfs/dbraw/zinc/10/93/80/241109380.db2.gz UAEWDLMRDQJDDJ-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCN1CCN(C(=O)CN2CCCO[C@@H](C(C)C)C2)CC1 ZINC000491210416 241109384 /nfs/dbraw/zinc/10/93/84/241109384.db2.gz UAEWDLMRDQJDDJ-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329441133 396844201 /nfs/dbraw/zinc/84/42/01/396844201.db2.gz KXVVEFBGSOGSQW-CABCVRRESA-N 2 1 311.474 0.610 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492880 397192950 /nfs/dbraw/zinc/19/29/50/397192950.db2.gz GIXRWRMGGNLDJC-KBPBESRZSA-N 2 1 308.426 0.710 20 30 DCEDMP C#CCN1CCN(C(=O)CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC000490899836 397498711 /nfs/dbraw/zinc/49/87/11/397498711.db2.gz PWBFFHYWIZHXCQ-JKSUJKDBSA-N 2 1 306.454 0.178 20 30 DCEDMP C#CCN1CCN(C(=O)CN(C)C(C)(C)CC(=O)OCC)CC1 ZINC000490893066 397499017 /nfs/dbraw/zinc/49/90/17/397499017.db2.gz RHOSNQPFBWGIJX-UHFFFAOYSA-N 2 1 323.437 0.427 20 30 DCEDMP C#CCN1CCN(C(=O)CN2CCOCC3(CCC3)C2)CC1 ZINC000490973171 397499269 /nfs/dbraw/zinc/49/92/69/397499269.db2.gz JKYVWUFXLUPOIP-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP N#CCc1ccc(OC[C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000603833265 397622971 /nfs/dbraw/zinc/62/29/71/397622971.db2.gz DGCZHKLKZLDQCQ-HRCADAONSA-N 2 1 301.390 0.644 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Cl)nc1 ZINC000104160466 415623445 /nfs/dbraw/zinc/62/34/45/415623445.db2.gz DCOUTXPZCUBUPX-UHFFFAOYSA-N 2 1 311.817 0.862 20 30 DCEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344009539 415816642 /nfs/dbraw/zinc/81/66/42/415816642.db2.gz AZQRSGNRGCNXQR-HNNXBMFYSA-N 2 1 323.485 0.753 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000337177994 415922249 /nfs/dbraw/zinc/92/22/49/415922249.db2.gz KJAOFQZNAQSQAJ-HZPDHXFCSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+](C)CCc2ccccn2)CC1 ZINC000152959513 415973853 /nfs/dbraw/zinc/97/38/53/415973853.db2.gz NEODROLXSCPYMH-UHFFFAOYSA-N 2 1 300.406 0.333 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+](C)CCc2ccccn2)CC1 ZINC000152959513 415973858 /nfs/dbraw/zinc/97/38/58/415973858.db2.gz NEODROLXSCPYMH-UHFFFAOYSA-N 2 1 300.406 0.333 20 30 DCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000329782333 416190734 /nfs/dbraw/zinc/19/07/34/416190734.db2.gz UHFNMZPODILVAD-OCCSQVGLSA-N 2 1 310.442 0.429 20 30 DCEDMP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1=CC[NH+](C)CC1 ZINC000329280728 416162239 /nfs/dbraw/zinc/16/22/39/416162239.db2.gz DRIMCZXOBJXKMS-DZGCQCFKSA-N 2 1 309.458 0.386 20 30 DCEDMP C[C@H](NC(=O)NC[C@@H]1C[NH+](C)CCN1C)C1=CC[N@H+](C)CC1 ZINC000329280728 416162241 /nfs/dbraw/zinc/16/22/41/416162241.db2.gz DRIMCZXOBJXKMS-DZGCQCFKSA-N 2 1 309.458 0.386 20 30 DCEDMP C[C@H](NC(=O)NC[C@@H]1CN(C)CCN1C)C1=CC[N@@H+](C)CC1 ZINC000329280728 416162249 /nfs/dbraw/zinc/16/22/49/416162249.db2.gz DRIMCZXOBJXKMS-DZGCQCFKSA-N 2 1 309.458 0.386 20 30 DCEDMP C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C1=CC[N@@H+](C)CC1 ZINC000330789219 416239497 /nfs/dbraw/zinc/23/94/97/416239497.db2.gz RTWYRIOUGJXJRV-CYBMUJFWSA-N 2 1 320.441 1.421 20 30 DCEDMP C[NH+]=C(NCc1ccnn1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261631992 416335534 /nfs/dbraw/zinc/33/55/34/416335534.db2.gz CLCLMZHEIPPBSS-CQSZACIVSA-N 2 1 320.441 0.150 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000420314260 416418282 /nfs/dbraw/zinc/41/82/82/416418282.db2.gz QLALPHZFGPPWAN-KBPBESRZSA-N 2 1 308.426 0.093 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000420314260 416418283 /nfs/dbraw/zinc/41/82/83/416418283.db2.gz QLALPHZFGPPWAN-KBPBESRZSA-N 2 1 308.426 0.093 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000491674640 416613045 /nfs/dbraw/zinc/61/30/45/416613045.db2.gz WHWZTHGCFABVEO-UHFFFAOYSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000491810342 416631526 /nfs/dbraw/zinc/63/15/26/416631526.db2.gz ZGNWKFVLSDAQLD-KRWDZBQOSA-N 2 1 315.417 0.482 20 30 DCEDMP C=CCCn1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)nn1 ZINC000655936425 418304486 /nfs/dbraw/zinc/30/44/86/418304486.db2.gz FAUXSGYXVODFOG-ZDUSSCGKSA-N 2 1 306.414 0.141 20 30 DCEDMP C=CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)nn1 ZINC000655936425 418304487 /nfs/dbraw/zinc/30/44/87/418304487.db2.gz FAUXSGYXVODFOG-ZDUSSCGKSA-N 2 1 306.414 0.141 20 30 DCEDMP C(#CC[N@H+]1CC[C@@H]2COC[C@@H]2C1)C[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000662037515 418377420 /nfs/dbraw/zinc/37/74/20/418377420.db2.gz UGKWLIMLUIPMJO-TVFCKZIOSA-N 2 1 304.434 0.926 20 30 DCEDMP C(#CC[N@@H+]1CC[C@@H]2COC[C@H]2C1)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037515 418377422 /nfs/dbraw/zinc/37/74/22/418377422.db2.gz UGKWLIMLUIPMJO-TVFCKZIOSA-N 2 1 304.434 0.926 20 30 DCEDMP C(#CC[N@H+]1CC[C@@H]2COC[C@H]2C1)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037515 418377424 /nfs/dbraw/zinc/37/74/24/418377424.db2.gz UGKWLIMLUIPMJO-TVFCKZIOSA-N 2 1 304.434 0.926 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc2n1CCCC2 ZINC000303892891 276184243 /nfs/dbraw/zinc/18/42/43/276184243.db2.gz ROWICPCYLMLIOP-LBPRGKRZSA-N 2 1 305.430 0.503 20 30 DCEDMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000330220186 336125777 /nfs/dbraw/zinc/12/57/77/336125777.db2.gz PZWRREQROTUNJE-MGPQQGTHSA-N 2 1 321.425 0.499 20 30 DCEDMP CC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330222810 336126550 /nfs/dbraw/zinc/12/65/50/336126550.db2.gz MUEANUSYZCIHNG-CVEARBPZSA-N 2 1 324.469 0.916 20 30 DCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)NC[C@@]1(C)CCCS1 ZINC000261967206 526372439 /nfs/dbraw/zinc/37/24/39/526372439.db2.gz LTNWSXRTKINTSQ-UKRRQHHQSA-N 2 1 313.515 0.683 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000358772116 526432977 /nfs/dbraw/zinc/43/29/77/526432977.db2.gz DHWLKUNXDZEXAO-UHFFFAOYSA-N 2 1 310.442 0.658 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000364334946 526433885 /nfs/dbraw/zinc/43/38/85/526433885.db2.gz DHARWPLTODEBRV-HZPDHXFCSA-N 2 1 322.453 0.799 20 30 DCEDMP C=C(C)CNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264118583 526575780 /nfs/dbraw/zinc/57/57/80/526575780.db2.gz UBOKCMXIZSBCDT-INIZCTEOSA-N 2 1 302.422 0.886 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000358224866 526595878 /nfs/dbraw/zinc/59/58/78/526595878.db2.gz LPSBWKGABPMKHC-OAHLLOKOSA-N 2 1 308.470 0.779 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC#CC)C1CC1 ZINC001676222773 1175430348 /nfs/dbraw/zinc/43/03/48/1175430348.db2.gz ZBXHQVMSQZJOEU-DLBZAZTESA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCCO)CC2(C)C)CC1 ZINC000977660284 660412461 /nfs/dbraw/zinc/41/24/61/660412461.db2.gz YRDUFGCTBXICJT-INIZCTEOSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000978286192 660516943 /nfs/dbraw/zinc/51/69/43/660516943.db2.gz XBTMQAPRMNRHGP-NXOAAHMSSA-N 2 1 301.434 0.788 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000978286192 660516944 /nfs/dbraw/zinc/51/69/44/660516944.db2.gz XBTMQAPRMNRHGP-NXOAAHMSSA-N 2 1 301.434 0.788 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC000978286192 660516945 /nfs/dbraw/zinc/51/69/45/660516945.db2.gz XBTMQAPRMNRHGP-NXOAAHMSSA-N 2 1 301.434 0.788 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC000978286192 660516946 /nfs/dbraw/zinc/51/69/46/660516946.db2.gz XBTMQAPRMNRHGP-NXOAAHMSSA-N 2 1 301.434 0.788 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978395557 660531974 /nfs/dbraw/zinc/53/19/74/660531974.db2.gz FSRUVTLXYULEMW-PHZGNYQRSA-N 2 1 301.434 0.932 20 30 DCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634739 660576329 /nfs/dbraw/zinc/57/63/29/660576329.db2.gz HJMSOICYWNCLHO-JONQDZQNSA-N 2 1 307.438 0.576 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634739 660576331 /nfs/dbraw/zinc/57/63/31/660576331.db2.gz HJMSOICYWNCLHO-JONQDZQNSA-N 2 1 307.438 0.576 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634739 660576332 /nfs/dbraw/zinc/57/63/32/660576332.db2.gz HJMSOICYWNCLHO-JONQDZQNSA-N 2 1 307.438 0.576 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@H](C)O)C2)CC1 ZINC000980479408 660947506 /nfs/dbraw/zinc/94/75/06/660947506.db2.gz VTGXJFCAXBFETH-HOCLYGCPSA-N 2 1 307.438 0.245 20 30 DCEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000981689306 661195451 /nfs/dbraw/zinc/19/54/51/661195451.db2.gz RUXMOGNJCKDCQI-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981689306 661195452 /nfs/dbraw/zinc/19/54/52/661195452.db2.gz RUXMOGNJCKDCQI-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981689306 661195453 /nfs/dbraw/zinc/19/54/53/661195453.db2.gz RUXMOGNJCKDCQI-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981689306 661195455 /nfs/dbraw/zinc/19/54/55/661195455.db2.gz RUXMOGNJCKDCQI-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981689306 661195456 /nfs/dbraw/zinc/19/54/56/661195456.db2.gz RUXMOGNJCKDCQI-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000981818887 661222803 /nfs/dbraw/zinc/22/28/03/661222803.db2.gz HBFFPFMBRXTIPK-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000981818887 661222805 /nfs/dbraw/zinc/22/28/05/661222805.db2.gz HBFFPFMBRXTIPK-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000981818887 661222806 /nfs/dbraw/zinc/22/28/06/661222806.db2.gz HBFFPFMBRXTIPK-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCO)C2 ZINC000981818887 661222807 /nfs/dbraw/zinc/22/28/07/661222807.db2.gz HBFFPFMBRXTIPK-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCO)C2 ZINC000981818887 661222809 /nfs/dbraw/zinc/22/28/09/661222809.db2.gz HBFFPFMBRXTIPK-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153604 657508176 /nfs/dbraw/zinc/50/81/76/657508176.db2.gz LCMMKIFJSXZIIX-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153604 657508185 /nfs/dbraw/zinc/50/81/85/657508185.db2.gz LCMMKIFJSXZIIX-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153604 657508194 /nfs/dbraw/zinc/50/81/94/657508194.db2.gz LCMMKIFJSXZIIX-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153604 657508200 /nfs/dbraw/zinc/50/82/00/657508200.db2.gz LCMMKIFJSXZIIX-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971677398 657551855 /nfs/dbraw/zinc/55/18/55/657551855.db2.gz KFQGSIVYTNNWRD-CVEARBPZSA-N 2 1 319.453 0.922 20 30 DCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971677398 657551859 /nfs/dbraw/zinc/55/18/59/657551859.db2.gz KFQGSIVYTNNWRD-CVEARBPZSA-N 2 1 319.453 0.922 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001022221919 657567707 /nfs/dbraw/zinc/56/77/07/657567707.db2.gz RAHXGSUSOISPKE-JONQDZQNSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001022221919 657567708 /nfs/dbraw/zinc/56/77/08/657567708.db2.gz RAHXGSUSOISPKE-JONQDZQNSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891920835 657918046 /nfs/dbraw/zinc/91/80/46/657918046.db2.gz DTEJJFULIDTMDB-NWDGAFQWSA-N 2 1 320.359 0.720 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552280 657981280 /nfs/dbraw/zinc/98/12/80/657981280.db2.gz CMOAXAYIQWTJMN-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552280 657981282 /nfs/dbraw/zinc/98/12/82/657981282.db2.gz CMOAXAYIQWTJMN-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023552280 657981284 /nfs/dbraw/zinc/98/12/84/657981284.db2.gz CMOAXAYIQWTJMN-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972674788 658227378 /nfs/dbraw/zinc/22/73/78/658227378.db2.gz SRFKTWMIXPTWCL-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972674788 658227382 /nfs/dbraw/zinc/22/73/82/658227382.db2.gz SRFKTWMIXPTWCL-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972674788 658227390 /nfs/dbraw/zinc/22/73/90/658227390.db2.gz SRFKTWMIXPTWCL-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972674788 658227398 /nfs/dbraw/zinc/22/73/98/658227398.db2.gz SRFKTWMIXPTWCL-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295636 658531099 /nfs/dbraw/zinc/53/10/99/658531099.db2.gz WISJNQHWUKRIQN-RDJZCZTQSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972295636 658531102 /nfs/dbraw/zinc/53/11/02/658531102.db2.gz WISJNQHWUKRIQN-RDJZCZTQSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295636 658531107 /nfs/dbraw/zinc/53/11/07/658531107.db2.gz WISJNQHWUKRIQN-RDJZCZTQSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972295636 658531115 /nfs/dbraw/zinc/53/11/15/658531115.db2.gz WISJNQHWUKRIQN-RDJZCZTQSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001021078514 658754126 /nfs/dbraw/zinc/75/41/26/658754126.db2.gz JRJDYGNHOZTKJO-JHJVBQTASA-N 2 1 301.818 0.696 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001021078514 658754132 /nfs/dbraw/zinc/75/41/32/658754132.db2.gz JRJDYGNHOZTKJO-JHJVBQTASA-N 2 1 301.818 0.696 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001025630268 659496998 /nfs/dbraw/zinc/49/69/98/659496998.db2.gz RUFYTIXADGIGQW-NVXWUHKLSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982158547 661299475 /nfs/dbraw/zinc/29/94/75/661299475.db2.gz NIZOIHBIKUSFEF-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982158547 661299477 /nfs/dbraw/zinc/29/94/77/661299477.db2.gz NIZOIHBIKUSFEF-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158547 661299480 /nfs/dbraw/zinc/29/94/80/661299480.db2.gz NIZOIHBIKUSFEF-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158547 661299484 /nfs/dbraw/zinc/29/94/84/661299484.db2.gz NIZOIHBIKUSFEF-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699517 661766426 /nfs/dbraw/zinc/76/64/26/661766426.db2.gz ZLQJGGQKJTXYOG-JBCIKUTRSA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028699517 661766428 /nfs/dbraw/zinc/76/64/28/661766428.db2.gz ZLQJGGQKJTXYOG-JBCIKUTRSA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028699517 661766429 /nfs/dbraw/zinc/76/64/29/661766429.db2.gz ZLQJGGQKJTXYOG-JBCIKUTRSA-N 2 1 317.433 0.311 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000940811781 665856455 /nfs/dbraw/zinc/85/64/55/665856455.db2.gz TYYNFBURVDPUIQ-GJZGRUSLSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000985443372 662449323 /nfs/dbraw/zinc/44/93/23/662449323.db2.gz USBDMGUSJAQQGT-HZPDHXFCSA-N 2 1 307.438 0.958 20 30 DCEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262782825 662579725 /nfs/dbraw/zinc/57/97/25/662579725.db2.gz LNPKXCQCCQSNSL-ZDUSSCGKSA-N 2 1 304.442 0.939 20 30 DCEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262782825 662579726 /nfs/dbraw/zinc/57/97/26/662579726.db2.gz LNPKXCQCCQSNSL-ZDUSSCGKSA-N 2 1 304.442 0.939 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000901105578 663322882 /nfs/dbraw/zinc/32/28/82/663322882.db2.gz GJCXDWMELMLPOB-HNNXBMFYSA-N 2 1 322.453 0.259 20 30 DCEDMP C#CCN(C(=O)NC[C@@H]1C[N@H+](CC)CCO1)C1CC[NH+](C)CC1 ZINC000919128001 665198582 /nfs/dbraw/zinc/19/85/82/665198582.db2.gz UKCCVOAJMOZYRQ-MRXNPFEDSA-N 2 1 322.453 0.446 20 30 DCEDMP C#CCN(C(=O)NC[C@@H]1C[N@@H+](CC)CCO1)C1CC[NH+](C)CC1 ZINC000919128001 665198584 /nfs/dbraw/zinc/19/85/84/665198584.db2.gz UKCCVOAJMOZYRQ-MRXNPFEDSA-N 2 1 322.453 0.446 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567273 666020582 /nfs/dbraw/zinc/02/05/82/666020582.db2.gz PWTPFMYBQRNEIW-WBVHZDCISA-N 2 1 320.481 0.589 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000996803102 666919223 /nfs/dbraw/zinc/91/92/23/666919223.db2.gz DWGGVEMHAWMOBX-UHFFFAOYSA-N 2 1 300.406 0.976 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001034716002 667119678 /nfs/dbraw/zinc/11/96/78/667119678.db2.gz YTZAHXRHHHFJDF-BZUAXINKSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001034716002 667119680 /nfs/dbraw/zinc/11/96/80/667119680.db2.gz YTZAHXRHHHFJDF-BZUAXINKSA-N 2 1 307.438 0.746 20 30 DCEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035169529 667262204 /nfs/dbraw/zinc/26/22/04/667262204.db2.gz CRYFILBXMWYTFO-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035169529 667262206 /nfs/dbraw/zinc/26/22/06/667262206.db2.gz CRYFILBXMWYTFO-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035169529 667262208 /nfs/dbraw/zinc/26/22/08/667262208.db2.gz CRYFILBXMWYTFO-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035169529 667262209 /nfs/dbraw/zinc/26/22/09/667262209.db2.gz CRYFILBXMWYTFO-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579650 667383833 /nfs/dbraw/zinc/38/38/33/667383833.db2.gz LDIAQCHTALOTDY-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C#N)CCCOC1 ZINC000869237464 667640474 /nfs/dbraw/zinc/64/04/74/667640474.db2.gz STIUTDURSHYWQN-HOCLYGCPSA-N 2 1 310.442 0.695 20 30 DCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C#N)CCCOC1 ZINC000869237464 667640475 /nfs/dbraw/zinc/64/04/75/667640475.db2.gz STIUTDURSHYWQN-HOCLYGCPSA-N 2 1 310.442 0.695 20 30 DCEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC000949051307 670247709 /nfs/dbraw/zinc/24/77/09/670247709.db2.gz FVPJAWVTJVRDPM-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000854003270 670514261 /nfs/dbraw/zinc/51/42/61/670514261.db2.gz GYTNLROSUTTXEZ-ARFHVFGLSA-N 2 1 324.469 0.738 20 30 DCEDMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000854003270 670514264 /nfs/dbraw/zinc/51/42/64/670514264.db2.gz GYTNLROSUTTXEZ-ARFHVFGLSA-N 2 1 324.469 0.738 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000852827682 671168761 /nfs/dbraw/zinc/16/87/61/671168761.db2.gz NIMCUIPPTFCLDA-FXAINCCUSA-N 2 1 323.194 0.677 20 30 DCEDMP C#CC1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000830306016 671622545 /nfs/dbraw/zinc/62/25/45/671622545.db2.gz ZWZYJCDICKITDH-QGZVFWFLSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccns2)C1 ZINC001020250900 693745873 /nfs/dbraw/zinc/74/58/73/693745873.db2.gz WEIZZNBBIJOVNV-YDHLFZDLSA-N 2 1 318.446 0.978 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccns2)C1 ZINC001020250900 693745874 /nfs/dbraw/zinc/74/58/74/693745874.db2.gz WEIZZNBBIJOVNV-YDHLFZDLSA-N 2 1 318.446 0.978 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC ZINC001037940960 693971667 /nfs/dbraw/zinc/97/16/67/693971667.db2.gz NWOVNBUUVZKLEB-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214826 687445919 /nfs/dbraw/zinc/44/59/19/687445919.db2.gz NNEHAMQRNNMZBR-CABCVRRESA-N 2 1 305.422 0.047 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961613224 688674636 /nfs/dbraw/zinc/67/46/36/688674636.db2.gz ZWOLAGHWVGLQCP-QMCVQRASSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961613224 688674638 /nfs/dbraw/zinc/67/46/38/688674638.db2.gz ZWOLAGHWVGLQCP-QMCVQRASSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001039115380 694306344 /nfs/dbraw/zinc/30/63/44/694306344.db2.gz JZEQRSBCLYWHNW-IAGOWNOFSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001039115380 694306350 /nfs/dbraw/zinc/30/63/50/694306350.db2.gz JZEQRSBCLYWHNW-IAGOWNOFSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039115380 694306356 /nfs/dbraw/zinc/30/63/56/694306356.db2.gz JZEQRSBCLYWHNW-IAGOWNOFSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039115380 694306360 /nfs/dbraw/zinc/30/63/60/694306360.db2.gz JZEQRSBCLYWHNW-IAGOWNOFSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016984687 692820313 /nfs/dbraw/zinc/82/03/13/692820313.db2.gz GFUPDZCWJNXSKT-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016984687 692820319 /nfs/dbraw/zinc/82/03/19/692820319.db2.gz GFUPDZCWJNXSKT-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016987529 692821981 /nfs/dbraw/zinc/82/19/81/692821981.db2.gz VFRUTKVJWFNTGS-GJZGRUSLSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016987529 692821985 /nfs/dbraw/zinc/82/19/85/692821985.db2.gz VFRUTKVJWFNTGS-GJZGRUSLSA-N 2 1 305.422 0.311 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072914167 694683445 /nfs/dbraw/zinc/68/34/45/694683445.db2.gz YCUKPCCFRFJPRX-HNNXBMFYSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914167 694683446 /nfs/dbraw/zinc/68/34/46/694683446.db2.gz YCUKPCCFRFJPRX-HNNXBMFYSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914167 694683448 /nfs/dbraw/zinc/68/34/48/694683448.db2.gz YCUKPCCFRFJPRX-HNNXBMFYSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072914110 694683599 /nfs/dbraw/zinc/68/35/99/694683599.db2.gz VBLKVXDTVLOJQW-INIZCTEOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914110 694683601 /nfs/dbraw/zinc/68/36/01/694683601.db2.gz VBLKVXDTVLOJQW-INIZCTEOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914110 694683603 /nfs/dbraw/zinc/68/36/03/694683603.db2.gz VBLKVXDTVLOJQW-INIZCTEOSA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073443224 694727575 /nfs/dbraw/zinc/72/75/75/694727575.db2.gz GLERGDHOWPHBCP-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073443224 694727578 /nfs/dbraw/zinc/72/75/78/694727578.db2.gz GLERGDHOWPHBCP-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443224 694727580 /nfs/dbraw/zinc/72/75/80/694727580.db2.gz GLERGDHOWPHBCP-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443224 694727582 /nfs/dbraw/zinc/72/75/82/694727582.db2.gz GLERGDHOWPHBCP-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001074757331 694920961 /nfs/dbraw/zinc/92/09/61/694920961.db2.gz XYKDYCVUYMUSRR-MLURZJSDSA-N 2 1 305.422 0.615 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001570439837 1162518874 /nfs/dbraw/zinc/51/88/74/1162518874.db2.gz GAGFJNNZMAZMPG-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001570439837 1162518878 /nfs/dbraw/zinc/51/88/78/1162518878.db2.gz GAGFJNNZMAZMPG-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCO ZINC001570532670 1162537543 /nfs/dbraw/zinc/53/75/43/1162537543.db2.gz LCFBIEWWWCDOIU-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCO ZINC001570532670 1162537545 /nfs/dbraw/zinc/53/75/45/1162537545.db2.gz LCFBIEWWWCDOIU-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCO ZINC001570532670 1162537551 /nfs/dbraw/zinc/53/75/51/1162537551.db2.gz LCFBIEWWWCDOIU-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCO ZINC001570532670 1162537556 /nfs/dbraw/zinc/53/75/56/1162537556.db2.gz LCFBIEWWWCDOIU-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001570545798 1162541186 /nfs/dbraw/zinc/54/11/86/1162541186.db2.gz XZUFVEGVMITXDB-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001570545798 1162541194 /nfs/dbraw/zinc/54/11/94/1162541194.db2.gz XZUFVEGVMITXDB-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001570768118 1162617935 /nfs/dbraw/zinc/61/79/35/1162617935.db2.gz UOZSBBQPMRXXLE-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001570768118 1162617938 /nfs/dbraw/zinc/61/79/38/1162617938.db2.gz UOZSBBQPMRXXLE-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001570907306 1162646887 /nfs/dbraw/zinc/64/68/87/1162646887.db2.gz DTKNDKLWUDARFZ-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001570907306 1162646893 /nfs/dbraw/zinc/64/68/93/1162646893.db2.gz DTKNDKLWUDARFZ-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001570907306 1162646899 /nfs/dbraw/zinc/64/68/99/1162646899.db2.gz DTKNDKLWUDARFZ-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001570907306 1162646901 /nfs/dbraw/zinc/64/69/01/1162646901.db2.gz DTKNDKLWUDARFZ-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC#CCOC)C1CC1 ZINC001670480023 1157448753 /nfs/dbraw/zinc/44/87/53/1157448753.db2.gz LSQWJNIKXBTTIZ-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001571659868 1162880446 /nfs/dbraw/zinc/88/04/46/1162880446.db2.gz DFCQCRRWZKPLEX-UHFFFAOYSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001752434514 1157976368 /nfs/dbraw/zinc/97/63/68/1157976368.db2.gz GHJUWMKRTUPAJW-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001755443793 1158141560 /nfs/dbraw/zinc/14/15/60/1158141560.db2.gz DEFWXJLDIKZXSI-LSDHHAIUSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001671384332 1158272165 /nfs/dbraw/zinc/27/21/65/1158272165.db2.gz KWEDARQUPFBHSW-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001248690124 1159136922 /nfs/dbraw/zinc/13/69/22/1159136922.db2.gz IJXPDVLPBJTWAI-UONOGXRCSA-N 2 1 310.467 0.430 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001566532840 1159827302 /nfs/dbraw/zinc/82/73/02/1159827302.db2.gz IXMXPIZAHAAJMR-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CCN1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001566649024 1160111054 /nfs/dbraw/zinc/11/10/54/1160111054.db2.gz DVSUOAQOZQFVON-DLBZAZTESA-N 2 1 320.481 0.474 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001566649024 1160111055 /nfs/dbraw/zinc/11/10/55/1160111055.db2.gz DVSUOAQOZQFVON-DLBZAZTESA-N 2 1 320.481 0.474 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001566649024 1160111056 /nfs/dbraw/zinc/11/10/56/1160111056.db2.gz DVSUOAQOZQFVON-DLBZAZTESA-N 2 1 320.481 0.474 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001568227706 1160608689 /nfs/dbraw/zinc/60/86/89/1160608689.db2.gz GWFAOCBCNBFZIA-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001568227706 1160608692 /nfs/dbraw/zinc/60/86/92/1160608692.db2.gz GWFAOCBCNBFZIA-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001568766628 1160766379 /nfs/dbraw/zinc/76/63/79/1160766379.db2.gz DPWONVOYVACYCA-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001569013109 1160917895 /nfs/dbraw/zinc/91/78/95/1160917895.db2.gz BXRXKIPUXIAKKR-KFWWJZLASA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001569662544 1161188788 /nfs/dbraw/zinc/18/87/88/1161188788.db2.gz VUAQHVWFNNDVAD-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569748778 1161221366 /nfs/dbraw/zinc/22/13/66/1161221366.db2.gz IUTZNOFJSONBEF-DZGCQCFKSA-N 2 1 301.406 0.405 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001569882772 1161293794 /nfs/dbraw/zinc/29/37/94/1161293794.db2.gz XLIUVNONBYKIKG-IYBDPMFKSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001569882772 1161293800 /nfs/dbraw/zinc/29/38/00/1161293800.db2.gz XLIUVNONBYKIKG-IYBDPMFKSA-N 2 1 300.406 0.995 20 30 DCEDMP CC#CCN1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001569899907 1161306716 /nfs/dbraw/zinc/30/67/16/1161306716.db2.gz DMJTZJNOKKWARD-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001569899907 1161306718 /nfs/dbraw/zinc/30/67/18/1161306718.db2.gz DMJTZJNOKKWARD-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001569899907 1161306721 /nfs/dbraw/zinc/30/67/21/1161306721.db2.gz DMJTZJNOKKWARD-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001569899907 1161306723 /nfs/dbraw/zinc/30/67/23/1161306723.db2.gz DMJTZJNOKKWARD-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001569899907 1161306725 /nfs/dbraw/zinc/30/67/25/1161306725.db2.gz DMJTZJNOKKWARD-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC#CC)C1 ZINC001569983649 1161369491 /nfs/dbraw/zinc/36/94/91/1161369491.db2.gz GPKOTNDNPRFZPQ-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC#CC)C1 ZINC001569983649 1161369496 /nfs/dbraw/zinc/36/94/96/1161369496.db2.gz GPKOTNDNPRFZPQ-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C=C[C@@H](COC)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001574872136 1163781082 /nfs/dbraw/zinc/78/10/82/1163781082.db2.gz HFHIDIFGFGUJSZ-CWRNSKLLSA-N 2 1 322.453 0.798 20 30 DCEDMP C[N@H+](CCOCC[NH3+])[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC001578477137 1165030100 /nfs/dbraw/zinc/03/01/00/1165030100.db2.gz HXCQLDUEQXGOJX-OAHLLOKOSA-N 2 1 302.378 0.571 20 30 DCEDMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC001578477137 1165030105 /nfs/dbraw/zinc/03/01/05/1165030105.db2.gz HXCQLDUEQXGOJX-OAHLLOKOSA-N 2 1 302.378 0.571 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001662361438 1174202877 /nfs/dbraw/zinc/20/28/77/1174202877.db2.gz DIMFTFAZWTXGTR-CQSZACIVSA-N 2 1 306.410 0.716 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663498420 1174310117 /nfs/dbraw/zinc/31/01/17/1174310117.db2.gz SFZYNQSFAUHZMY-DLBZAZTESA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001664850057 1174465644 /nfs/dbraw/zinc/46/56/44/1174465644.db2.gz WJCNBQILTIBYII-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001664850057 1174465650 /nfs/dbraw/zinc/46/56/50/1174465650.db2.gz WJCNBQILTIBYII-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001664850057 1174465653 /nfs/dbraw/zinc/46/56/53/1174465653.db2.gz WJCNBQILTIBYII-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccsc1 ZINC001667837472 1174721240 /nfs/dbraw/zinc/72/12/40/1174721240.db2.gz RTCFNRWUQOQKOZ-CABCVRRESA-N 2 1 321.446 0.412 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccsc1 ZINC001667837472 1174721247 /nfs/dbraw/zinc/72/12/47/1174721247.db2.gz RTCFNRWUQOQKOZ-CABCVRRESA-N 2 1 321.446 0.412 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CCCC1 ZINC001671558591 1175018733 /nfs/dbraw/zinc/01/87/33/1175018733.db2.gz HQVPBTBEUJEEDH-QGZVFWFLSA-N 2 1 321.465 0.997 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001672538513 1175123786 /nfs/dbraw/zinc/12/37/86/1175123786.db2.gz RRVQSIBBOMAUPI-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001673589287 1175216396 /nfs/dbraw/zinc/21/63/96/1175216396.db2.gz YMAZCLFTPVCGJW-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001673589287 1175216400 /nfs/dbraw/zinc/21/64/00/1175216400.db2.gz YMAZCLFTPVCGJW-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001673675613 1175222358 /nfs/dbraw/zinc/22/23/58/1175222358.db2.gz DBVMLXOMDQISMV-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001676183101 1175426728 /nfs/dbraw/zinc/42/67/28/1175426728.db2.gz GJEXTBSKQZAACN-HZPDHXFCSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC#CC)C1CC1 ZINC001676222773 1175430344 /nfs/dbraw/zinc/43/03/44/1175430344.db2.gz ZBXHQVMSQZJOEU-DLBZAZTESA-N 2 1 301.434 0.934 20 30 DCEDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC#CC[NH+](C)C ZINC001685772611 1176041626 /nfs/dbraw/zinc/04/16/26/1176041626.db2.gz JYXIINWCQPGMCW-UHFFFAOYSA-N 2 1 324.469 0.551 20 30 DCEDMP Cc1cc[nH+]c(N2CCN(C(=O)NCC#CC[NH+](C)C)CC2)c1 ZINC001685772649 1176042225 /nfs/dbraw/zinc/04/22/25/1176042225.db2.gz LJJHLAGKAYMFBG-UHFFFAOYSA-N 2 1 315.421 0.787 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001688916472 1176655426 /nfs/dbraw/zinc/65/54/26/1176655426.db2.gz GCZOCAZQTGPJSJ-GASCZTMLSA-N 2 1 304.394 0.326 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001688950975 1176664449 /nfs/dbraw/zinc/66/44/49/1176664449.db2.gz DMCVRXRBSHWUSY-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001688950976 1176664601 /nfs/dbraw/zinc/66/46/01/1176664601.db2.gz DMCVRXRBSHWUSY-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001689083576 1176693632 /nfs/dbraw/zinc/69/36/32/1176693632.db2.gz MRGDGXWCDPICTJ-IKGGRYGDSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001689229968 1176753667 /nfs/dbraw/zinc/75/36/67/1176753667.db2.gz IZTKOHZTZCEPLA-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CCN1CCC[C@@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001690391712 1177233844 /nfs/dbraw/zinc/23/38/44/1177233844.db2.gz HWOOUEZSPHUZCB-HNNXBMFYSA-N 2 1 318.421 0.739 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001690785673 1177324630 /nfs/dbraw/zinc/32/46/30/1177324630.db2.gz XBCMHHNJTQDRPJ-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691924905 1177385168 /nfs/dbraw/zinc/38/51/68/1177385168.db2.gz MVVHDINLPCSNJY-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691924905 1177385175 /nfs/dbraw/zinc/38/51/75/1177385175.db2.gz MVVHDINLPCSNJY-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691924905 1177385184 /nfs/dbraw/zinc/38/51/84/1177385184.db2.gz MVVHDINLPCSNJY-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001692241242 1177456370 /nfs/dbraw/zinc/45/63/70/1177456370.db2.gz HELMWTISWFXHHU-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001692241242 1177456373 /nfs/dbraw/zinc/45/63/73/1177456373.db2.gz HELMWTISWFXHHU-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001692241242 1177456376 /nfs/dbraw/zinc/45/63/76/1177456376.db2.gz HELMWTISWFXHHU-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001698579937 1177569002 /nfs/dbraw/zinc/56/90/02/1177569002.db2.gz ZFCKDLHOIZBJSL-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001698636441 1177594746 /nfs/dbraw/zinc/59/47/46/1177594746.db2.gz NAMGUWVNTYFUCV-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001698636441 1177594755 /nfs/dbraw/zinc/59/47/55/1177594755.db2.gz NAMGUWVNTYFUCV-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[N@H+](C)CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001699003423 1177762171 /nfs/dbraw/zinc/76/21/71/1177762171.db2.gz WDBNMCCCMAFCIN-UHFFFAOYSA-N 2 1 305.426 0.472 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001699011495 1177768968 /nfs/dbraw/zinc/76/89/68/1177768968.db2.gz AJVGTCQMEJOWMO-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001699901114 1178353609 /nfs/dbraw/zinc/35/36/09/1178353609.db2.gz LKGXEMNMKUTWHJ-RDJZCZTQSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001700006989 1178427379 /nfs/dbraw/zinc/42/73/79/1178427379.db2.gz IAKHQWLBHWYHSY-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001700006989 1178427382 /nfs/dbraw/zinc/42/73/82/1178427382.db2.gz IAKHQWLBHWYHSY-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001700006989 1178427384 /nfs/dbraw/zinc/42/73/84/1178427384.db2.gz IAKHQWLBHWYHSY-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001700203465 1178529687 /nfs/dbraw/zinc/52/96/87/1178529687.db2.gz QYKUPDOXHJNPDO-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001700203465 1178529693 /nfs/dbraw/zinc/52/96/93/1178529693.db2.gz QYKUPDOXHJNPDO-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001700203465 1178529699 /nfs/dbraw/zinc/52/96/99/1178529699.db2.gz QYKUPDOXHJNPDO-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H](C)O)CC1 ZINC001700280855 1178565984 /nfs/dbraw/zinc/56/59/84/1178565984.db2.gz AKBATNYEPVNWTL-GJZGRUSLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H](C)O)CC1 ZINC001700280855 1178565987 /nfs/dbraw/zinc/56/59/87/1178565987.db2.gz AKBATNYEPVNWTL-GJZGRUSLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(=C)C)CC1 ZINC001700301393 1178572445 /nfs/dbraw/zinc/57/24/45/1178572445.db2.gz MSKUNCFTUFZTOJ-INIZCTEOSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(=C)C)CC1 ZINC001700301393 1178572447 /nfs/dbraw/zinc/57/24/47/1178572447.db2.gz MSKUNCFTUFZTOJ-INIZCTEOSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001700300739 1178572634 /nfs/dbraw/zinc/57/26/34/1178572634.db2.gz COXQDNVCFZTXNC-HOTGVXAUSA-N 2 1 319.449 0.580 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001700318809 1178579673 /nfs/dbraw/zinc/57/96/73/1178579673.db2.gz WOKFMOBQSAOCPI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001700318809 1178579675 /nfs/dbraw/zinc/57/96/75/1178579675.db2.gz WOKFMOBQSAOCPI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001700338764 1178587580 /nfs/dbraw/zinc/58/75/80/1178587580.db2.gz RMXYYHNHCVDCLS-HNNXBMFYSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001700356469 1178595558 /nfs/dbraw/zinc/59/55/58/1178595558.db2.gz PIXXDZJXZWHWDS-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001700356469 1178595560 /nfs/dbraw/zinc/59/55/60/1178595560.db2.gz PIXXDZJXZWHWDS-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001700356469 1178595562 /nfs/dbraw/zinc/59/55/62/1178595562.db2.gz PIXXDZJXZWHWDS-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001700610868 1178680190 /nfs/dbraw/zinc/68/01/90/1178680190.db2.gz OFHUOHVUUSIHJR-UKRRQHHQSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001700638012 1178686913 /nfs/dbraw/zinc/68/69/13/1178686913.db2.gz HODXUNPOZLCPCY-RBSFLKMASA-N 2 1 300.406 0.872 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001700666430 1178698178 /nfs/dbraw/zinc/69/81/78/1178698178.db2.gz UNSZUKUTKGDYSH-LSDHHAIUSA-N 2 1 322.453 0.095 20 30 DCEDMP C=CC[NH2+][C@H](CO)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001700799685 1178751798 /nfs/dbraw/zinc/75/17/98/1178751798.db2.gz JKFHWMVASZDDHY-LBPRGKRZSA-N 2 1 308.382 0.137 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC001700925526 1178805618 /nfs/dbraw/zinc/80/56/18/1178805618.db2.gz CDMUHQJBNORROD-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC001700925526 1178805625 /nfs/dbraw/zinc/80/56/25/1178805625.db2.gz CDMUHQJBNORROD-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001700966450 1178847109 /nfs/dbraw/zinc/84/71/09/1178847109.db2.gz WHQVEPNCLOWBBC-HOTGVXAUSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001700966450 1178847117 /nfs/dbraw/zinc/84/71/17/1178847117.db2.gz WHQVEPNCLOWBBC-HOTGVXAUSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001700966450 1178847123 /nfs/dbraw/zinc/84/71/23/1178847123.db2.gz WHQVEPNCLOWBBC-HOTGVXAUSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001712991507 1180613852 /nfs/dbraw/zinc/61/38/52/1180613852.db2.gz SPDPSJNKDYYWHH-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713517187 1180887969 /nfs/dbraw/zinc/88/79/69/1180887969.db2.gz FDFWGQWQFMOUPH-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713517187 1180887975 /nfs/dbraw/zinc/88/79/75/1180887975.db2.gz FDFWGQWQFMOUPH-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713517187 1180887983 /nfs/dbraw/zinc/88/79/83/1180887983.db2.gz FDFWGQWQFMOUPH-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001713745079 1181041112 /nfs/dbraw/zinc/04/11/12/1181041112.db2.gz SGIYATKSBFUKLC-UHFFFAOYSA-N 2 1 320.481 0.572 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)C[N@H+](C)CCC)CC1 ZINC001713801596 1181077690 /nfs/dbraw/zinc/07/76/90/1181077690.db2.gz ACNCVFHFBOHIFA-UHFFFAOYSA-N 2 1 308.470 0.475 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001714038886 1181220364 /nfs/dbraw/zinc/22/03/64/1181220364.db2.gz GWXIYQDOKXNNSN-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714038886 1181220366 /nfs/dbraw/zinc/22/03/66/1181220366.db2.gz GWXIYQDOKXNNSN-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001714038886 1181220371 /nfs/dbraw/zinc/22/03/71/1181220371.db2.gz GWXIYQDOKXNNSN-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001714038886 1181220374 /nfs/dbraw/zinc/22/03/74/1181220374.db2.gz GWXIYQDOKXNNSN-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714381040 1181343008 /nfs/dbraw/zinc/34/30/08/1181343008.db2.gz XEGILIXAXDOJAH-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001714617077 1181440710 /nfs/dbraw/zinc/44/07/10/1181440710.db2.gz BNWLHDPMKRYXRB-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001714617077 1181440714 /nfs/dbraw/zinc/44/07/14/1181440714.db2.gz BNWLHDPMKRYXRB-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001714887531 1181587509 /nfs/dbraw/zinc/58/75/09/1181587509.db2.gz TUDRAUIBLUVCSY-IAGOWNOFSA-N 2 1 322.497 0.979 20 30 DCEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001715332293 1181776189 /nfs/dbraw/zinc/77/61/89/1181776189.db2.gz QGTJDHIMOVIBRP-DOMZBBRYSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001715332293 1181776200 /nfs/dbraw/zinc/77/62/00/1181776200.db2.gz QGTJDHIMOVIBRP-DOMZBBRYSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001715332295 1181776745 /nfs/dbraw/zinc/77/67/45/1181776745.db2.gz QGTJDHIMOVIBRP-IUODEOHRSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001715332295 1181776749 /nfs/dbraw/zinc/77/67/49/1181776749.db2.gz QGTJDHIMOVIBRP-IUODEOHRSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001715935193 1182109158 /nfs/dbraw/zinc/10/91/58/1182109158.db2.gz TUJXSSYWVZJBHG-PMPSAXMXSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001715935193 1182109162 /nfs/dbraw/zinc/10/91/62/1182109162.db2.gz TUJXSSYWVZJBHG-PMPSAXMXSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715959652 1182119613 /nfs/dbraw/zinc/11/96/13/1182119613.db2.gz OHHNJWWCWOUPKW-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001715959652 1182119614 /nfs/dbraw/zinc/11/96/14/1182119614.db2.gz OHHNJWWCWOUPKW-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001715959652 1182119616 /nfs/dbraw/zinc/11/96/16/1182119616.db2.gz OHHNJWWCWOUPKW-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715959652 1182119617 /nfs/dbraw/zinc/11/96/17/1182119617.db2.gz OHHNJWWCWOUPKW-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001715959653 1182120112 /nfs/dbraw/zinc/12/01/12/1182120112.db2.gz OHHNJWWCWOUPKW-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001715959653 1182120126 /nfs/dbraw/zinc/12/01/26/1182120126.db2.gz OHHNJWWCWOUPKW-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001715959653 1182120132 /nfs/dbraw/zinc/12/01/32/1182120132.db2.gz OHHNJWWCWOUPKW-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715959653 1182120152 /nfs/dbraw/zinc/12/01/52/1182120152.db2.gz OHHNJWWCWOUPKW-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001716004179 1182141119 /nfs/dbraw/zinc/14/11/19/1182141119.db2.gz RXGNITMLTJYNCM-ZIAGYGMSSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001716004179 1182141124 /nfs/dbraw/zinc/14/11/24/1182141124.db2.gz RXGNITMLTJYNCM-ZIAGYGMSSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716004179 1182141126 /nfs/dbraw/zinc/14/11/26/1182141126.db2.gz RXGNITMLTJYNCM-ZIAGYGMSSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001716004179 1182141130 /nfs/dbraw/zinc/14/11/30/1182141130.db2.gz RXGNITMLTJYNCM-ZIAGYGMSSA-N 2 1 310.442 0.019 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001716010712 1182143324 /nfs/dbraw/zinc/14/33/24/1182143324.db2.gz VAMMWLZLTXLZOK-INIZCTEOSA-N 2 1 317.433 0.863 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001716010712 1182143329 /nfs/dbraw/zinc/14/33/29/1182143329.db2.gz VAMMWLZLTXLZOK-INIZCTEOSA-N 2 1 317.433 0.863 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001716255100 1182280242 /nfs/dbraw/zinc/28/02/42/1182280242.db2.gz HQWYYQPMMCYHBB-GASCZTMLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001716500853 1182415634 /nfs/dbraw/zinc/41/56/34/1182415634.db2.gz LDHSZOQZOFJTFV-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001716500853 1182415637 /nfs/dbraw/zinc/41/56/37/1182415637.db2.gz LDHSZOQZOFJTFV-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716500853 1182415640 /nfs/dbraw/zinc/41/56/40/1182415640.db2.gz LDHSZOQZOFJTFV-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001716500853 1182415642 /nfs/dbraw/zinc/41/56/42/1182415642.db2.gz LDHSZOQZOFJTFV-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001716918521 1182573312 /nfs/dbraw/zinc/57/33/12/1182573312.db2.gz HTJQIWOOCGUSPI-AEFFLSMTSA-N 2 1 321.465 0.847 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716930714 1182585952 /nfs/dbraw/zinc/58/59/52/1182585952.db2.gz UZMVWGJHQKUIAR-YJBOKZPZSA-N 2 1 321.465 0.990 20 30 DCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001717253486 1182750383 /nfs/dbraw/zinc/75/03/83/1182750383.db2.gz AXABLRMSPBFZMV-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCOCC1 ZINC001717265018 1182757222 /nfs/dbraw/zinc/75/72/22/1182757222.db2.gz WNZRUIBUULLSQO-ZIAGYGMSSA-N 2 1 316.405 0.792 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001724343361 1184410399 /nfs/dbraw/zinc/41/03/99/1184410399.db2.gz QSCMLVPVJBECTA-SFHVURJKSA-N 2 1 321.465 0.950 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCOCC1 ZINC001724353416 1184412282 /nfs/dbraw/zinc/41/22/82/1184412282.db2.gz BKAYVWCXNPNULW-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001724812738 1184569007 /nfs/dbraw/zinc/56/90/07/1184569007.db2.gz KAHJIVBHJYDQHM-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001724908227 1184615172 /nfs/dbraw/zinc/61/51/72/1184615172.db2.gz FRRDWADTCWYGMG-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001724998329 1184651308 /nfs/dbraw/zinc/65/13/08/1184651308.db2.gz APIOJRIVGRFJSZ-GOEBONIOSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001724998329 1184651316 /nfs/dbraw/zinc/65/13/16/1184651316.db2.gz APIOJRIVGRFJSZ-GOEBONIOSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001725147641 1184695480 /nfs/dbraw/zinc/69/54/80/1184695480.db2.gz NBXHPOZLLCWLIM-OAHLLOKOSA-N 2 1 309.454 0.662 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001731500752 1185362174 /nfs/dbraw/zinc/36/21/74/1185362174.db2.gz WVCVVIYQAZAZMC-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001731500752 1185362178 /nfs/dbraw/zinc/36/21/78/1185362178.db2.gz WVCVVIYQAZAZMC-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001731500752 1185362181 /nfs/dbraw/zinc/36/21/81/1185362181.db2.gz WVCVVIYQAZAZMC-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001731542838 1185381650 /nfs/dbraw/zinc/38/16/50/1185381650.db2.gz QRMLEVUTIQEHPM-HNNXBMFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001731542838 1185381659 /nfs/dbraw/zinc/38/16/59/1185381659.db2.gz QRMLEVUTIQEHPM-HNNXBMFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001731542838 1185381662 /nfs/dbraw/zinc/38/16/62/1185381662.db2.gz QRMLEVUTIQEHPM-HNNXBMFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001731542838 1185381664 /nfs/dbraw/zinc/38/16/64/1185381664.db2.gz QRMLEVUTIQEHPM-HNNXBMFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001731670698 1185437795 /nfs/dbraw/zinc/43/77/95/1185437795.db2.gz FCAFUNAMVFVTPE-LSDHHAIUSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@@H](CC)OC)CC1 ZINC001731796121 1185492373 /nfs/dbraw/zinc/49/23/73/1185492373.db2.gz RSNXWBYDMWUQJU-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001731952327 1185602539 /nfs/dbraw/zinc/60/25/39/1185602539.db2.gz MWPOPRPLSJTREN-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CCOC ZINC001732374463 1185784971 /nfs/dbraw/zinc/78/49/71/1185784971.db2.gz WMZDSKXODVWAMR-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001732493613 1185834559 /nfs/dbraw/zinc/83/45/59/1185834559.db2.gz DPWPHXGXLJOTPL-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001732598689 1185867134 /nfs/dbraw/zinc/86/71/34/1185867134.db2.gz RUBUXXRVLHZZBN-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001732598689 1185867137 /nfs/dbraw/zinc/86/71/37/1185867137.db2.gz RUBUXXRVLHZZBN-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001733625861 1186377403 /nfs/dbraw/zinc/37/74/03/1186377403.db2.gz AASLBERIASZIMJ-INIZCTEOSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCOCC1 ZINC001733832376 1186466965 /nfs/dbraw/zinc/46/69/65/1186466965.db2.gz STABITRSXYQDSK-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001733879474 1186483223 /nfs/dbraw/zinc/48/32/23/1186483223.db2.gz KKUVFBZMOMYBEA-UHFFFAOYSA-N 2 1 308.470 0.733 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001733879474 1186483224 /nfs/dbraw/zinc/48/32/24/1186483224.db2.gz KKUVFBZMOMYBEA-UHFFFAOYSA-N 2 1 308.470 0.733 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001733960351 1186509163 /nfs/dbraw/zinc/50/91/63/1186509163.db2.gz RGSYEDBTYDLWCD-OFLPRAFFSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001734127435 1186555794 /nfs/dbraw/zinc/55/57/94/1186555794.db2.gz USNLVHQJJWRHOC-INIZCTEOSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001734356001 1186621561 /nfs/dbraw/zinc/62/15/61/1186621561.db2.gz IMMUEMPICMOKTI-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001752719555 1188434921 /nfs/dbraw/zinc/43/49/21/1188434921.db2.gz GDMQGNFZTGPQPU-FQUUOJAGSA-N 2 1 308.426 0.008 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001752921484 1188461991 /nfs/dbraw/zinc/46/19/91/1188461991.db2.gz SKYWHRNETBIVAB-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001753104735 1188500798 /nfs/dbraw/zinc/50/07/98/1188500798.db2.gz VZQXXTMGSUVFQH-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001753139983 1188513374 /nfs/dbraw/zinc/51/33/74/1188513374.db2.gz JBCAPERYQWGCLA-OAHLLOKOSA-N 2 1 306.410 0.832 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001753139983 1188513378 /nfs/dbraw/zinc/51/33/78/1188513378.db2.gz JBCAPERYQWGCLA-OAHLLOKOSA-N 2 1 306.410 0.832 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001753451224 1188600668 /nfs/dbraw/zinc/60/06/68/1188600668.db2.gz ZLMQJCWPYSUIKG-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001753451224 1188600670 /nfs/dbraw/zinc/60/06/70/1188600670.db2.gz ZLMQJCWPYSUIKG-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001753451224 1188600673 /nfs/dbraw/zinc/60/06/73/1188600673.db2.gz ZLMQJCWPYSUIKG-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001753451224 1188600675 /nfs/dbraw/zinc/60/06/75/1188600675.db2.gz ZLMQJCWPYSUIKG-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001753596432 1188621695 /nfs/dbraw/zinc/62/16/95/1188621695.db2.gz GDCRVHIFQZJCLD-KRWDZBQOSA-N 2 1 315.417 0.746 20 30 DCEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001753596432 1188621698 /nfs/dbraw/zinc/62/16/98/1188621698.db2.gz GDCRVHIFQZJCLD-KRWDZBQOSA-N 2 1 315.417 0.746 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001753729233 1188648336 /nfs/dbraw/zinc/64/83/36/1188648336.db2.gz IVFYFRFXNUJCMR-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001753767897 1188653256 /nfs/dbraw/zinc/65/32/56/1188653256.db2.gz PVLBENFRPSTBLL-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001754568509 1188881310 /nfs/dbraw/zinc/88/13/10/1188881310.db2.gz FYXVXJUKMRQETB-GOSISDBHSA-N 2 1 319.449 0.656 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754683616 1188906114 /nfs/dbraw/zinc/90/61/14/1188906114.db2.gz LLMIWQLHCOBSIE-MRXNPFEDSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001754759453 1188926409 /nfs/dbraw/zinc/92/64/09/1188926409.db2.gz MCHGKKHPVSBGOR-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001754857532 1188951799 /nfs/dbraw/zinc/95/17/99/1188951799.db2.gz JQHDJIIPDHUFKN-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001755448293 1189115098 /nfs/dbraw/zinc/11/50/98/1189115098.db2.gz QOBYPGZODKNCGQ-ZFWWWQNUSA-N 2 1 304.394 0.420 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001755754187 1189201407 /nfs/dbraw/zinc/20/14/07/1189201407.db2.gz SRSAYCKRLAVYFG-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089623238 751490667 /nfs/dbraw/zinc/49/06/67/751490667.db2.gz AKEBVTFDPKKGLA-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089623238 751490672 /nfs/dbraw/zinc/49/06/72/751490672.db2.gz AKEBVTFDPKKGLA-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089623238 751490678 /nfs/dbraw/zinc/49/06/78/751490678.db2.gz AKEBVTFDPKKGLA-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089623238 751490683 /nfs/dbraw/zinc/49/06/83/751490683.db2.gz AKEBVTFDPKKGLA-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001098540676 747112463 /nfs/dbraw/zinc/11/24/63/747112463.db2.gz UOFZSOQRRYUZRQ-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540676 747112466 /nfs/dbraw/zinc/11/24/66/747112466.db2.gz UOFZSOQRRYUZRQ-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540676 747112471 /nfs/dbraw/zinc/11/24/71/747112471.db2.gz UOFZSOQRRYUZRQ-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347384 747245986 /nfs/dbraw/zinc/24/59/86/747245986.db2.gz XPKWCORYZHQDPA-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347384 747245987 /nfs/dbraw/zinc/24/59/87/747245987.db2.gz XPKWCORYZHQDPA-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248266 747421812 /nfs/dbraw/zinc/42/18/12/747421812.db2.gz YLTGLFSINPBIIV-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248266 747421818 /nfs/dbraw/zinc/42/18/18/747421818.db2.gz YLTGLFSINPBIIV-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248266 747421824 /nfs/dbraw/zinc/42/18/24/747421824.db2.gz YLTGLFSINPBIIV-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@@H]1C ZINC001071514938 761920297 /nfs/dbraw/zinc/92/02/97/761920297.db2.gz PTRDMETUYLJESA-LSDHHAIUSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@@H]1C ZINC001071514938 761920305 /nfs/dbraw/zinc/92/03/05/761920305.db2.gz PTRDMETUYLJESA-LSDHHAIUSA-N 2 1 317.437 0.661 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912697 750723985 /nfs/dbraw/zinc/72/39/85/750723985.db2.gz MTGDUVFYWUESFD-HIFRSBDPSA-N 2 1 305.426 0.823 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001099169401 750938713 /nfs/dbraw/zinc/93/87/13/750938713.db2.gz STYJVLPDCBZAOY-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001099169401 750938718 /nfs/dbraw/zinc/93/87/18/750938718.db2.gz STYJVLPDCBZAOY-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099169401 750938722 /nfs/dbraw/zinc/93/87/22/750938722.db2.gz STYJVLPDCBZAOY-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099169401 750938725 /nfs/dbraw/zinc/93/87/25/750938725.db2.gz STYJVLPDCBZAOY-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767403 751271134 /nfs/dbraw/zinc/27/11/34/751271134.db2.gz ABEDCYSRKYXCGV-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077777452 752519788 /nfs/dbraw/zinc/51/97/88/752519788.db2.gz MKBIYGKWLIAAEM-ARFHVFGLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077777452 752519794 /nfs/dbraw/zinc/51/97/94/752519794.db2.gz MKBIYGKWLIAAEM-ARFHVFGLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107953215 752595406 /nfs/dbraw/zinc/59/54/06/752595406.db2.gz UVEPLCIYHSQKNR-LZLYRXPVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107953215 752595412 /nfs/dbraw/zinc/59/54/12/752595412.db2.gz UVEPLCIYHSQKNR-LZLYRXPVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953215 752595419 /nfs/dbraw/zinc/59/54/19/752595419.db2.gz UVEPLCIYHSQKNR-LZLYRXPVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953215 752595427 /nfs/dbraw/zinc/59/54/27/752595427.db2.gz UVEPLCIYHSQKNR-LZLYRXPVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077924163 752870570 /nfs/dbraw/zinc/87/05/70/752870570.db2.gz WHGJTLRWWUXMBB-HZPDHXFCSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108009510 752909712 /nfs/dbraw/zinc/90/97/12/752909712.db2.gz BKPOFPFXJOXOFN-DOTOQJQBSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108009510 752909716 /nfs/dbraw/zinc/90/97/16/752909716.db2.gz BKPOFPFXJOXOFN-DOTOQJQBSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077975254 752934413 /nfs/dbraw/zinc/93/44/13/752934413.db2.gz GWQXEINJJYLUMR-HZPDHXFCSA-N 2 1 307.438 0.456 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077975254 752934415 /nfs/dbraw/zinc/93/44/15/752934415.db2.gz GWQXEINJJYLUMR-HZPDHXFCSA-N 2 1 307.438 0.456 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078017859 752984373 /nfs/dbraw/zinc/98/43/73/752984373.db2.gz AHEGBFCJDFWRHY-UKRRQHHQSA-N 2 1 304.394 0.499 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078017859 752984380 /nfs/dbraw/zinc/98/43/80/752984380.db2.gz AHEGBFCJDFWRHY-UKRRQHHQSA-N 2 1 304.394 0.499 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077230 753468184 /nfs/dbraw/zinc/46/81/84/753468184.db2.gz SSJRSWUENVDUDW-MRXNPFEDSA-N 2 1 318.465 0.487 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046077726 753468691 /nfs/dbraw/zinc/46/86/91/753468691.db2.gz YDADATYTVRNNMY-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077726 753468697 /nfs/dbraw/zinc/46/86/97/753468697.db2.gz YDADATYTVRNNMY-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077726 753468701 /nfs/dbraw/zinc/46/87/01/753468701.db2.gz YDADATYTVRNNMY-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046082471 753471799 /nfs/dbraw/zinc/47/17/99/753471799.db2.gz SDKVXLPVDFREFT-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082471 753471806 /nfs/dbraw/zinc/47/18/06/753471806.db2.gz SDKVXLPVDFREFT-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082471 753471810 /nfs/dbraw/zinc/47/18/10/753471810.db2.gz SDKVXLPVDFREFT-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081905 753472166 /nfs/dbraw/zinc/47/21/66/753472166.db2.gz LRLPFBFTIYOGBZ-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081905 753472170 /nfs/dbraw/zinc/47/21/70/753472170.db2.gz LRLPFBFTIYOGBZ-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081905 753472174 /nfs/dbraw/zinc/47/21/74/753472174.db2.gz LRLPFBFTIYOGBZ-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500713 753753348 /nfs/dbraw/zinc/75/33/48/753753348.db2.gz DAJOZJSIYNNGNZ-HTUOJYHCSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046500713 753753352 /nfs/dbraw/zinc/75/33/52/753753352.db2.gz DAJOZJSIYNNGNZ-HTUOJYHCSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046500713 753753354 /nfs/dbraw/zinc/75/33/54/753753354.db2.gz DAJOZJSIYNNGNZ-HTUOJYHCSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001047408947 754256133 /nfs/dbraw/zinc/25/61/33/754256133.db2.gz KYGHZHPOMMIMQH-PMPSAXMXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047408947 754256135 /nfs/dbraw/zinc/25/61/35/754256135.db2.gz KYGHZHPOMMIMQH-PMPSAXMXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047408947 754256141 /nfs/dbraw/zinc/25/61/41/754256141.db2.gz KYGHZHPOMMIMQH-PMPSAXMXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047408947 754256144 /nfs/dbraw/zinc/25/61/44/754256144.db2.gz KYGHZHPOMMIMQH-PMPSAXMXSA-N 2 1 307.438 0.386 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047443011 754286615 /nfs/dbraw/zinc/28/66/15/754286615.db2.gz PPHWBRGHGZXUQP-GJZGRUSLSA-N 2 1 307.438 0.694 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084207 754515087 /nfs/dbraw/zinc/51/50/87/754515087.db2.gz DYKQIQWLGPKJTQ-KGLIPLIRSA-N 2 1 320.441 0.536 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084207 754515088 /nfs/dbraw/zinc/51/50/88/754515088.db2.gz DYKQIQWLGPKJTQ-KGLIPLIRSA-N 2 1 320.441 0.536 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084207 754515091 /nfs/dbraw/zinc/51/50/91/754515091.db2.gz DYKQIQWLGPKJTQ-KGLIPLIRSA-N 2 1 320.441 0.536 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084207 754515093 /nfs/dbraw/zinc/51/50/93/754515093.db2.gz DYKQIQWLGPKJTQ-KGLIPLIRSA-N 2 1 320.441 0.536 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204947 754557713 /nfs/dbraw/zinc/55/77/13/754557713.db2.gz MYUULJBYSWUAAP-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204947 754557716 /nfs/dbraw/zinc/55/77/16/754557716.db2.gz MYUULJBYSWUAAP-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222413 755190307 /nfs/dbraw/zinc/19/03/07/755190307.db2.gz GWXVIEXOMYAUKA-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222413 755190311 /nfs/dbraw/zinc/19/03/11/755190311.db2.gz GWXVIEXOMYAUKA-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222413 755190315 /nfs/dbraw/zinc/19/03/15/755190315.db2.gz GWXVIEXOMYAUKA-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222413 755190319 /nfs/dbraw/zinc/19/03/19/755190319.db2.gz GWXVIEXOMYAUKA-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC#C)CC2)CC1 ZINC001052959724 755886006 /nfs/dbraw/zinc/88/60/06/755886006.db2.gz WYTIPXNGPKGKHG-QGZVFWFLSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717527 755977643 /nfs/dbraw/zinc/97/76/43/755977643.db2.gz MDDITSUULHTULA-GDBMZVCRSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001054147859 756385193 /nfs/dbraw/zinc/38/51/93/756385193.db2.gz ZYYMBNXZYTWNCX-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054147859 756385197 /nfs/dbraw/zinc/38/51/97/756385197.db2.gz ZYYMBNXZYTWNCX-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCO)C2)C1 ZINC001054147859 756385202 /nfs/dbraw/zinc/38/52/02/756385202.db2.gz ZYYMBNXZYTWNCX-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCO)C2)C1 ZINC001054147859 756385207 /nfs/dbraw/zinc/38/52/07/756385207.db2.gz ZYYMBNXZYTWNCX-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001090383006 757274562 /nfs/dbraw/zinc/27/45/62/757274562.db2.gz WBQUMEBGAYDQMS-CVEARBPZSA-N 2 1 312.373 0.441 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001090383006 757274570 /nfs/dbraw/zinc/27/45/70/757274570.db2.gz WBQUMEBGAYDQMS-CVEARBPZSA-N 2 1 312.373 0.441 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392171 757352394 /nfs/dbraw/zinc/35/23/94/757352394.db2.gz QRUNPAAPNXSZQH-CABCVRRESA-N 2 1 307.438 0.742 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050551166 757829328 /nfs/dbraw/zinc/82/93/28/757829328.db2.gz QRCHONUVKKOEQA-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050551166 757829341 /nfs/dbraw/zinc/82/93/41/757829341.db2.gz QRCHONUVKKOEQA-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745266 758009853 /nfs/dbraw/zinc/00/98/53/758009853.db2.gz QHOAEFHPTQYNSW-GDBMZVCRSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001052037630 759132629 /nfs/dbraw/zinc/13/26/29/759132629.db2.gz OONIXPRBOUNEQS-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001052037630 759132635 /nfs/dbraw/zinc/13/26/35/759132635.db2.gz OONIXPRBOUNEQS-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036883 759132738 /nfs/dbraw/zinc/13/27/38/759132738.db2.gz WUGAMRLYKRUFHC-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781850 759304014 /nfs/dbraw/zinc/30/40/14/759304014.db2.gz HALMPDDGENPJJF-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781850 759304020 /nfs/dbraw/zinc/30/40/20/759304020.db2.gz HALMPDDGENPJJF-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781850 759304030 /nfs/dbraw/zinc/30/40/30/759304030.db2.gz HALMPDDGENPJJF-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#CC)CC1 ZINC001085986711 759547135 /nfs/dbraw/zinc/54/71/35/759547135.db2.gz LKCULMNSYDWDJI-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#CC)CC1 ZINC001085986711 759547137 /nfs/dbraw/zinc/54/71/37/759547137.db2.gz LKCULMNSYDWDJI-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147898092 767876946 /nfs/dbraw/zinc/87/69/46/767876946.db2.gz FDMCCTNJCXFOGY-UHFFFAOYSA-N 2 1 318.421 0.928 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147898092 767876951 /nfs/dbraw/zinc/87/69/51/767876951.db2.gz FDMCCTNJCXFOGY-UHFFFAOYSA-N 2 1 318.421 0.928 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433321 761647414 /nfs/dbraw/zinc/64/74/14/761647414.db2.gz PUJBGWWMARZSME-GJZGRUSLSA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433321 761647415 /nfs/dbraw/zinc/64/74/15/761647415.db2.gz PUJBGWWMARZSME-GJZGRUSLSA-N 2 1 306.410 0.709 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341343 762866995 /nfs/dbraw/zinc/86/69/95/762866995.db2.gz AJYZMHOVIFWFIC-IJLUTSLNSA-N 2 1 303.328 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129437342 762943796 /nfs/dbraw/zinc/94/37/96/762943796.db2.gz ZEABCNNIHMMTET-QWHCGFSZSA-N 2 1 319.409 0.157 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970860 768106098 /nfs/dbraw/zinc/10/60/98/768106098.db2.gz KSXLNSGPICQYLS-XHSDSOJGSA-N 2 1 317.437 0.584 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001099899597 763108796 /nfs/dbraw/zinc/10/87/96/763108796.db2.gz VQWQFMLGFYZISQ-CVEARBPZSA-N 2 1 318.421 0.645 20 30 DCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123440 763143213 /nfs/dbraw/zinc/14/32/13/763143213.db2.gz RFHISTFECSGKDO-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115988 763327143 /nfs/dbraw/zinc/32/71/43/763327143.db2.gz JFSNDSDFXKZLRC-IAGOWNOFSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681695 763934409 /nfs/dbraw/zinc/93/44/09/763934409.db2.gz GPDHZGYXMHQPEO-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC#CCOC)C[C@@]2(C)C1 ZINC001101444104 764098537 /nfs/dbraw/zinc/09/85/37/764098537.db2.gz YVIHZKUNZFLERF-AEFFLSMTSA-N 2 1 321.465 0.758 20 30 DCEDMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC#CCOC)C[C@@]2(C)C1 ZINC001101444104 764098547 /nfs/dbraw/zinc/09/85/47/764098547.db2.gz YVIHZKUNZFLERF-AEFFLSMTSA-N 2 1 321.465 0.758 20 30 DCEDMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC#CCOC)C[C@@]2(C)C1 ZINC001101444104 764098554 /nfs/dbraw/zinc/09/85/54/764098554.db2.gz YVIHZKUNZFLERF-AEFFLSMTSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266520 764345704 /nfs/dbraw/zinc/34/57/04/764345704.db2.gz XWKYEPVZALYRPB-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266520 764345715 /nfs/dbraw/zinc/34/57/15/764345715.db2.gz XWKYEPVZALYRPB-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844362 764371171 /nfs/dbraw/zinc/37/11/71/764371171.db2.gz XIZSQGOUJRQPMP-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844362 764371180 /nfs/dbraw/zinc/37/11/80/764371180.db2.gz XIZSQGOUJRQPMP-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844362 764371185 /nfs/dbraw/zinc/37/11/85/764371185.db2.gz XIZSQGOUJRQPMP-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844362 764371190 /nfs/dbraw/zinc/37/11/90/764371190.db2.gz XIZSQGOUJRQPMP-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132377189 764427907 /nfs/dbraw/zinc/42/79/07/764427907.db2.gz URMIXQBHTUWKRD-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132377189 764427910 /nfs/dbraw/zinc/42/79/10/764427910.db2.gz URMIXQBHTUWKRD-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098479014 764438083 /nfs/dbraw/zinc/43/80/83/764438083.db2.gz OBZFHFOLKJVILF-HOCLYGCPSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479014 764438088 /nfs/dbraw/zinc/43/80/88/764438088.db2.gz OBZFHFOLKJVILF-HOCLYGCPSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479014 764438093 /nfs/dbraw/zinc/43/80/93/764438093.db2.gz OBZFHFOLKJVILF-HOCLYGCPSA-N 2 1 307.438 0.103 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132409587 764447428 /nfs/dbraw/zinc/44/74/28/764447428.db2.gz BNVJLNOOKZIDEM-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132409587 764447432 /nfs/dbraw/zinc/44/74/32/764447432.db2.gz BNVJLNOOKZIDEM-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132409587 764447434 /nfs/dbraw/zinc/44/74/34/764447434.db2.gz BNVJLNOOKZIDEM-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132409587 764447438 /nfs/dbraw/zinc/44/74/38/764447438.db2.gz BNVJLNOOKZIDEM-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC#CCOC)C2 ZINC001111926955 765429202 /nfs/dbraw/zinc/42/92/02/765429202.db2.gz RAPMXQPKHFLDSZ-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC#CCOC)C2 ZINC001111926955 765429207 /nfs/dbraw/zinc/42/92/07/765429207.db2.gz RAPMXQPKHFLDSZ-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#CCOC)C2 ZINC001111926955 765429211 /nfs/dbraw/zinc/42/92/11/765429211.db2.gz RAPMXQPKHFLDSZ-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593288 765763232 /nfs/dbraw/zinc/76/32/32/765763232.db2.gz GUNVGHBKIVKENH-HUUCEWRRSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593288 765763237 /nfs/dbraw/zinc/76/32/37/765763237.db2.gz GUNVGHBKIVKENH-HUUCEWRRSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C(C)C)[C@H](O)C1 ZINC001090618037 766383196 /nfs/dbraw/zinc/38/31/96/766383196.db2.gz ZMWCRVLHPCRFLZ-UONOGXRCSA-N 2 1 304.394 0.191 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090694479 766483182 /nfs/dbraw/zinc/48/31/82/766483182.db2.gz ZUEISXYNEVAFKR-HOTGVXAUSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090694479 766483186 /nfs/dbraw/zinc/48/31/86/766483186.db2.gz ZUEISXYNEVAFKR-HOTGVXAUSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC001090830328 766647352 /nfs/dbraw/zinc/64/73/52/766647352.db2.gz LKZJRZRKDJBJGF-DLBZAZTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC001090830328 766647355 /nfs/dbraw/zinc/64/73/55/766647355.db2.gz LKZJRZRKDJBJGF-DLBZAZTESA-N 2 1 315.417 0.546 20 30 DCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001091150811 766960614 /nfs/dbraw/zinc/96/06/14/766960614.db2.gz AAYGSDSLKVUAEJ-RDVIWEACSA-N 2 1 305.422 0.520 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149984683 768920824 /nfs/dbraw/zinc/92/08/24/768920824.db2.gz WZXWMDIIIZNFOR-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149984683 768920827 /nfs/dbraw/zinc/92/08/27/768920827.db2.gz WZXWMDIIIZNFOR-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC001094436426 769056321 /nfs/dbraw/zinc/05/63/21/769056321.db2.gz RQVHTTBVKNAIFZ-LZLYRXPVSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001094436426 769056330 /nfs/dbraw/zinc/05/63/30/769056330.db2.gz RQVHTTBVKNAIFZ-LZLYRXPVSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCO)CC2 ZINC001094436426 769056340 /nfs/dbraw/zinc/05/63/40/769056340.db2.gz RQVHTTBVKNAIFZ-LZLYRXPVSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCO)CC2 ZINC001094436426 769056350 /nfs/dbraw/zinc/05/63/50/769056350.db2.gz RQVHTTBVKNAIFZ-LZLYRXPVSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150723361 769170514 /nfs/dbraw/zinc/17/05/14/769170514.db2.gz KCNPVXUQKQRUSE-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150723361 769170515 /nfs/dbraw/zinc/17/05/15/769170515.db2.gz KCNPVXUQKQRUSE-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151408854 769331944 /nfs/dbraw/zinc/33/19/44/769331944.db2.gz PRXNDJKNQLKIEO-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCN1CC[NH+](C)C2(CCN([C@@H]3CC[N@@H+](CC)C3)CC2)C1=O ZINC001173362265 769606552 /nfs/dbraw/zinc/60/65/52/769606552.db2.gz RDDZQRHHRUGUOT-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCN1CC[NH+](C)C2(CCN([C@@H]3CC[N@H+](CC)C3)CC2)C1=O ZINC001173362265 769606556 /nfs/dbraw/zinc/60/65/56/769606556.db2.gz RDDZQRHHRUGUOT-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCN1CC[N@@H+](C)C2(CCN([C@@H]3CC[NH+](CC)C3)CC2)C1=O ZINC001173362265 769606559 /nfs/dbraw/zinc/60/65/59/769606559.db2.gz RDDZQRHHRUGUOT-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCN1CC[N@H+](C)C2(CCN([C@@H]3CC[NH+](CC)C3)CC2)C1=O ZINC001173362265 769606561 /nfs/dbraw/zinc/60/65/61/769606561.db2.gz RDDZQRHHRUGUOT-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176992576 770282905 /nfs/dbraw/zinc/28/29/05/770282905.db2.gz UUUVVLMOIIBUEY-CABCVRRESA-N 2 1 324.469 0.647 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180260042 771086885 /nfs/dbraw/zinc/08/68/85/771086885.db2.gz RFFQRQBYNJJSFZ-HNNXBMFYSA-N 2 1 324.469 0.507 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249213 771628417 /nfs/dbraw/zinc/62/84/17/771628417.db2.gz DFINZUMMTHKDKM-HUUCEWRRSA-N 2 1 303.410 0.027 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158029833 771715536 /nfs/dbraw/zinc/71/55/36/771715536.db2.gz LKOAKOXUWVQIRE-GJZGRUSLSA-N 2 1 322.453 0.259 20 30 DCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868515 771970912 /nfs/dbraw/zinc/97/09/12/771970912.db2.gz FPYKDMFKBLEZDO-INIZCTEOSA-N 2 1 307.438 0.749 20 30 DCEDMP N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)cc1 ZINC001161324763 772205661 /nfs/dbraw/zinc/20/56/61/772205661.db2.gz SJXGKLBSUZOHJC-CABCVRRESA-N 2 1 302.378 0.604 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161551583 772243672 /nfs/dbraw/zinc/24/36/72/772243672.db2.gz IWVQOHAAEKULNN-UHFFFAOYSA-N 2 1 310.398 0.648 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)(COC)CC1 ZINC001162586036 772394958 /nfs/dbraw/zinc/39/49/58/772394958.db2.gz YUVGIRDTMSQIRR-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)(COC)CC1 ZINC001162604428 772397481 /nfs/dbraw/zinc/39/74/81/772397481.db2.gz SHSLYQYMJGKDJU-UHFFFAOYSA-N 2 1 318.421 0.670 20 30 DCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872584 772428451 /nfs/dbraw/zinc/42/84/51/772428451.db2.gz XCZHOJFUEHIBIB-CKDBGZEDSA-N 2 1 307.438 0.912 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190240093 772609537 /nfs/dbraw/zinc/60/95/37/772609537.db2.gz ZXTSDKZCAFGLPA-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190240093 772609540 /nfs/dbraw/zinc/60/95/40/772609540.db2.gz ZXTSDKZCAFGLPA-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190240093 772609541 /nfs/dbraw/zinc/60/95/41/772609541.db2.gz ZXTSDKZCAFGLPA-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190240093 772609544 /nfs/dbraw/zinc/60/95/44/772609544.db2.gz ZXTSDKZCAFGLPA-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@@H+]2CCC[C@H]2C)C1=O ZINC001166627062 772831456 /nfs/dbraw/zinc/83/14/56/772831456.db2.gz PALYLVTUWZJNQM-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192353782 772909522 /nfs/dbraw/zinc/90/95/22/772909522.db2.gz HQVPQWLQJXWCGC-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192353782 772909524 /nfs/dbraw/zinc/90/95/24/772909524.db2.gz HQVPQWLQJXWCGC-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353782 772909526 /nfs/dbraw/zinc/90/95/26/772909526.db2.gz HQVPQWLQJXWCGC-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353782 772909527 /nfs/dbraw/zinc/90/95/27/772909527.db2.gz HQVPQWLQJXWCGC-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](C)OC)CC1 ZINC001205479684 772994779 /nfs/dbraw/zinc/99/47/79/772994779.db2.gz SLUIRZUOMTUNGW-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](C)OC)CC1 ZINC001205479684 772994783 /nfs/dbraw/zinc/99/47/83/772994783.db2.gz SLUIRZUOMTUNGW-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281567 773062101 /nfs/dbraw/zinc/06/21/01/773062101.db2.gz MGPBRQBCPSUGLR-DOTOQJQBSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193695677 773105213 /nfs/dbraw/zinc/10/52/13/773105213.db2.gz KULVPCWCYOPOQI-CQSZACIVSA-N 2 1 304.394 0.443 20 30 DCEDMP COCC#CCN(C)[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193695677 773105214 /nfs/dbraw/zinc/10/52/14/773105214.db2.gz KULVPCWCYOPOQI-CQSZACIVSA-N 2 1 304.394 0.443 20 30 DCEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206928839 773137481 /nfs/dbraw/zinc/13/74/81/773137481.db2.gz KQBPXQMAEUFQCB-MRXNPFEDSA-N 2 1 309.454 0.969 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026337 773140422 /nfs/dbraw/zinc/14/04/22/773140422.db2.gz CJENCOUHPZSNSR-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026669 773140696 /nfs/dbraw/zinc/14/06/96/773140696.db2.gz IDFYRYGFUSEHLZ-OAHLLOKOSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026669 773140698 /nfs/dbraw/zinc/14/06/98/773140698.db2.gz IDFYRYGFUSEHLZ-OAHLLOKOSA-N 2 1 306.410 0.927 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC#CC)C2)CC1 ZINC001194245970 773167630 /nfs/dbraw/zinc/16/76/30/773167630.db2.gz HUBBYRKNSUTZAJ-QGZVFWFLSA-N 2 1 301.434 0.888 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207617028 773248454 /nfs/dbraw/zinc/24/84/54/773248454.db2.gz MNPOOPBJMQYMEN-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207617028 773248459 /nfs/dbraw/zinc/24/84/59/773248459.db2.gz MNPOOPBJMQYMEN-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207617028 773248462 /nfs/dbraw/zinc/24/84/62/773248462.db2.gz MNPOOPBJMQYMEN-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007113 773305678 /nfs/dbraw/zinc/30/56/78/773305678.db2.gz XJDLGZUQZDILCZ-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208330790 773435663 /nfs/dbraw/zinc/43/56/63/773435663.db2.gz FPRCXKMEYCFSDR-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209633358 773627415 /nfs/dbraw/zinc/62/74/15/773627415.db2.gz SWZHTSXFUQPLLN-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197038586 773687990 /nfs/dbraw/zinc/68/79/90/773687990.db2.gz XMSJJTOIADILON-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197038586 773687993 /nfs/dbraw/zinc/68/79/93/773687993.db2.gz XMSJJTOIADILON-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210297158 773696365 /nfs/dbraw/zinc/69/63/65/773696365.db2.gz CFWNTUJLCMBXQT-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210297158 773696367 /nfs/dbraw/zinc/69/63/67/773696367.db2.gz CFWNTUJLCMBXQT-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210297158 773696370 /nfs/dbraw/zinc/69/63/70/773696370.db2.gz CFWNTUJLCMBXQT-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673958 773728797 /nfs/dbraw/zinc/72/87/97/773728797.db2.gz KOVLBPCKAJGCMG-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434652 773847002 /nfs/dbraw/zinc/84/70/02/773847002.db2.gz JWQFHKOIJPHHSY-BZUAXINKSA-N 2 1 309.454 0.946 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434652 773847004 /nfs/dbraw/zinc/84/70/04/773847004.db2.gz JWQFHKOIJPHHSY-BZUAXINKSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929615 773903803 /nfs/dbraw/zinc/90/38/03/773903803.db2.gz DVLOWGLEVCDMBZ-HUUCEWRRSA-N 2 1 313.442 0.345 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929615 773903810 /nfs/dbraw/zinc/90/38/10/773903810.db2.gz DVLOWGLEVCDMBZ-HUUCEWRRSA-N 2 1 313.442 0.345 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929615 773903812 /nfs/dbraw/zinc/90/38/12/773903812.db2.gz DVLOWGLEVCDMBZ-HUUCEWRRSA-N 2 1 313.442 0.345 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC)C1 ZINC001214880810 774021343 /nfs/dbraw/zinc/02/13/43/774021343.db2.gz WDBORJLNNQKLDM-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC)C1 ZINC001214880810 774021345 /nfs/dbraw/zinc/02/13/45/774021345.db2.gz WDBORJLNNQKLDM-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216756084 774134120 /nfs/dbraw/zinc/13/41/20/774134120.db2.gz RBDSMHBODTVVRB-UKRRQHHQSA-N 2 1 304.394 0.278 20 30 DCEDMP COC(=O)[C@@H]([NH3+])CCC(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218552165 774244831 /nfs/dbraw/zinc/24/48/31/774244831.db2.gz CHVWEBCQLXTGSA-JTQLQIEISA-N 2 1 322.390 0.484 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201421924 774507346 /nfs/dbraw/zinc/50/73/46/774507346.db2.gz YBCFLFYKJWAUGK-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202069060 774597589 /nfs/dbraw/zinc/59/75/89/774597589.db2.gz KZHCHAFSFFVQJP-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202163272 774609823 /nfs/dbraw/zinc/60/98/23/774609823.db2.gz FUDLJMAEAODVPK-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813934 774617001 /nfs/dbraw/zinc/61/70/01/774617001.db2.gz LRSAIKLVHGHNGI-BMFZPTHFSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813934 774617003 /nfs/dbraw/zinc/61/70/03/774617003.db2.gz LRSAIKLVHGHNGI-BMFZPTHFSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813934 774617006 /nfs/dbraw/zinc/61/70/06/774617006.db2.gz LRSAIKLVHGHNGI-BMFZPTHFSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202504646 774772304 /nfs/dbraw/zinc/77/23/04/774772304.db2.gz VEDNMIHCLOWSAK-ZFWWWQNUSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919251 775228450 /nfs/dbraw/zinc/22/84/50/775228450.db2.gz GAHWRNHXXLAENZ-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221919251 775228457 /nfs/dbraw/zinc/22/84/57/775228457.db2.gz GAHWRNHXXLAENZ-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919251 775228464 /nfs/dbraw/zinc/22/84/64/775228464.db2.gz GAHWRNHXXLAENZ-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919251 775228472 /nfs/dbraw/zinc/22/84/72/775228472.db2.gz GAHWRNHXXLAENZ-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001111022905 775403540 /nfs/dbraw/zinc/40/35/40/775403540.db2.gz YEFRMVGATNWZFP-VQHPVUNQSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916509 775525381 /nfs/dbraw/zinc/52/53/81/775525381.db2.gz LFSYVDOUOJRVOI-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226723591 775869746 /nfs/dbraw/zinc/86/97/46/775869746.db2.gz WJYYARMMZYCEPE-OAHLLOKOSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226723591 775869756 /nfs/dbraw/zinc/86/97/56/775869756.db2.gz WJYYARMMZYCEPE-OAHLLOKOSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228054450 776042881 /nfs/dbraw/zinc/04/28/81/776042881.db2.gz QHULNKGFLUXNPC-UHFFFAOYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001228054450 776042886 /nfs/dbraw/zinc/04/28/86/776042886.db2.gz QHULNKGFLUXNPC-UHFFFAOYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001229184787 776166530 /nfs/dbraw/zinc/16/65/30/776166530.db2.gz BNRRFZXKVZUXMB-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001229184787 776166535 /nfs/dbraw/zinc/16/65/35/776166535.db2.gz BNRRFZXKVZUXMB-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114924483 776396896 /nfs/dbraw/zinc/39/68/96/776396896.db2.gz GSKZKSNSWSKFII-VQFNDLOPSA-N 2 1 321.465 0.967 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042271086 777821592 /nfs/dbraw/zinc/82/15/92/777821592.db2.gz WGCDUUFBGRNPCE-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042271086 777821603 /nfs/dbraw/zinc/82/16/03/777821603.db2.gz WGCDUUFBGRNPCE-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317840053 945204760 /nfs/dbraw/zinc/20/47/60/945204760.db2.gz NQJXXRWPCHXXFG-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317840053 945204764 /nfs/dbraw/zinc/20/47/64/945204764.db2.gz NQJXXRWPCHXXFG-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317840053 945204769 /nfs/dbraw/zinc/20/47/69/945204769.db2.gz NQJXXRWPCHXXFG-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266247157 939025449 /nfs/dbraw/zinc/02/54/49/939025449.db2.gz DQOZMVRHWSNUQG-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266247157 939025452 /nfs/dbraw/zinc/02/54/52/939025452.db2.gz DQOZMVRHWSNUQG-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266247157 939025454 /nfs/dbraw/zinc/02/54/54/939025454.db2.gz DQOZMVRHWSNUQG-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266247157 939025457 /nfs/dbraw/zinc/02/54/57/939025457.db2.gz DQOZMVRHWSNUQG-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266879734 939264614 /nfs/dbraw/zinc/26/46/14/939264614.db2.gz XFLARRNFHMPRGF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001266916689 939276495 /nfs/dbraw/zinc/27/64/95/939276495.db2.gz BHBAPCDUYGWJRO-UHFFFAOYSA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267056552 939325760 /nfs/dbraw/zinc/32/57/60/939325760.db2.gz YFROTVKDSPEZMG-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267571942 939515135 /nfs/dbraw/zinc/51/51/35/939515135.db2.gz VAHWYKNFVAMEKM-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267571942 939515136 /nfs/dbraw/zinc/51/51/36/939515136.db2.gz VAHWYKNFVAMEKM-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267571942 939515137 /nfs/dbraw/zinc/51/51/37/939515137.db2.gz VAHWYKNFVAMEKM-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267571942 939515138 /nfs/dbraw/zinc/51/51/38/939515138.db2.gz VAHWYKNFVAMEKM-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267745635 939658229 /nfs/dbraw/zinc/65/82/29/939658229.db2.gz ZGINHAFNCRQPST-MGPQQGTHSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267745635 939658230 /nfs/dbraw/zinc/65/82/30/939658230.db2.gz ZGINHAFNCRQPST-MGPQQGTHSA-N 2 1 310.442 0.208 20 30 DCEDMP COCC#CCN1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001318159449 945276906 /nfs/dbraw/zinc/27/69/06/945276906.db2.gz REXWUDZNAINCTP-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001318159449 945276914 /nfs/dbraw/zinc/27/69/14/945276914.db2.gz REXWUDZNAINCTP-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CC#CCOC)C2)C1 ZINC001318349284 945327444 /nfs/dbraw/zinc/32/74/44/945327444.db2.gz HVBIWMLWSMWZMD-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CC#CCOC)C2)C1 ZINC001318349284 945327451 /nfs/dbraw/zinc/32/74/51/945327451.db2.gz HVBIWMLWSMWZMD-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CC#CCOC)C2)C1 ZINC001318349284 945327459 /nfs/dbraw/zinc/32/74/59/945327459.db2.gz HVBIWMLWSMWZMD-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#CCOC)C2)C1 ZINC001318349284 945327468 /nfs/dbraw/zinc/32/74/68/945327468.db2.gz HVBIWMLWSMWZMD-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001269096797 940617726 /nfs/dbraw/zinc/61/77/26/940617726.db2.gz BNSVLVCHCKIRGR-HNNXBMFYSA-N 2 1 304.394 0.504 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001278432185 945340846 /nfs/dbraw/zinc/34/08/46/945340846.db2.gz BWPASTSGJGMXBF-YOEHRIQHSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001278432185 945340858 /nfs/dbraw/zinc/34/08/58/945340858.db2.gz BWPASTSGJGMXBF-YOEHRIQHSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001278432185 945340868 /nfs/dbraw/zinc/34/08/68/945340868.db2.gz BWPASTSGJGMXBF-YOEHRIQHSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001278432185 945340879 /nfs/dbraw/zinc/34/08/79/945340879.db2.gz BWPASTSGJGMXBF-YOEHRIQHSA-N 2 1 324.469 0.600 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001284468833 940674308 /nfs/dbraw/zinc/67/43/08/940674308.db2.gz ORGIJRFGYVCVRG-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001284468833 940674311 /nfs/dbraw/zinc/67/43/11/940674311.db2.gz ORGIJRFGYVCVRG-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCCOC)CC1 ZINC001269352768 940691544 /nfs/dbraw/zinc/69/15/44/940691544.db2.gz WBZDAZTZQUAFOH-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001270655635 940955879 /nfs/dbraw/zinc/95/58/79/940955879.db2.gz FBZSGUIIKXEWNA-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001270655635 940955884 /nfs/dbraw/zinc/95/58/84/940955884.db2.gz FBZSGUIIKXEWNA-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001271610087 941410068 /nfs/dbraw/zinc/41/00/68/941410068.db2.gz UPTHQBIXBXXCES-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271884558 941472949 /nfs/dbraw/zinc/47/29/49/941472949.db2.gz KGTIMDIKOLRKOZ-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001482564951 941506941 /nfs/dbraw/zinc/50/69/41/941506941.db2.gz IIFAPSCRZVRCON-JKSUJKDBSA-N 2 1 309.454 0.708 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482661137 941612911 /nfs/dbraw/zinc/61/29/11/941612911.db2.gz CMWGAYDCACAVBB-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1=CCCCC1 ZINC001272444480 942757412 /nfs/dbraw/zinc/75/74/12/942757412.db2.gz UNFDEYBHFLQLHC-IRXDYDNUSA-N 2 1 319.449 0.651 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1=CCCCC1 ZINC001272444480 942757417 /nfs/dbraw/zinc/75/74/17/942757417.db2.gz UNFDEYBHFLQLHC-IRXDYDNUSA-N 2 1 319.449 0.651 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001272503991 942790733 /nfs/dbraw/zinc/79/07/33/942790733.db2.gz KBHWOJYKPVXHHM-ZBFHGGJFSA-N 2 1 320.437 0.787 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484282669 943287045 /nfs/dbraw/zinc/28/70/45/943287045.db2.gz NQMBIGVQZLDNSP-UHFFFAOYSA-N 2 1 307.438 0.744 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484420436 943363202 /nfs/dbraw/zinc/36/32/02/943363202.db2.gz FJHOIVPTAXMAPE-INIZCTEOSA-N 2 1 306.454 0.274 20 30 DCEDMP C#CC[N@H+](C)CCCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001484748357 943556292 /nfs/dbraw/zinc/55/62/92/943556292.db2.gz ZOAXGVGGFXWSRH-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001485298644 943808729 /nfs/dbraw/zinc/80/87/29/943808729.db2.gz BRAWTIJNBJSCSY-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001485298644 943808731 /nfs/dbraw/zinc/80/87/31/943808731.db2.gz BRAWTIJNBJSCSY-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001485298644 943808733 /nfs/dbraw/zinc/80/87/33/943808733.db2.gz BRAWTIJNBJSCSY-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001485298644 943808735 /nfs/dbraw/zinc/80/87/35/943808735.db2.gz BRAWTIJNBJSCSY-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001485314106 943819059 /nfs/dbraw/zinc/81/90/59/943819059.db2.gz QVCFLVYGLAZBHQ-CYBMUJFWSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001485314106 943819065 /nfs/dbraw/zinc/81/90/65/943819065.db2.gz QVCFLVYGLAZBHQ-CYBMUJFWSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC[C@@H](C)O)C1 ZINC001485686446 944081187 /nfs/dbraw/zinc/08/11/87/944081187.db2.gz UFABGKFEQLUDSF-VQHPVUNQSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC[C@@H](C)O)C1 ZINC001485686446 944081192 /nfs/dbraw/zinc/08/11/92/944081192.db2.gz UFABGKFEQLUDSF-VQHPVUNQSA-N 2 1 321.465 0.729 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316954388 944676591 /nfs/dbraw/zinc/67/65/91/944676591.db2.gz BTRMDXUGMJNRBU-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316954388 944676598 /nfs/dbraw/zinc/67/65/98/944676598.db2.gz BTRMDXUGMJNRBU-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC#CCOC ZINC001317178562 944836931 /nfs/dbraw/zinc/83/69/31/944836931.db2.gz BYUORKZWLJJNTK-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC#CCOC ZINC001317178562 944836940 /nfs/dbraw/zinc/83/69/40/944836940.db2.gz BYUORKZWLJJNTK-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CC#CCOC ZINC001317178562 944836949 /nfs/dbraw/zinc/83/69/49/944836949.db2.gz BYUORKZWLJJNTK-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1CC#CCOC ZINC001317178562 944836958 /nfs/dbraw/zinc/83/69/58/944836958.db2.gz BYUORKZWLJJNTK-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001317302950 944909663 /nfs/dbraw/zinc/90/96/63/944909663.db2.gz MHROFJGZBKMZSS-KBPBESRZSA-N 2 1 319.409 0.073 20 30 DCEDMP N#CCCC[NH+]1CC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277940509 945053029 /nfs/dbraw/zinc/05/30/29/945053029.db2.gz CFEYBBJGXIPVFW-HNNXBMFYSA-N 2 1 302.422 0.919 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001318789887 945444631 /nfs/dbraw/zinc/44/46/31/945444631.db2.gz PCBPFRUIBRDFAD-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001318789887 945444638 /nfs/dbraw/zinc/44/46/38/945444638.db2.gz PCBPFRUIBRDFAD-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318819386 945450382 /nfs/dbraw/zinc/45/03/82/945450382.db2.gz FHEMMOBKLQURKA-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001319077084 945494120 /nfs/dbraw/zinc/49/41/20/945494120.db2.gz FMJRRALLQVOJLZ-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1(C)C ZINC001278650075 945873860 /nfs/dbraw/zinc/87/38/60/945873860.db2.gz BXHIUFWCVDZIFE-JKSUJKDBSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1(C)C ZINC001278650075 945873867 /nfs/dbraw/zinc/87/38/67/945873867.db2.gz BXHIUFWCVDZIFE-JKSUJKDBSA-N 2 1 301.434 0.934 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001278798611 946415557 /nfs/dbraw/zinc/41/55/57/946415557.db2.gz QORHNXYHPQDBQY-GOEBONIOSA-N 2 1 320.437 0.739 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001410580847 946592353 /nfs/dbraw/zinc/59/23/53/946592353.db2.gz GNPYVSTXJKBLHB-FZMZJTMJSA-N 2 1 322.434 0.281 20 30 DCEDMP CC#CC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001323748478 947190304 /nfs/dbraw/zinc/19/03/04/947190304.db2.gz JHCBLHFJROVVRV-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001323748478 947190310 /nfs/dbraw/zinc/19/03/10/947190310.db2.gz JHCBLHFJROVVRV-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001323748478 947190316 /nfs/dbraw/zinc/19/03/16/947190316.db2.gz JHCBLHFJROVVRV-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001324669770 947499894 /nfs/dbraw/zinc/49/98/94/947499894.db2.gz QXZCGIHECBJUMK-MRXNPFEDSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001324669770 947499897 /nfs/dbraw/zinc/49/98/97/947499897.db2.gz QXZCGIHECBJUMK-MRXNPFEDSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001324669770 947499901 /nfs/dbraw/zinc/49/99/01/947499901.db2.gz QXZCGIHECBJUMK-MRXNPFEDSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001324669770 947499905 /nfs/dbraw/zinc/49/99/05/947499905.db2.gz QXZCGIHECBJUMK-MRXNPFEDSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001325097587 947648899 /nfs/dbraw/zinc/64/88/99/947648899.db2.gz MKSGZZBRWMRJQO-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001325097587 947648911 /nfs/dbraw/zinc/64/89/11/947648911.db2.gz MKSGZZBRWMRJQO-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001325102615 947653903 /nfs/dbraw/zinc/65/39/03/947653903.db2.gz RQSTVYHVJWOOGS-GOEBONIOSA-N 2 1 313.417 0.243 20 30 DCEDMP C#CCCC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273541444 947947677 /nfs/dbraw/zinc/94/76/77/947947677.db2.gz BBHFUVCKWKBLLA-QGZVFWFLSA-N 2 1 305.422 0.803 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325859142 947956371 /nfs/dbraw/zinc/95/63/71/947956371.db2.gz CDBOIGITDAABTG-GOSISDBHSA-N 2 1 323.481 0.931 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325859142 947956379 /nfs/dbraw/zinc/95/63/79/947956379.db2.gz CDBOIGITDAABTG-GOSISDBHSA-N 2 1 323.481 0.931 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325859142 947956387 /nfs/dbraw/zinc/95/63/87/947956387.db2.gz CDBOIGITDAABTG-GOSISDBHSA-N 2 1 323.481 0.931 20 30 DCEDMP C#CCN1CC[C@]2(CCC[N@@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001273728698 948051165 /nfs/dbraw/zinc/05/11/65/948051165.db2.gz WXYRWFPZVRZEEV-GOSISDBHSA-N 2 1 318.465 0.324 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCO1 ZINC001327078132 948388498 /nfs/dbraw/zinc/38/84/98/948388498.db2.gz CEJMQXMWQOXBAW-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)C[C@@H]1CCOC1 ZINC001327212939 948422765 /nfs/dbraw/zinc/42/27/65/948422765.db2.gz KUAFJLXPSXQEQV-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)C[C@@H]1CCOC1 ZINC001327212939 948422768 /nfs/dbraw/zinc/42/27/68/948422768.db2.gz KUAFJLXPSXQEQV-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C[C@@H]1CCOC1 ZINC001327212939 948422771 /nfs/dbraw/zinc/42/27/71/948422771.db2.gz KUAFJLXPSXQEQV-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C[C@@H]1CCOC1 ZINC001327212939 948422775 /nfs/dbraw/zinc/42/27/75/948422775.db2.gz KUAFJLXPSXQEQV-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001328354454 948851501 /nfs/dbraw/zinc/85/15/01/948851501.db2.gz SYPFPGOSNGWZBH-KKUMJFAQSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001328354454 948851517 /nfs/dbraw/zinc/85/15/17/948851517.db2.gz SYPFPGOSNGWZBH-KKUMJFAQSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001264165184 948914665 /nfs/dbraw/zinc/91/46/65/948914665.db2.gz BASMIXVZOBPIOI-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OCC ZINC001264526587 948994723 /nfs/dbraw/zinc/99/47/23/948994723.db2.gz BBSMTYUGHCSMOB-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001264634184 949038473 /nfs/dbraw/zinc/03/84/73/949038473.db2.gz KVUMKPPSKRXWMU-QGZVFWFLSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCN1CCOCC1 ZINC001328764880 949078041 /nfs/dbraw/zinc/07/80/41/949078041.db2.gz FZZBVTPTBLTPIN-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001328764880 949078081 /nfs/dbraw/zinc/07/80/81/949078081.db2.gz FZZBVTPTBLTPIN-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2cncn2C)C1 ZINC001489173204 949534611 /nfs/dbraw/zinc/53/46/11/949534611.db2.gz JJMIQNJULSKQCE-AWEZNQCLSA-N 2 1 306.410 0.434 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490280510 950495221 /nfs/dbraw/zinc/49/52/21/950495221.db2.gz ZYQKHSOOZYMXEZ-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001490280510 950495235 /nfs/dbraw/zinc/49/52/35/950495235.db2.gz ZYQKHSOOZYMXEZ-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001490280510 950495245 /nfs/dbraw/zinc/49/52/45/950495245.db2.gz ZYQKHSOOZYMXEZ-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266230298 950502077 /nfs/dbraw/zinc/50/20/77/950502077.db2.gz NTJSPKGCGYCWTA-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266230298 950502096 /nfs/dbraw/zinc/50/20/96/950502096.db2.gz NTJSPKGCGYCWTA-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001490469595 950711132 /nfs/dbraw/zinc/71/11/32/950711132.db2.gz FHFKBMWXUVGZCF-UHFFFAOYSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001280600332 950975480 /nfs/dbraw/zinc/97/54/80/950975480.db2.gz GQFUFDUIIKWHTI-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC001332408437 951633097 /nfs/dbraw/zinc/63/30/97/951633097.db2.gz PCCDSZDCWXLGQV-WBVHZDCISA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001332408437 951633103 /nfs/dbraw/zinc/63/31/03/951633103.db2.gz PCCDSZDCWXLGQV-WBVHZDCISA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001332408437 951633107 /nfs/dbraw/zinc/63/31/07/951633107.db2.gz PCCDSZDCWXLGQV-WBVHZDCISA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001332408437 951633118 /nfs/dbraw/zinc/63/31/18/951633118.db2.gz PCCDSZDCWXLGQV-WBVHZDCISA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC#CCOC)CC1 ZINC001316870372 952397095 /nfs/dbraw/zinc/39/70/95/952397095.db2.gz NULWXAHUGJLKFW-UHFFFAOYSA-N 2 1 319.449 0.420 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001334873659 952406165 /nfs/dbraw/zinc/40/61/65/952406165.db2.gz JWKCZEISQCPWQQ-UHFFFAOYSA-N 2 1 306.414 0.521 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001282716599 953659492 /nfs/dbraw/zinc/65/94/92/953659492.db2.gz LNBSFSMIJXUPPS-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001282716599 953659500 /nfs/dbraw/zinc/65/95/00/953659500.db2.gz LNBSFSMIJXUPPS-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001346670763 953938841 /nfs/dbraw/zinc/93/88/41/953938841.db2.gz CUVVPCYIEVYXOY-CWRNSKLLSA-N 2 1 304.438 0.723 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001283041597 953947283 /nfs/dbraw/zinc/94/72/83/953947283.db2.gz BUWMCNHISYBWBY-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001284417627 955074513 /nfs/dbraw/zinc/07/45/13/955074513.db2.gz WYOGDHIYTFMDRG-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001284417626 955075138 /nfs/dbraw/zinc/07/51/38/955075138.db2.gz WYOGDHIYTFMDRG-DLBZAZTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)CCOC ZINC001284657449 955217974 /nfs/dbraw/zinc/21/79/74/955217974.db2.gz JDTNXHKPAKRNPX-UHFFFAOYSA-N 2 1 314.389 0.954 20 30 DCEDMP C#CC[N@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)CCOC ZINC001284657449 955217981 /nfs/dbraw/zinc/21/79/81/955217981.db2.gz JDTNXHKPAKRNPX-UHFFFAOYSA-N 2 1 314.389 0.954 20 30 DCEDMP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001367623589 958207719 /nfs/dbraw/zinc/20/77/19/958207719.db2.gz BSGFBMUPLULKFF-LLVKDONJSA-N 2 1 322.247 0.302 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001495870333 959203516 /nfs/dbraw/zinc/20/35/16/959203516.db2.gz IVNLWDMNRYZHKC-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001495870333 959203536 /nfs/dbraw/zinc/20/35/36/959203536.db2.gz IVNLWDMNRYZHKC-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001491855912 959310121 /nfs/dbraw/zinc/31/01/21/959310121.db2.gz LUSAXZLQZZPAMX-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001491855915 959311574 /nfs/dbraw/zinc/31/15/74/959311574.db2.gz LUSAXZLQZZPAMX-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001379204053 962358196 /nfs/dbraw/zinc/35/81/96/962358196.db2.gz BCDNNCUJVLUEAN-FRRDWIJNSA-N 2 1 303.834 0.536 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001369349764 964798447 /nfs/dbraw/zinc/79/84/47/964798447.db2.gz FODIARMRNAEMRQ-HZPDHXFCSA-N 2 1 316.405 0.219 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001502869975 1016110744 /nfs/dbraw/zinc/11/07/44/1016110744.db2.gz BXRCAZJGLISNKP-HUUCEWRRSA-N 2 1 307.438 0.293 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419237874 1000905604 /nfs/dbraw/zinc/90/56/04/1000905604.db2.gz BJWQFQOXQUFHHE-QWHCGFSZSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419237874 1000905607 /nfs/dbraw/zinc/90/56/07/1000905607.db2.gz BJWQFQOXQUFHHE-QWHCGFSZSA-N 2 1 301.818 0.554 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001508231092 1016729297 /nfs/dbraw/zinc/72/92/97/1016729297.db2.gz WDUHMLKNBNQVDW-INIZCTEOSA-N 2 1 319.449 0.726 20 30 DCEDMP C=C(Cl)C[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001436462429 1006197622 /nfs/dbraw/zinc/19/76/22/1006197622.db2.gz GYIILQWGBHXOSX-AWEZNQCLSA-N 2 1 317.861 0.976 20 30 DCEDMP C=C(Cl)C[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001436462429 1006197629 /nfs/dbraw/zinc/19/76/29/1006197629.db2.gz GYIILQWGBHXOSX-AWEZNQCLSA-N 2 1 317.861 0.976 20 30 DCEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001439201890 1006573470 /nfs/dbraw/zinc/57/34/70/1006573470.db2.gz WHEJGQHUSUDVHB-XJKSGUPXSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001439201890 1006573478 /nfs/dbraw/zinc/57/34/78/1006573478.db2.gz WHEJGQHUSUDVHB-XJKSGUPXSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(C#N)c1 ZINC001437121002 1006613274 /nfs/dbraw/zinc/61/32/74/1006613274.db2.gz IROOXGNKBOLOAA-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(C#N)c1 ZINC001437121002 1006613281 /nfs/dbraw/zinc/61/32/81/1006613281.db2.gz IROOXGNKBOLOAA-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001478142666 1017325832 /nfs/dbraw/zinc/32/58/32/1017325832.db2.gz MTLZKDNQJCXDRP-JKSUJKDBSA-N 2 1 322.453 0.494 20 30 DCEDMP C=CCOCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001506624459 1017418339 /nfs/dbraw/zinc/41/83/39/1017418339.db2.gz UOLHWDYHBUTOAX-SQWLQELKSA-N 2 1 309.454 0.966 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001506747929 1017502922 /nfs/dbraw/zinc/50/29/22/1017502922.db2.gz VFFMTPMMNBCVMV-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001506747929 1017502931 /nfs/dbraw/zinc/50/29/31/1017502931.db2.gz VFFMTPMMNBCVMV-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001506747929 1017502946 /nfs/dbraw/zinc/50/29/46/1017502946.db2.gz VFFMTPMMNBCVMV-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001506747929 1017502951 /nfs/dbraw/zinc/50/29/51/1017502951.db2.gz VFFMTPMMNBCVMV-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001479706476 1017667695 /nfs/dbraw/zinc/66/76/95/1017667695.db2.gz SVQISKKFJOYLJT-TUVASFSCSA-N 2 1 322.453 0.208 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001479706476 1017667730 /nfs/dbraw/zinc/66/77/30/1017667730.db2.gz SVQISKKFJOYLJT-TUVASFSCSA-N 2 1 322.453 0.208 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001479706476 1017667743 /nfs/dbraw/zinc/66/77/43/1017667743.db2.gz SVQISKKFJOYLJT-TUVASFSCSA-N 2 1 322.453 0.208 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001479706476 1017667749 /nfs/dbraw/zinc/66/77/49/1017667749.db2.gz SVQISKKFJOYLJT-TUVASFSCSA-N 2 1 322.453 0.208 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCOCC1 ZINC001497207509 1017969581 /nfs/dbraw/zinc/96/95/81/1017969581.db2.gz JFGCWXZEWUUKFL-RDJZCZTQSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCOCC1 ZINC001497207509 1017969601 /nfs/dbraw/zinc/96/96/01/1017969601.db2.gz JFGCWXZEWUUKFL-RDJZCZTQSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001494794328 1018035978 /nfs/dbraw/zinc/03/59/78/1018035978.db2.gz MTASUNNKUAYBPF-ZIAGYGMSSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001494794328 1018035983 /nfs/dbraw/zinc/03/59/83/1018035983.db2.gz MTASUNNKUAYBPF-ZIAGYGMSSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494794328 1018036000 /nfs/dbraw/zinc/03/60/00/1018036000.db2.gz MTASUNNKUAYBPF-ZIAGYGMSSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494794328 1018036016 /nfs/dbraw/zinc/03/60/16/1018036016.db2.gz MTASUNNKUAYBPF-ZIAGYGMSSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500401489 1018440601 /nfs/dbraw/zinc/44/06/01/1018440601.db2.gz FYDCRDCBUAQAGP-RDJZCZTQSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480721293 1018812758 /nfs/dbraw/zinc/81/27/58/1018812758.db2.gz IQXNMTHLMWYKNX-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480721293 1018812774 /nfs/dbraw/zinc/81/27/74/1018812774.db2.gz IQXNMTHLMWYKNX-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480721293 1018812792 /nfs/dbraw/zinc/81/27/92/1018812792.db2.gz IQXNMTHLMWYKNX-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480721293 1018812806 /nfs/dbraw/zinc/81/28/06/1018812806.db2.gz IQXNMTHLMWYKNX-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501365207 1019098682 /nfs/dbraw/zinc/09/86/82/1019098682.db2.gz XIZOIGWCNGWXTH-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501365207 1019098694 /nfs/dbraw/zinc/09/86/94/1019098694.db2.gz XIZOIGWCNGWXTH-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501365207 1019098705 /nfs/dbraw/zinc/09/87/05/1019098705.db2.gz XIZOIGWCNGWXTH-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001498499050 1019170507 /nfs/dbraw/zinc/17/05/07/1019170507.db2.gz WRJAOTOQBAUPNY-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496431331 1019307903 /nfs/dbraw/zinc/30/79/03/1019307903.db2.gz WEARAKSESQKARX-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001502080988 1019693506 /nfs/dbraw/zinc/69/35/06/1019693506.db2.gz IODNEFIAXVSJTE-OAHLLOKOSA-N 2 1 311.426 0.102 20 30 DCEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001494178899 1020050818 /nfs/dbraw/zinc/05/08/18/1020050818.db2.gz AQLZDFSHTDHBKE-CVEARBPZSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCCC[NH+]1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001494465459 1020228238 /nfs/dbraw/zinc/22/82/38/1020228238.db2.gz LKHQVDRRKRIJPP-UHFFFAOYSA-N 2 1 305.426 0.825 20 30 DCEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=[NH2+])NC3CC3)cc2)CC1 ZINC000264068035 530069793 /nfs/dbraw/zinc/06/97/93/530069793.db2.gz FPRJWDGCMORVQZ-UHFFFAOYSA-N 2 1 315.421 0.641 20 30 DCEDMP C[C@@H]1C[N@H+](CCC2CCN(CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000177484925 237215492 /nfs/dbraw/zinc/21/54/92/237215492.db2.gz PKEVWKJHGVGZBB-GASCZTMLSA-N 2 1 322.453 0.837 20 30 DCEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000177484925 237215505 /nfs/dbraw/zinc/21/55/05/237215505.db2.gz PKEVWKJHGVGZBB-GASCZTMLSA-N 2 1 322.453 0.837 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccccc1F ZINC000264134481 238192745 /nfs/dbraw/zinc/19/27/45/238192745.db2.gz UUYOLHPTHNRPNO-UHFFFAOYSA-N 2 1 324.400 0.831 20 30 DCEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598595235 397253379 /nfs/dbraw/zinc/25/33/79/397253379.db2.gz HFNSAOBPCHRIGM-HZPDHXFCSA-N 2 1 308.470 0.999 20 30 DCEDMP CN(CCC#N)C(=O)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000092797080 415541822 /nfs/dbraw/zinc/54/18/22/415541822.db2.gz DPQKOGJUCZVSRO-UHFFFAOYSA-N 2 1 310.442 0.527 20 30 DCEDMP CN(CCC#N)C(=O)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000092797080 415541826 /nfs/dbraw/zinc/54/18/26/415541826.db2.gz DPQKOGJUCZVSRO-UHFFFAOYSA-N 2 1 310.442 0.527 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000491299540 416593791 /nfs/dbraw/zinc/59/37/91/416593791.db2.gz ZVBADSUNMNJKRH-HUUCEWRRSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000491299540 416593796 /nfs/dbraw/zinc/59/37/96/416593796.db2.gz ZVBADSUNMNJKRH-HUUCEWRRSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000491299540 416593801 /nfs/dbraw/zinc/59/38/01/416593801.db2.gz ZVBADSUNMNJKRH-HUUCEWRRSA-N 2 1 310.442 0.038 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369398079 416769678 /nfs/dbraw/zinc/76/96/78/416769678.db2.gz LMHLGLRQAZAWQX-HZPDHXFCSA-N 2 1 308.470 0.777 20 30 DCEDMP C=CC[C@@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]1 ZINC000662766850 417897053 /nfs/dbraw/zinc/89/70/53/417897053.db2.gz NRSOKCVNLYKKDK-PBHICJAKSA-N 2 1 320.437 0.108 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567880587 1160515821 /nfs/dbraw/zinc/51/58/21/1160515821.db2.gz WBZXOEVDIXOFFT-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001569899905 1161304270 /nfs/dbraw/zinc/30/42/70/1161304270.db2.gz DMJTZJNOKKWARD-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001569899905 1161304277 /nfs/dbraw/zinc/30/42/77/1161304277.db2.gz DMJTZJNOKKWARD-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001569899905 1161304287 /nfs/dbraw/zinc/30/42/87/1161304287.db2.gz DMJTZJNOKKWARD-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001569899905 1161304294 /nfs/dbraw/zinc/30/42/94/1161304294.db2.gz DMJTZJNOKKWARD-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000267433909 533991807 /nfs/dbraw/zinc/99/18/07/533991807.db2.gz NIEGNRTXTJHXFC-ZDUSSCGKSA-N 2 1 321.425 0.676 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261843714 526371586 /nfs/dbraw/zinc/37/15/86/526371586.db2.gz WWVIKNNAUJGKRU-DZGCQCFKSA-N 2 1 320.441 0.321 20 30 DCEDMP CNC(=O)C(C)(C)CNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261691951 526413209 /nfs/dbraw/zinc/41/32/09/526413209.db2.gz FGRNAHKYCAUBCE-DGCLKSJQSA-N 2 1 309.458 0.406 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(C)=O)nc1 ZINC000278727049 529100258 /nfs/dbraw/zinc/10/02/58/529100258.db2.gz LCHUKZAOZHWRCI-AWEZNQCLSA-N 2 1 318.425 0.929 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001665023057 1174473495 /nfs/dbraw/zinc/47/34/95/1174473495.db2.gz GEPCIGNRQGSMRI-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCOC)CC1 ZINC001673958458 1175243417 /nfs/dbraw/zinc/24/34/17/1175243417.db2.gz BFZLGIIIKLSPJY-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001674088853 1175252446 /nfs/dbraw/zinc/25/24/46/1175252446.db2.gz YWFFOSXGHUJHSN-UHFFFAOYSA-N 2 1 304.394 0.158 20 30 DCEDMP C=CCOCC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001675360410 1175351542 /nfs/dbraw/zinc/35/15/42/1175351542.db2.gz YKYPAPWHMDEHIJ-GJZGRUSLSA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978403359 660533847 /nfs/dbraw/zinc/53/38/47/660533847.db2.gz SGXNZAHKQRUYKM-PHZGNYQRSA-N 2 1 301.434 0.932 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC000978482682 660544170 /nfs/dbraw/zinc/54/41/70/660544170.db2.gz JMWCKDIWJCDOIG-PHZGNYQRSA-N 2 1 321.384 0.808 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001027694171 660626608 /nfs/dbraw/zinc/62/66/08/660626608.db2.gz SGCMFHIDBCUHRP-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027890321 660889523 /nfs/dbraw/zinc/88/95/23/660889523.db2.gz WYLWRSCLFYPUTP-OAHLLOKOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](C)O)C2)CC1 ZINC000980479409 660947436 /nfs/dbraw/zinc/94/74/36/660947436.db2.gz VTGXJFCAXBFETH-ZBFHGGJFSA-N 2 1 307.438 0.245 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028093521 661152904 /nfs/dbraw/zinc/15/29/04/661152904.db2.gz MRKGKZFVFUGWGC-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093521 661152905 /nfs/dbraw/zinc/15/29/05/661152905.db2.gz MRKGKZFVFUGWGC-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001028093521 661152907 /nfs/dbraw/zinc/15/29/07/661152907.db2.gz MRKGKZFVFUGWGC-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981842179 661232223 /nfs/dbraw/zinc/23/22/23/661232223.db2.gz SORNQVKGHBZJCH-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981842179 661232224 /nfs/dbraw/zinc/23/22/24/661232224.db2.gz SORNQVKGHBZJCH-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981842179 661232225 /nfs/dbraw/zinc/23/22/25/661232225.db2.gz SORNQVKGHBZJCH-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981842179 661232226 /nfs/dbraw/zinc/23/22/26/661232226.db2.gz SORNQVKGHBZJCH-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673988 657549057 /nfs/dbraw/zinc/54/90/57/657549057.db2.gz MAULLAZGHIJBDZ-DLBZAZTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000971673988 657549061 /nfs/dbraw/zinc/54/90/61/657549061.db2.gz MAULLAZGHIJBDZ-DLBZAZTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673991 657549422 /nfs/dbraw/zinc/54/94/22/657549422.db2.gz MAULLAZGHIJBDZ-SJORKVTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000971673991 657549425 /nfs/dbraw/zinc/54/94/25/657549425.db2.gz MAULLAZGHIJBDZ-SJORKVTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972637793 658138592 /nfs/dbraw/zinc/13/85/92/658138592.db2.gz DZOICUMYIUUUAC-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972637793 658138595 /nfs/dbraw/zinc/13/85/95/658138595.db2.gz DZOICUMYIUUUAC-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972637793 658138598 /nfs/dbraw/zinc/13/85/98/658138598.db2.gz DZOICUMYIUUUAC-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972637793 658138600 /nfs/dbraw/zinc/13/86/00/658138600.db2.gz DZOICUMYIUUUAC-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC#C)C2)CC1 ZINC001023761649 658216148 /nfs/dbraw/zinc/21/61/48/658216148.db2.gz FZRQZNRNCZHTQW-INIZCTEOSA-N 2 1 301.434 0.793 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021693273 658240905 /nfs/dbraw/zinc/24/09/05/658240905.db2.gz ZGBNSCRSNTZCAC-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021693273 658240911 /nfs/dbraw/zinc/24/09/11/658240911.db2.gz ZGBNSCRSNTZCAC-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP Cc1cccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000279974436 658303923 /nfs/dbraw/zinc/30/39/23/658303923.db2.gz JZAGYABMBQWQLX-UHFFFAOYSA-N 2 1 305.426 0.559 20 30 DCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970170220 658687744 /nfs/dbraw/zinc/68/77/44/658687744.db2.gz QJAJVTIODZKTIE-QBPRILJRSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999351172 665634158 /nfs/dbraw/zinc/63/41/58/665634158.db2.gz DDERXRXLRFKJRI-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001026378459 659260312 /nfs/dbraw/zinc/26/03/12/659260312.db2.gz XOPBIYNRYQNTRB-ARFHVFGLSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724859 659642812 /nfs/dbraw/zinc/64/28/12/659642812.db2.gz QEUYZIMZVNWACX-KFWWJZLASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724859 659642814 /nfs/dbraw/zinc/64/28/14/659642814.db2.gz QEUYZIMZVNWACX-KFWWJZLASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724859 659642818 /nfs/dbraw/zinc/64/28/18/659642818.db2.gz QEUYZIMZVNWACX-KFWWJZLASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724859 659642824 /nfs/dbraw/zinc/64/28/24/659642824.db2.gz QEUYZIMZVNWACX-KFWWJZLASA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001028643733 661716130 /nfs/dbraw/zinc/71/61/30/661716130.db2.gz RJTNCAZZLPSKNE-CABCVRRESA-N 2 1 300.406 0.907 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859659 661854306 /nfs/dbraw/zinc/85/43/06/661854306.db2.gz FFIHHLDSOXTZDK-OAHLLOKOSA-N 2 1 317.437 0.520 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)COC)C2)CC1 ZINC001029002872 661929921 /nfs/dbraw/zinc/92/99/21/661929921.db2.gz CWKIAJWPCGSPMF-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000925317605 662918084 /nfs/dbraw/zinc/91/80/84/662918084.db2.gz REWCVUHQXJDPTI-HUUCEWRRSA-N 2 1 318.421 0.490 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000925317605 662918086 /nfs/dbraw/zinc/91/80/86/662918086.db2.gz REWCVUHQXJDPTI-HUUCEWRRSA-N 2 1 318.421 0.490 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000905570861 663565205 /nfs/dbraw/zinc/56/52/05/663565205.db2.gz LTOUDVAQHQJEGK-OAHLLOKOSA-N 2 1 308.495 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000905570861 663565206 /nfs/dbraw/zinc/56/52/06/663565206.db2.gz LTOUDVAQHQJEGK-OAHLLOKOSA-N 2 1 308.495 0.890 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000908438027 663755519 /nfs/dbraw/zinc/75/55/19/663755519.db2.gz XRAHAJNMKQJEMF-HNNXBMFYSA-N 2 1 323.437 0.333 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000908438027 663755520 /nfs/dbraw/zinc/75/55/20/663755520.db2.gz XRAHAJNMKQJEMF-HNNXBMFYSA-N 2 1 323.437 0.333 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCC[C@H](C(=O)OCC)C1 ZINC000908438027 663755521 /nfs/dbraw/zinc/75/55/21/663755521.db2.gz XRAHAJNMKQJEMF-HNNXBMFYSA-N 2 1 323.437 0.333 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+]1CCC[C@H](C(=O)OCC)C1 ZINC000908438027 663755523 /nfs/dbraw/zinc/75/55/23/663755523.db2.gz XRAHAJNMKQJEMF-HNNXBMFYSA-N 2 1 323.437 0.333 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001031741359 665397196 /nfs/dbraw/zinc/39/71/96/665397196.db2.gz XIOPSSILKYTGQO-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001031741359 665397198 /nfs/dbraw/zinc/39/71/98/665397198.db2.gz XIOPSSILKYTGQO-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)OC)CC1 ZINC001001490824 666060897 /nfs/dbraw/zinc/06/08/97/666060897.db2.gz DWDPXGMSQGOVEM-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)OC)CC1 ZINC001001490824 666060899 /nfs/dbraw/zinc/06/08/99/666060899.db2.gz DWDPXGMSQGOVEM-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001032837135 666289142 /nfs/dbraw/zinc/28/91/42/666289142.db2.gz IEYDOZTVDGGHCP-XHSDSOJGSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922869740 666542406 /nfs/dbraw/zinc/54/24/06/666542406.db2.gz ACWFHUFBNHNQGN-KRWDZBQOSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922869740 666542409 /nfs/dbraw/zinc/54/24/09/666542409.db2.gz ACWFHUFBNHNQGN-KRWDZBQOSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779118 666650972 /nfs/dbraw/zinc/65/09/72/666650972.db2.gz GWIWBQAKACXPAV-WCXIOVBPSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779118 666650974 /nfs/dbraw/zinc/65/09/74/666650974.db2.gz GWIWBQAKACXPAV-WCXIOVBPSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779118 666650976 /nfs/dbraw/zinc/65/09/76/666650976.db2.gz GWIWBQAKACXPAV-WCXIOVBPSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995895021 666717311 /nfs/dbraw/zinc/71/73/11/666717311.db2.gz LNONQEAGAXILGD-GJZGRUSLSA-N 2 1 317.437 0.273 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997148874 667172583 /nfs/dbraw/zinc/17/25/83/667172583.db2.gz KRKFYJCXYBESTC-UXLLHSPISA-N 2 1 321.465 0.682 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997148874 667172585 /nfs/dbraw/zinc/17/25/85/667172585.db2.gz KRKFYJCXYBESTC-UXLLHSPISA-N 2 1 321.465 0.682 20 30 DCEDMP C[C@H]1CCC[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884188214 667493550 /nfs/dbraw/zinc/49/35/50/667493550.db2.gz BSLXHSTXBRTDRS-BOLLXYOYSA-N 2 1 304.438 0.974 20 30 DCEDMP C#CCN(C(=O)[C@@H](C)[NH+]1CCSCC1)C1CC[NH+](C)CC1 ZINC000886580160 667778765 /nfs/dbraw/zinc/77/87/65/667778765.db2.gz XSMPBITXRVCRNF-CQSZACIVSA-N 2 1 309.479 0.980 20 30 DCEDMP N#Cc1ccc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cn1 ZINC000872146201 667868430 /nfs/dbraw/zinc/86/84/30/667868430.db2.gz HXCOQSXUEGHORJ-MRXNPFEDSA-N 2 1 313.405 0.596 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876783573 668510713 /nfs/dbraw/zinc/51/07/13/668510713.db2.gz HFZXCHVYBOOQDI-ZIAGYGMSSA-N 2 1 314.861 0.695 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000948070568 670053651 /nfs/dbraw/zinc/05/36/51/670053651.db2.gz QRJAEHBRBZAGKG-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC000949061285 670250192 /nfs/dbraw/zinc/25/01/92/670250192.db2.gz XQWAQMPVGUUSGK-OAHLLOKOSA-N 2 1 323.437 0.196 20 30 DCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC000949061285 670250194 /nfs/dbraw/zinc/25/01/94/670250194.db2.gz XQWAQMPVGUUSGK-OAHLLOKOSA-N 2 1 323.437 0.196 20 30 DCEDMP C#CCN1CCOC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000949472621 670349615 /nfs/dbraw/zinc/34/96/15/670349615.db2.gz JOIQYFRGCGBYFB-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001020250689 693745637 /nfs/dbraw/zinc/74/56/37/693745637.db2.gz LGQKDLILRSHXFL-VQHPVUNQSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001020250689 693745640 /nfs/dbraw/zinc/74/56/40/693745640.db2.gz LGQKDLILRSHXFL-VQHPVUNQSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001020251524 693746548 /nfs/dbraw/zinc/74/65/48/693746548.db2.gz RAHXGSUSOISPKE-VGWMRTNUSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001020251524 693746552 /nfs/dbraw/zinc/74/65/52/693746552.db2.gz RAHXGSUSOISPKE-VGWMRTNUSA-N 2 1 305.422 0.357 20 30 DCEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000088201440 685092054 /nfs/dbraw/zinc/09/20/54/685092054.db2.gz RCQIFBNZPZHKJS-LBPRGKRZSA-N 2 1 319.457 0.388 20 30 DCEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000088201440 685092069 /nfs/dbraw/zinc/09/20/69/685092069.db2.gz RCQIFBNZPZHKJS-LBPRGKRZSA-N 2 1 319.457 0.388 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304675302 685210803 /nfs/dbraw/zinc/21/08/03/685210803.db2.gz CWHUMUPMMUSYBH-MRXNPFEDSA-N 3 1 324.517 0.401 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000304760490 685211842 /nfs/dbraw/zinc/21/18/42/685211842.db2.gz SLYBHDBQQWQNFZ-HNNXBMFYSA-N 2 1 311.474 0.487 20 30 DCEDMP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304760490 685211844 /nfs/dbraw/zinc/21/18/44/685211844.db2.gz SLYBHDBQQWQNFZ-HNNXBMFYSA-N 3 1 311.474 0.487 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304760490 685211849 /nfs/dbraw/zinc/21/18/49/685211849.db2.gz SLYBHDBQQWQNFZ-HNNXBMFYSA-N 3 1 311.474 0.487 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CC ZINC001037940961 693971477 /nfs/dbraw/zinc/97/14/77/693971477.db2.gz NWOVNBUUVZKLEB-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000958118004 687359136 /nfs/dbraw/zinc/35/91/36/687359136.db2.gz YAFJZWYHZMURFE-UONOGXRCSA-N 2 1 321.446 0.465 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222510 687454627 /nfs/dbraw/zinc/45/46/27/687454627.db2.gz FANAXUIAQPVFHD-GOEBONIOSA-N 2 1 312.373 0.380 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344728 687564611 /nfs/dbraw/zinc/56/46/11/687564611.db2.gz JLFLGRMVMXCMMX-KBPBESRZSA-N 2 1 307.394 0.550 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958580321 687767233 /nfs/dbraw/zinc/76/72/33/687767233.db2.gz FJTCNNZYMBDZMA-SJORKVTESA-N 2 1 321.465 0.703 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C(C)C)C[C@@H]2O)CC1 ZINC000958722876 687875745 /nfs/dbraw/zinc/87/57/45/687875745.db2.gz ARMGPMYGEYUSMZ-HOTGVXAUSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960530336 688405759 /nfs/dbraw/zinc/40/57/59/688405759.db2.gz XZCPOARZRCWJSX-ZSHCYNCHSA-N 2 1 301.434 0.932 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038810597 694198833 /nfs/dbraw/zinc/19/88/33/694198833.db2.gz PYQBCPGXSARJMW-OAHLLOKOSA-N 2 1 305.426 0.825 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000962672449 688965193 /nfs/dbraw/zinc/96/51/93/688965193.db2.gz YAHOBYCOCPCXNI-XUWVNRHRSA-N 2 1 307.438 0.720 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000962672449 688965195 /nfs/dbraw/zinc/96/51/95/688965195.db2.gz YAHOBYCOCPCXNI-XUWVNRHRSA-N 2 1 307.438 0.720 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962672449 688965198 /nfs/dbraw/zinc/96/51/98/688965198.db2.gz YAHOBYCOCPCXNI-XUWVNRHRSA-N 2 1 307.438 0.720 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962672449 688965200 /nfs/dbraw/zinc/96/52/00/688965200.db2.gz YAHOBYCOCPCXNI-XUWVNRHRSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039452313 694366961 /nfs/dbraw/zinc/36/69/61/694366961.db2.gz QAJBQWDARCEDEG-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039452313 694366965 /nfs/dbraw/zinc/36/69/65/694366965.db2.gz QAJBQWDARCEDEG-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001424691 690544619 /nfs/dbraw/zinc/54/46/19/690544619.db2.gz KVBSCARVVXIBMV-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457380 692023974 /nfs/dbraw/zinc/02/39/74/692023974.db2.gz GYHDOCLXBMVJJU-AWEZNQCLSA-N 2 1 305.426 0.825 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072741085 694659254 /nfs/dbraw/zinc/65/92/54/694659254.db2.gz WYIKTAFALROYGX-MRXNPFEDSA-N 2 1 301.434 0.886 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746494 694776463 /nfs/dbraw/zinc/77/64/63/694776463.db2.gz ZMVYHGDTWTVSKE-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001073746494 694776465 /nfs/dbraw/zinc/77/64/65/694776465.db2.gz ZMVYHGDTWTVSKE-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073746494 694776466 /nfs/dbraw/zinc/77/64/66/694776466.db2.gz ZMVYHGDTWTVSKE-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001073898957 694798593 /nfs/dbraw/zinc/79/85/93/694798593.db2.gz HNJHFJAYWYFRKT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073898957 694798594 /nfs/dbraw/zinc/79/85/94/694798594.db2.gz HNJHFJAYWYFRKT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073898957 694798596 /nfs/dbraw/zinc/79/85/96/694798596.db2.gz HNJHFJAYWYFRKT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073898957 694798597 /nfs/dbraw/zinc/79/85/97/694798597.db2.gz HNJHFJAYWYFRKT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC)CCCO2)CC1 ZINC001073899301 694798647 /nfs/dbraw/zinc/79/86/47/694798647.db2.gz QAOKGASAPXYHET-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070458 694996951 /nfs/dbraw/zinc/99/69/51/694996951.db2.gz KHRCPBJLQJFAHL-HNCZQISISA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070458 694996952 /nfs/dbraw/zinc/99/69/52/694996952.db2.gz KHRCPBJLQJFAHL-HNCZQISISA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070458 694996953 /nfs/dbraw/zinc/99/69/53/694996953.db2.gz KHRCPBJLQJFAHL-HNCZQISISA-N 2 1 315.417 0.016 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076593916 695031217 /nfs/dbraw/zinc/03/12/17/695031217.db2.gz CXLXXUMOULAEOP-ARFHVFGLSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076593916 695031218 /nfs/dbraw/zinc/03/12/18/695031218.db2.gz CXLXXUMOULAEOP-ARFHVFGLSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076593916 695031219 /nfs/dbraw/zinc/03/12/19/695031219.db2.gz CXLXXUMOULAEOP-ARFHVFGLSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076593916 695031220 /nfs/dbraw/zinc/03/12/20/695031220.db2.gz CXLXXUMOULAEOP-ARFHVFGLSA-N 2 1 305.422 0.263 20 30 DCEDMP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001570536508 1162539819 /nfs/dbraw/zinc/53/98/19/1162539819.db2.gz POPWRBOZPKEXMU-MRXNPFEDSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001570536508 1162539825 /nfs/dbraw/zinc/53/98/25/1162539825.db2.gz POPWRBOZPKEXMU-MRXNPFEDSA-N 2 1 318.421 0.764 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cnon2)CC1 ZINC001570654073 1162577038 /nfs/dbraw/zinc/57/70/38/1162577038.db2.gz ZRAVQIRRTAHHFV-QWHCGFSZSA-N 2 1 319.409 0.398 20 30 DCEDMP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001570861468 1162636205 /nfs/dbraw/zinc/63/62/05/1162636205.db2.gz BKAFHQQSYRDHMA-CYBMUJFWSA-N 2 1 306.410 0.831 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001570940162 1162652835 /nfs/dbraw/zinc/65/28/35/1162652835.db2.gz ULNMBRRWLVBSTJ-PHZGNYQRSA-N 2 1 316.405 0.135 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001570940162 1162652839 /nfs/dbraw/zinc/65/28/39/1162652839.db2.gz ULNMBRRWLVBSTJ-PHZGNYQRSA-N 2 1 316.405 0.135 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001571117618 1162674996 /nfs/dbraw/zinc/67/49/96/1162674996.db2.gz GNWVQWKWHCYNKT-BRWVUGGUSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001571605175 1162853590 /nfs/dbraw/zinc/85/35/90/1162853590.db2.gz NPFFWPOUMCPMEZ-GOEBONIOSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001571605175 1162853602 /nfs/dbraw/zinc/85/36/02/1162853602.db2.gz NPFFWPOUMCPMEZ-GOEBONIOSA-N 2 1 318.421 0.138 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001691794622 1157396956 /nfs/dbraw/zinc/39/69/56/1157396956.db2.gz JNZALESVDOJGPL-RBSFLKMASA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001672503305 1157957364 /nfs/dbraw/zinc/95/73/64/1157957364.db2.gz JNAZRKFGDBPZKB-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001672503305 1157957368 /nfs/dbraw/zinc/95/73/68/1157957368.db2.gz JNAZRKFGDBPZKB-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001672503305 1157957371 /nfs/dbraw/zinc/95/73/71/1157957371.db2.gz JNAZRKFGDBPZKB-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001672686411 1158726032 /nfs/dbraw/zinc/72/60/32/1158726032.db2.gz POWVDWXKUHAYJO-MRXNPFEDSA-N 2 1 309.454 0.683 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001566648470 1159844486 /nfs/dbraw/zinc/84/44/86/1159844486.db2.gz MFXGXJHNVXVLHE-MRXNPFEDSA-N 2 1 308.470 0.781 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001565866593 1159916218 /nfs/dbraw/zinc/91/62/18/1159916218.db2.gz OVUAUJWQYDUKIZ-QAETUUGQSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001565866593 1159916231 /nfs/dbraw/zinc/91/62/31/1159916231.db2.gz OVUAUJWQYDUKIZ-QAETUUGQSA-N 2 1 321.465 0.729 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001567285562 1160296447 /nfs/dbraw/zinc/29/64/47/1160296447.db2.gz KOYIIPNWMASSSC-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001567285562 1160296448 /nfs/dbraw/zinc/29/64/48/1160296448.db2.gz KOYIIPNWMASSSC-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[NH+](C)C2CCC2)C1=O ZINC001567285562 1160296450 /nfs/dbraw/zinc/29/64/50/1160296450.db2.gz KOYIIPNWMASSSC-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[NH+](C)C2CCC2)C1=O ZINC001567285562 1160296451 /nfs/dbraw/zinc/29/64/51/1160296451.db2.gz KOYIIPNWMASSSC-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2cnn(C)c2)CC1 ZINC001567324057 1160313138 /nfs/dbraw/zinc/31/31/38/1160313138.db2.gz BQHOSZIVVOGRHE-UHFFFAOYSA-N 2 1 317.437 0.313 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2cnn(C)c2)CC1 ZINC001567324057 1160313146 /nfs/dbraw/zinc/31/31/46/1160313146.db2.gz BQHOSZIVVOGRHE-UHFFFAOYSA-N 2 1 317.437 0.313 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567402697 1160351231 /nfs/dbraw/zinc/35/12/31/1160351231.db2.gz GRSLUTMNRUEOJN-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567402697 1160351239 /nfs/dbraw/zinc/35/12/39/1160351239.db2.gz GRSLUTMNRUEOJN-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567402697 1160351245 /nfs/dbraw/zinc/35/12/45/1160351245.db2.gz GRSLUTMNRUEOJN-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567494717 1160394208 /nfs/dbraw/zinc/39/42/08/1160394208.db2.gz MEGFQCNXUZZUFV-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001567831499 1160494411 /nfs/dbraw/zinc/49/44/11/1160494411.db2.gz WEFKLAHRHXFOFA-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001567831499 1160494415 /nfs/dbraw/zinc/49/44/15/1160494415.db2.gz WEFKLAHRHXFOFA-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567880587 1160515815 /nfs/dbraw/zinc/51/58/15/1160515815.db2.gz WBZXOEVDIXOFFT-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001568506164 1160662585 /nfs/dbraw/zinc/66/25/85/1160662585.db2.gz KVSURKWLKBZGBK-HNNXBMFYSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001568506164 1160662591 /nfs/dbraw/zinc/66/25/91/1160662591.db2.gz KVSURKWLKBZGBK-HNNXBMFYSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C)C1=O ZINC001568506164 1160662601 /nfs/dbraw/zinc/66/26/01/1160662601.db2.gz KVSURKWLKBZGBK-HNNXBMFYSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C)C1=O ZINC001568506164 1160662605 /nfs/dbraw/zinc/66/26/05/1160662605.db2.gz KVSURKWLKBZGBK-HNNXBMFYSA-N 2 1 324.469 0.504 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCO1 ZINC001568997764 1160913373 /nfs/dbraw/zinc/91/33/73/1160913373.db2.gz IZFRMHDZNYVAFX-PMPSAXMXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCO1 ZINC001568997764 1160913379 /nfs/dbraw/zinc/91/33/79/1160913379.db2.gz IZFRMHDZNYVAFX-PMPSAXMXSA-N 2 1 307.438 0.747 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001569748787 1161220468 /nfs/dbraw/zinc/22/04/68/1161220468.db2.gz IWGYJVZTSIMOGR-ZMSDIMECSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001569748787 1161220474 /nfs/dbraw/zinc/22/04/74/1161220474.db2.gz IWGYJVZTSIMOGR-ZMSDIMECSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001569748787 1161220479 /nfs/dbraw/zinc/22/04/79/1161220479.db2.gz IWGYJVZTSIMOGR-ZMSDIMECSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569749236 1161221974 /nfs/dbraw/zinc/22/19/74/1161221974.db2.gz RFLMGDRPOSGUDS-AEFFLSMTSA-N 2 1 321.465 0.847 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001569751042 1161222670 /nfs/dbraw/zinc/22/26/70/1161222670.db2.gz JMHAHJLTDOYGLG-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001569751042 1161222677 /nfs/dbraw/zinc/22/26/77/1161222677.db2.gz JMHAHJLTDOYGLG-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001569751042 1161222681 /nfs/dbraw/zinc/22/26/81/1161222681.db2.gz JMHAHJLTDOYGLG-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001569751045 1161222911 /nfs/dbraw/zinc/22/29/11/1161222911.db2.gz JMHAHJLTDOYGLG-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001569751045 1161222913 /nfs/dbraw/zinc/22/29/13/1161222913.db2.gz JMHAHJLTDOYGLG-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001569751045 1161222915 /nfs/dbraw/zinc/22/29/15/1161222915.db2.gz JMHAHJLTDOYGLG-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001569851225 1161284951 /nfs/dbraw/zinc/28/49/51/1161284951.db2.gz RUVMQQRGRPAGLI-CVEARBPZSA-N 2 1 309.454 0.662 20 30 DCEDMP CC#CCN1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001569899905 1161304268 /nfs/dbraw/zinc/30/42/68/1161304268.db2.gz DMJTZJNOKKWARD-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001570167247 1161468240 /nfs/dbraw/zinc/46/82/40/1161468240.db2.gz LUWZJENKKISGGB-INIZCTEOSA-N 2 1 321.469 0.460 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001570167247 1161468254 /nfs/dbraw/zinc/46/82/54/1161468254.db2.gz LUWZJENKKISGGB-INIZCTEOSA-N 2 1 321.469 0.460 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001570216807 1161497832 /nfs/dbraw/zinc/49/78/32/1161497832.db2.gz KRPZRLLCJXZHRS-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574830291 1163762301 /nfs/dbraw/zinc/76/23/01/1163762301.db2.gz DVCFLRKCBSVGQR-HOCLYGCPSA-N 2 1 319.453 0.936 20 30 DCEDMP C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001574890014 1163787338 /nfs/dbraw/zinc/78/73/38/1163787338.db2.gz VZEPNEMXTBEIDS-SOUVJXGZSA-N 2 1 323.437 0.684 20 30 DCEDMP C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001574890014 1163787340 /nfs/dbraw/zinc/78/73/40/1163787340.db2.gz VZEPNEMXTBEIDS-SOUVJXGZSA-N 2 1 323.437 0.684 20 30 DCEDMP C[N@H+](CCOCC[NH3+])[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001578476939 1165030114 /nfs/dbraw/zinc/03/01/14/1165030114.db2.gz CKBWQDLCFOZDRE-MRXNPFEDSA-N 2 1 316.405 0.961 20 30 DCEDMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001578476939 1165030117 /nfs/dbraw/zinc/03/01/17/1165030117.db2.gz CKBWQDLCFOZDRE-MRXNPFEDSA-N 2 1 316.405 0.961 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001660922023 1174070118 /nfs/dbraw/zinc/07/01/18/1174070118.db2.gz XBLJXHGSQXREBS-QGZVFWFLSA-N 2 1 320.481 0.616 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001662872418 1174249100 /nfs/dbraw/zinc/24/91/00/1174249100.db2.gz MQDHGGYZBAGHRZ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001662872418 1174249103 /nfs/dbraw/zinc/24/91/03/1174249103.db2.gz MQDHGGYZBAGHRZ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001662872418 1174249106 /nfs/dbraw/zinc/24/91/06/1174249106.db2.gz MQDHGGYZBAGHRZ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001663620971 1174334879 /nfs/dbraw/zinc/33/48/79/1174334879.db2.gz SUPQUWDUJOGOCM-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001663620971 1174334882 /nfs/dbraw/zinc/33/48/82/1174334882.db2.gz SUPQUWDUJOGOCM-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001663620971 1174334887 /nfs/dbraw/zinc/33/48/87/1174334887.db2.gz SUPQUWDUJOGOCM-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001664036129 1174387095 /nfs/dbraw/zinc/38/70/95/1174387095.db2.gz CQZRBCCPHNAANQ-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CCN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001665023057 1174473481 /nfs/dbraw/zinc/47/34/81/1174473481.db2.gz GEPCIGNRQGSMRI-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001665023057 1174473484 /nfs/dbraw/zinc/47/34/84/1174473484.db2.gz GEPCIGNRQGSMRI-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001665023057 1174473488 /nfs/dbraw/zinc/47/34/88/1174473488.db2.gz GEPCIGNRQGSMRI-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001665023057 1174473492 /nfs/dbraw/zinc/47/34/92/1174473492.db2.gz GEPCIGNRQGSMRI-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001665363190 1174509953 /nfs/dbraw/zinc/50/99/53/1174509953.db2.gz UZPQGWGTPQMUIH-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001665363190 1174509960 /nfs/dbraw/zinc/50/99/60/1174509960.db2.gz UZPQGWGTPQMUIH-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCOCC1 ZINC001671934925 1175045498 /nfs/dbraw/zinc/04/54/98/1175045498.db2.gz OLXHVSMNXODZCF-CHWSQXEVSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001671934880 1175045857 /nfs/dbraw/zinc/04/58/57/1175045857.db2.gz MGSZHEFTGLIEJI-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001672034033 1175066014 /nfs/dbraw/zinc/06/60/14/1175066014.db2.gz AIKSUVLMCMXFMI-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001672034033 1175066019 /nfs/dbraw/zinc/06/60/19/1175066019.db2.gz AIKSUVLMCMXFMI-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CCC)C2)CC1 ZINC001672043999 1175070750 /nfs/dbraw/zinc/07/07/50/1175070750.db2.gz FJHHCQSYABMJLE-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001673802520 1175232181 /nfs/dbraw/zinc/23/21/81/1175232181.db2.gz JMYJCURHFMJQGC-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001673802520 1175232186 /nfs/dbraw/zinc/23/21/86/1175232186.db2.gz JMYJCURHFMJQGC-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCOC)CC1 ZINC001673958458 1175243414 /nfs/dbraw/zinc/24/34/14/1175243414.db2.gz BFZLGIIIKLSPJY-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001674029027 1175245960 /nfs/dbraw/zinc/24/59/60/1175245960.db2.gz OFAOKTYNQPRGKT-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001674029027 1175245962 /nfs/dbraw/zinc/24/59/62/1175245962.db2.gz OFAOKTYNQPRGKT-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001674199649 1175263679 /nfs/dbraw/zinc/26/36/79/1175263679.db2.gz NELWPPVCKGEBAP-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001674199649 1175263681 /nfs/dbraw/zinc/26/36/81/1175263681.db2.gz NELWPPVCKGEBAP-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001674496387 1175279762 /nfs/dbraw/zinc/27/97/62/1175279762.db2.gz XNMFIXGECPXHNV-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001674496387 1175279768 /nfs/dbraw/zinc/27/97/68/1175279768.db2.gz XNMFIXGECPXHNV-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674496387 1175279772 /nfs/dbraw/zinc/27/97/72/1175279772.db2.gz XNMFIXGECPXHNV-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001674496387 1175279777 /nfs/dbraw/zinc/27/97/77/1175279777.db2.gz XNMFIXGECPXHNV-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001677115911 1175529373 /nfs/dbraw/zinc/52/93/73/1175529373.db2.gz ATXVMVMXWAYLED-CJNGLKHVSA-N 2 1 315.433 0.794 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001677399848 1175562714 /nfs/dbraw/zinc/56/27/14/1175562714.db2.gz WOAUKUCAGGLPGG-XSCHDIRWSA-N 2 1 322.453 0.208 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001688896278 1176649807 /nfs/dbraw/zinc/64/98/07/1176649807.db2.gz ZSMINAJEKJRNDD-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001688896278 1176649809 /nfs/dbraw/zinc/64/98/09/1176649809.db2.gz ZSMINAJEKJRNDD-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001690076120 1177162893 /nfs/dbraw/zinc/16/28/93/1177162893.db2.gz CZDOGRPKPIRTNV-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001690076120 1177162897 /nfs/dbraw/zinc/16/28/97/1177162897.db2.gz CZDOGRPKPIRTNV-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001690336686 1177216526 /nfs/dbraw/zinc/21/65/26/1177216526.db2.gz OHTFURNHDDTEQI-QLFBSQMISA-N 2 1 322.453 0.398 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001690628450 1177286496 /nfs/dbraw/zinc/28/64/96/1177286496.db2.gz NBWPBLJADJNLSQ-CVEARBPZSA-N 2 1 309.454 0.993 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001690822665 1177333644 /nfs/dbraw/zinc/33/36/44/1177333644.db2.gz KOHYRIKQCUYJJG-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001690822665 1177333649 /nfs/dbraw/zinc/33/36/49/1177333649.db2.gz KOHYRIKQCUYJJG-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001690822665 1177333654 /nfs/dbraw/zinc/33/36/54/1177333654.db2.gz KOHYRIKQCUYJJG-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692238253 1177455161 /nfs/dbraw/zinc/45/51/61/1177455161.db2.gz SZVIDPTYGJQLCZ-INIZCTEOSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692238253 1177455166 /nfs/dbraw/zinc/45/51/66/1177455166.db2.gz SZVIDPTYGJQLCZ-INIZCTEOSA-N 2 1 318.421 0.500 20 30 DCEDMP C=CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699442011 1178139451 /nfs/dbraw/zinc/13/94/51/1178139451.db2.gz NQWJMEDWCMNBLD-GOEBONIOSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001699474049 1178154682 /nfs/dbraw/zinc/15/46/82/1178154682.db2.gz HYVUCDIQFFMPRV-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001699654664 1178241075 /nfs/dbraw/zinc/24/10/75/1178241075.db2.gz CCBNDESYYIROAB-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001699898492 1178348656 /nfs/dbraw/zinc/34/86/56/1178348656.db2.gz OBYOFCJSZIEWRS-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001699898492 1178348665 /nfs/dbraw/zinc/34/86/65/1178348665.db2.gz OBYOFCJSZIEWRS-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001699898492 1178348678 /nfs/dbraw/zinc/34/86/78/1178348678.db2.gz OBYOFCJSZIEWRS-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001699923881 1178383304 /nfs/dbraw/zinc/38/33/04/1178383304.db2.gz RWJWBGXUIPAXGM-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001699989977 1178409325 /nfs/dbraw/zinc/40/93/25/1178409325.db2.gz RVFBLXAKQHUJAV-KFWWJZLASA-N 2 1 322.453 0.019 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001699998569 1178416188 /nfs/dbraw/zinc/41/61/88/1178416188.db2.gz JBVRMGIMRVEBCC-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001699998569 1178416193 /nfs/dbraw/zinc/41/61/93/1178416193.db2.gz JBVRMGIMRVEBCC-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001699998569 1178416196 /nfs/dbraw/zinc/41/61/96/1178416196.db2.gz JBVRMGIMRVEBCC-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001699998569 1178416200 /nfs/dbraw/zinc/41/62/00/1178416200.db2.gz JBVRMGIMRVEBCC-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001700004014 1178424340 /nfs/dbraw/zinc/42/43/40/1178424340.db2.gz NOPJBQINNFTLPG-NVXWUHKLSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001700004014 1178424342 /nfs/dbraw/zinc/42/43/42/1178424342.db2.gz NOPJBQINNFTLPG-NVXWUHKLSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001700004016 1178424907 /nfs/dbraw/zinc/42/49/07/1178424907.db2.gz NOPJBQINNFTLPG-WBVHZDCISA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001700004016 1178424910 /nfs/dbraw/zinc/42/49/10/1178424910.db2.gz NOPJBQINNFTLPG-WBVHZDCISA-N 2 1 309.454 0.683 20 30 DCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001700005361 1178425228 /nfs/dbraw/zinc/42/52/28/1178425228.db2.gz KNGQTWJTKWWEKT-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001700005361 1178425232 /nfs/dbraw/zinc/42/52/32/1178425232.db2.gz KNGQTWJTKWWEKT-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCOCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001700089080 1178474398 /nfs/dbraw/zinc/47/43/98/1178474398.db2.gz TYVSMUJKXXYZES-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001700278158 1178564706 /nfs/dbraw/zinc/56/47/06/1178564706.db2.gz NVNMUPZZHXVESV-KGLIPLIRSA-N 2 1 310.442 0.065 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001700566305 1178660045 /nfs/dbraw/zinc/66/00/45/1178660045.db2.gz IMFIOCYJDWRVKR-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001700566305 1178660047 /nfs/dbraw/zinc/66/00/47/1178660047.db2.gz IMFIOCYJDWRVKR-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001700566305 1178660051 /nfs/dbraw/zinc/66/00/51/1178660051.db2.gz IMFIOCYJDWRVKR-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001700566305 1178660054 /nfs/dbraw/zinc/66/00/54/1178660054.db2.gz IMFIOCYJDWRVKR-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001700988609 1178862837 /nfs/dbraw/zinc/86/28/37/1178862837.db2.gz GGTZUSBFONGANV-HNNXBMFYSA-N 2 1 320.437 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC)[C@H](OCC)C1 ZINC001707139057 1180421843 /nfs/dbraw/zinc/42/18/43/1180421843.db2.gz RYPYJDODSQCJSU-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC)[C@H](OCC)C1 ZINC001707139057 1180421847 /nfs/dbraw/zinc/42/18/47/1180421847.db2.gz RYPYJDODSQCJSU-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001707257600 1180450023 /nfs/dbraw/zinc/45/00/23/1180450023.db2.gz UFSLNDNTDSAPMO-CVEARBPZSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001707257600 1180450027 /nfs/dbraw/zinc/45/00/27/1180450027.db2.gz UFSLNDNTDSAPMO-CVEARBPZSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001707266891 1180453214 /nfs/dbraw/zinc/45/32/14/1180453214.db2.gz RJNKSOJBWXMFHR-XHSDSOJGSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCC)CC1 ZINC001713074962 1180667982 /nfs/dbraw/zinc/66/79/82/1180667982.db2.gz NVBMLZHAAQHEAT-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCC)CC1 ZINC001713074962 1180667987 /nfs/dbraw/zinc/66/79/87/1180667987.db2.gz NVBMLZHAAQHEAT-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001713083918 1180675423 /nfs/dbraw/zinc/67/54/23/1180675423.db2.gz ASGZUTYMCPTFCQ-UONOGXRCSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001713083918 1180675426 /nfs/dbraw/zinc/67/54/26/1180675426.db2.gz ASGZUTYMCPTFCQ-UONOGXRCSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713083918 1180675431 /nfs/dbraw/zinc/67/54/31/1180675431.db2.gz ASGZUTYMCPTFCQ-UONOGXRCSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001713083918 1180675434 /nfs/dbraw/zinc/67/54/34/1180675434.db2.gz ASGZUTYMCPTFCQ-UONOGXRCSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001713098885 1180681521 /nfs/dbraw/zinc/68/15/21/1180681521.db2.gz XPQIMFWQHIWHTQ-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001713145406 1180696012 /nfs/dbraw/zinc/69/60/12/1180696012.db2.gz YLRQIBDPUTXWJG-IYBDPMFKSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001713145406 1180696014 /nfs/dbraw/zinc/69/60/14/1180696014.db2.gz YLRQIBDPUTXWJG-IYBDPMFKSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713495767 1180870705 /nfs/dbraw/zinc/87/07/05/1180870705.db2.gz ACNOUPUBBXQJLP-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713495767 1180870714 /nfs/dbraw/zinc/87/07/14/1180870714.db2.gz ACNOUPUBBXQJLP-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP CC#CC[NH2+]CCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001713635796 1180983650 /nfs/dbraw/zinc/98/36/50/1180983650.db2.gz QNQHNYPQWITHJW-UHFFFAOYSA-N 2 1 304.394 0.955 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001714175862 1181273395 /nfs/dbraw/zinc/27/33/95/1181273395.db2.gz BCPNTSYZULNUKJ-QGZVFWFLSA-N 2 1 318.421 0.716 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001714256867 1181296746 /nfs/dbraw/zinc/29/67/46/1181296746.db2.gz SZICGPHHKCRTJK-GXTWGEPZSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cnns2)CC1 ZINC001714310054 1181315927 /nfs/dbraw/zinc/31/59/27/1181315927.db2.gz SKSMSXBMWATKNT-LBPRGKRZSA-N 2 1 321.450 0.478 20 30 DCEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714480885 1181385666 /nfs/dbraw/zinc/38/56/66/1181385666.db2.gz BYFHQFHTFMVVSV-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCCOC)C1 ZINC001714635691 1181453156 /nfs/dbraw/zinc/45/31/56/1181453156.db2.gz PWQSJCZLCCXASI-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCCOC)C1 ZINC001714635691 1181453167 /nfs/dbraw/zinc/45/31/67/1181453167.db2.gz PWQSJCZLCCXASI-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCCOC)C1 ZINC001714635691 1181453172 /nfs/dbraw/zinc/45/31/72/1181453172.db2.gz PWQSJCZLCCXASI-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCCOC)C1 ZINC001714635691 1181453179 /nfs/dbraw/zinc/45/31/79/1181453179.db2.gz PWQSJCZLCCXASI-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CCO)C2)CC1 ZINC001714909921 1181598004 /nfs/dbraw/zinc/59/80/04/1181598004.db2.gz SNTBTUPJMWWJME-OAHLLOKOSA-N 2 1 307.438 0.104 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCO)cc1 ZINC001715196318 1181713315 /nfs/dbraw/zinc/71/33/15/1181713315.db2.gz WTRFOFGIQQYFDP-KRWDZBQOSA-N 2 1 315.417 0.482 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCO)cc1 ZINC001715196318 1181713322 /nfs/dbraw/zinc/71/33/22/1181713322.db2.gz WTRFOFGIQQYFDP-KRWDZBQOSA-N 2 1 315.417 0.482 20 30 DCEDMP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001715429387 1181810183 /nfs/dbraw/zinc/81/01/83/1181810183.db2.gz OZRUTEACSJMIDN-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001716099995 1182189923 /nfs/dbraw/zinc/18/99/23/1182189923.db2.gz JAYONLGQEFQXBT-ZFWWWQNUSA-N 2 1 306.410 0.397 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001716921006 1182577026 /nfs/dbraw/zinc/57/70/26/1182577026.db2.gz IJPOOSRGQDWJSA-MRXNPFEDSA-N 2 1 307.438 0.744 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCOC)C[C@@H]2C1 ZINC001717010886 1182621029 /nfs/dbraw/zinc/62/10/29/1182621029.db2.gz UCHGQLXOOGVUSX-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCOC)C[C@@H]2C1 ZINC001717010886 1182621033 /nfs/dbraw/zinc/62/10/33/1182621033.db2.gz UCHGQLXOOGVUSX-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCOC)C[C@@H]2C1 ZINC001717010886 1182621036 /nfs/dbraw/zinc/62/10/36/1182621036.db2.gz UCHGQLXOOGVUSX-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCOC)C[C@@H]2C1 ZINC001717010886 1182621039 /nfs/dbraw/zinc/62/10/39/1182621039.db2.gz UCHGQLXOOGVUSX-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCOC)C[C@@H]2C1 ZINC001717010886 1182621042 /nfs/dbraw/zinc/62/10/42/1182621042.db2.gz UCHGQLXOOGVUSX-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001717023271 1182630302 /nfs/dbraw/zinc/63/03/02/1182630302.db2.gz NGQIFODKJLQVIZ-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001717023271 1182630304 /nfs/dbraw/zinc/63/03/04/1182630304.db2.gz NGQIFODKJLQVIZ-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001717023271 1182630305 /nfs/dbraw/zinc/63/03/05/1182630305.db2.gz NGQIFODKJLQVIZ-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001717023271 1182630307 /nfs/dbraw/zinc/63/03/07/1182630307.db2.gz NGQIFODKJLQVIZ-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001717376542 1182810876 /nfs/dbraw/zinc/81/08/76/1182810876.db2.gz TWWZPPKVCCQMGQ-HNNXBMFYSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001717376542 1182810880 /nfs/dbraw/zinc/81/08/80/1182810880.db2.gz TWWZPPKVCCQMGQ-HNNXBMFYSA-N 2 1 322.453 0.307 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001717555970 1182896982 /nfs/dbraw/zinc/89/69/82/1182896982.db2.gz BEGDKLHFOIKFPD-JYJNAYRXSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001717555970 1182896995 /nfs/dbraw/zinc/89/69/95/1182896995.db2.gz BEGDKLHFOIKFPD-JYJNAYRXSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717709860 1182961945 /nfs/dbraw/zinc/96/19/45/1182961945.db2.gz AIZDXWSHSYRTQA-INIZCTEOSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001717860399 1183036075 /nfs/dbraw/zinc/03/60/75/1183036075.db2.gz KWCGBWDWDBNKSD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001717860399 1183036079 /nfs/dbraw/zinc/03/60/79/1183036079.db2.gz KWCGBWDWDBNKSD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001717860399 1183036085 /nfs/dbraw/zinc/03/60/85/1183036085.db2.gz KWCGBWDWDBNKSD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001717860399 1183036090 /nfs/dbraw/zinc/03/60/90/1183036090.db2.gz KWCGBWDWDBNKSD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCC)CC1 ZINC001717944482 1183084625 /nfs/dbraw/zinc/08/46/25/1183084625.db2.gz LFDVDBMSDSQHRZ-KRWDZBQOSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[N@@H+](C)CCC ZINC001721094644 1183827892 /nfs/dbraw/zinc/82/78/92/1183827892.db2.gz PVGVPCIHNACQMQ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[N@H+](C)CCC ZINC001721094644 1183827893 /nfs/dbraw/zinc/82/78/93/1183827893.db2.gz PVGVPCIHNACQMQ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[NH+](C)CCC ZINC001721094644 1183827897 /nfs/dbraw/zinc/82/78/97/1183827897.db2.gz PVGVPCIHNACQMQ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[NH+](C)CCC ZINC001721094644 1183827898 /nfs/dbraw/zinc/82/78/98/1183827898.db2.gz PVGVPCIHNACQMQ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCO)CC1 ZINC001724064326 1184375060 /nfs/dbraw/zinc/37/50/60/1184375060.db2.gz CROUKZLHSNRVTA-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724401193 1184432353 /nfs/dbraw/zinc/43/23/53/1184432353.db2.gz IZGHMFAMBFXFDM-GOSISDBHSA-N 2 1 319.449 0.439 20 30 DCEDMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001725234159 1184731058 /nfs/dbraw/zinc/73/10/58/1184731058.db2.gz LSBVLEIDWSJAHP-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001725234159 1184731061 /nfs/dbraw/zinc/73/10/61/1184731061.db2.gz LSBVLEIDWSJAHP-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001725438542 1184826544 /nfs/dbraw/zinc/82/65/44/1184826544.db2.gz VWOQGHKIJVDDHW-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725438542 1184826550 /nfs/dbraw/zinc/82/65/50/1184826550.db2.gz VWOQGHKIJVDDHW-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725438542 1184826555 /nfs/dbraw/zinc/82/65/55/1184826555.db2.gz VWOQGHKIJVDDHW-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001725447312 1184830304 /nfs/dbraw/zinc/83/03/04/1184830304.db2.gz QVXMMGOFOPUMDN-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001725447312 1184830312 /nfs/dbraw/zinc/83/03/12/1184830312.db2.gz QVXMMGOFOPUMDN-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001725650581 1184928211 /nfs/dbraw/zinc/92/82/11/1184928211.db2.gz KJLYQBXADACIEF-CVEARBPZSA-N 2 1 318.421 0.716 20 30 DCEDMP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001725715319 1184965409 /nfs/dbraw/zinc/96/54/09/1184965409.db2.gz FFHREAAWTMWTPL-ZDUSSCGKSA-N 2 1 324.425 0.677 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001725715319 1184965413 /nfs/dbraw/zinc/96/54/13/1184965413.db2.gz FFHREAAWTMWTPL-ZDUSSCGKSA-N 2 1 324.425 0.677 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731424657 1185326227 /nfs/dbraw/zinc/32/62/27/1185326227.db2.gz JRUXSAXUACERQQ-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001731424657 1185326235 /nfs/dbraw/zinc/32/62/35/1185326235.db2.gz JRUXSAXUACERQQ-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001731424657 1185326244 /nfs/dbraw/zinc/32/62/44/1185326244.db2.gz JRUXSAXUACERQQ-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccnc1 ZINC001731598419 1185405252 /nfs/dbraw/zinc/40/52/52/1185405252.db2.gz MCIRSGVXCVPGOC-HOCLYGCPSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccnc1 ZINC001731598419 1185405256 /nfs/dbraw/zinc/40/52/56/1185405256.db2.gz MCIRSGVXCVPGOC-HOCLYGCPSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001731598420 1185405871 /nfs/dbraw/zinc/40/58/71/1185405871.db2.gz MCIRSGVXCVPGOC-ZBFHGGJFSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001731598420 1185405873 /nfs/dbraw/zinc/40/58/73/1185405873.db2.gz MCIRSGVXCVPGOC-ZBFHGGJFSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001731700196 1185448997 /nfs/dbraw/zinc/44/89/97/1185448997.db2.gz QICXEQVPZREEKC-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001731849878 1185527736 /nfs/dbraw/zinc/52/77/36/1185527736.db2.gz USZNNADMOUKNDT-HNNXBMFYSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001733079401 1186127288 /nfs/dbraw/zinc/12/72/88/1186127288.db2.gz NLEJDICJKLVZPT-SJORKVTESA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001733280323 1186209895 /nfs/dbraw/zinc/20/98/95/1186209895.db2.gz HDZAWUUHFNPXMQ-UHFFFAOYSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001733280323 1186209907 /nfs/dbraw/zinc/20/99/07/1186209907.db2.gz HDZAWUUHFNPXMQ-UHFFFAOYSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001733280323 1186209913 /nfs/dbraw/zinc/20/99/13/1186209913.db2.gz HDZAWUUHFNPXMQ-UHFFFAOYSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001733398696 1186252938 /nfs/dbraw/zinc/25/29/38/1186252938.db2.gz LXSXZBYPOCSPDH-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001733398696 1186252945 /nfs/dbraw/zinc/25/29/45/1186252945.db2.gz LXSXZBYPOCSPDH-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001733398696 1186252953 /nfs/dbraw/zinc/25/29/53/1186252953.db2.gz LXSXZBYPOCSPDH-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001733491917 1186300100 /nfs/dbraw/zinc/30/01/00/1186300100.db2.gz IGMRBOAQVWBXRD-AEFFLSMTSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001733491921 1186300701 /nfs/dbraw/zinc/30/07/01/1186300701.db2.gz IGMRBOAQVWBXRD-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001733668869 1186395102 /nfs/dbraw/zinc/39/51/02/1186395102.db2.gz QNYJHHVEJVAJRY-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001733987258 1186515166 /nfs/dbraw/zinc/51/51/66/1186515166.db2.gz JYMMDPMPBPLRGK-STQMWFEESA-N 2 1 304.394 1.000 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001734546385 1186688378 /nfs/dbraw/zinc/68/83/78/1186688378.db2.gz KFHKZRZJXNVEHG-KRWDZBQOSA-N 2 1 317.433 0.746 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001752782751 1188440795 /nfs/dbraw/zinc/44/07/95/1188440795.db2.gz APWFATURGOCOEY-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001752782751 1188440799 /nfs/dbraw/zinc/44/07/99/1188440799.db2.gz APWFATURGOCOEY-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001752782751 1188440804 /nfs/dbraw/zinc/44/08/04/1188440804.db2.gz APWFATURGOCOEY-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001753025037 1188479154 /nfs/dbraw/zinc/47/91/54/1188479154.db2.gz LYUQEJDARJEEIC-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001753025037 1188479156 /nfs/dbraw/zinc/47/91/56/1188479156.db2.gz LYUQEJDARJEEIC-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001753025037 1188479158 /nfs/dbraw/zinc/47/91/58/1188479158.db2.gz LYUQEJDARJEEIC-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001753025037 1188479161 /nfs/dbraw/zinc/47/91/61/1188479161.db2.gz LYUQEJDARJEEIC-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753083262 1188493353 /nfs/dbraw/zinc/49/33/53/1188493353.db2.gz XZIYLFTZYMURFH-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753083262 1188493355 /nfs/dbraw/zinc/49/33/55/1188493355.db2.gz XZIYLFTZYMURFH-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001753083262 1188493356 /nfs/dbraw/zinc/49/33/56/1188493356.db2.gz XZIYLFTZYMURFH-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753083262 1188493358 /nfs/dbraw/zinc/49/33/58/1188493358.db2.gz XZIYLFTZYMURFH-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001753345066 1188569906 /nfs/dbraw/zinc/56/99/06/1188569906.db2.gz CEMNZUYYSNNPKX-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001753345066 1188569909 /nfs/dbraw/zinc/56/99/09/1188569909.db2.gz CEMNZUYYSNNPKX-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001753345066 1188569912 /nfs/dbraw/zinc/56/99/12/1188569912.db2.gz CEMNZUYYSNNPKX-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CCCCC1 ZINC001753749164 1188650679 /nfs/dbraw/zinc/65/06/79/1188650679.db2.gz DMRPGXUCUJDSKK-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CCCCC1 ZINC001753749164 1188650680 /nfs/dbraw/zinc/65/06/80/1188650680.db2.gz DMRPGXUCUJDSKK-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001754456673 1188856645 /nfs/dbraw/zinc/85/66/45/1188856645.db2.gz RDISNYAGUNHGDQ-HNNXBMFYSA-N 2 1 304.394 0.326 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCC=C)C1 ZINC001755002955 1188991866 /nfs/dbraw/zinc/99/18/66/1188991866.db2.gz CPFQBMAAXSRKEH-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCC=C)C1 ZINC001755002955 1188991869 /nfs/dbraw/zinc/99/18/69/1188991869.db2.gz CPFQBMAAXSRKEH-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001755150689 1189036536 /nfs/dbraw/zinc/03/65/36/1189036536.db2.gz WTXQSFFNYRVXNZ-UHFFFAOYSA-N 2 1 322.409 0.479 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755154158 1189038745 /nfs/dbraw/zinc/03/87/45/1189038745.db2.gz FDCYAJKNDUZVMJ-INIZCTEOSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CCOC ZINC001755841652 1189234369 /nfs/dbraw/zinc/23/43/69/1189234369.db2.gz RTNXICBLOIDCKZ-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CCOC ZINC001755841652 1189234373 /nfs/dbraw/zinc/23/43/73/1189234373.db2.gz RTNXICBLOIDCKZ-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CCOC ZINC001755841652 1189234376 /nfs/dbraw/zinc/23/43/76/1189234376.db2.gz RTNXICBLOIDCKZ-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CCOC ZINC001755841652 1189234379 /nfs/dbraw/zinc/23/43/79/1189234379.db2.gz RTNXICBLOIDCKZ-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706544 751712826 /nfs/dbraw/zinc/71/28/26/751712826.db2.gz MNPBUFGEXNRYID-HZSPNIEDSA-N 2 1 310.442 0.113 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](CC)[NH+](C)C)nn2)C1 ZINC001107212309 751953990 /nfs/dbraw/zinc/95/39/90/751953990.db2.gz ZIPZYGUKAHFTSC-HNNXBMFYSA-N 2 1 320.441 0.667 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609279 752148269 /nfs/dbraw/zinc/14/82/69/752148269.db2.gz MIYRCAQFIZHPSS-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247876 747422159 /nfs/dbraw/zinc/42/21/59/747422159.db2.gz IBWWJGZOSQODRH-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247876 747422164 /nfs/dbraw/zinc/42/21/64/747422164.db2.gz IBWWJGZOSQODRH-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247876 747422169 /nfs/dbraw/zinc/42/21/69/747422169.db2.gz IBWWJGZOSQODRH-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083247876 747422174 /nfs/dbraw/zinc/42/21/74/747422174.db2.gz IBWWJGZOSQODRH-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167626709 747436198 /nfs/dbraw/zinc/43/61/98/747436198.db2.gz FWKUOWIVWMYJQR-OAHLLOKOSA-N 2 1 324.469 0.647 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259859 748087806 /nfs/dbraw/zinc/08/78/06/748087806.db2.gz OWGYQSYTYNDOSF-HNNXBMFYSA-N 2 1 318.425 0.277 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001105365455 748528339 /nfs/dbraw/zinc/52/83/39/748528339.db2.gz UEAVQPKGOHTTOP-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001105365455 748528345 /nfs/dbraw/zinc/52/83/45/748528345.db2.gz UEAVQPKGOHTTOP-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974189 750612595 /nfs/dbraw/zinc/61/25/95/750612595.db2.gz QBRNTKJBLKIRGT-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974189 750612599 /nfs/dbraw/zinc/61/25/99/750612599.db2.gz QBRNTKJBLKIRGT-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245520 751062514 /nfs/dbraw/zinc/06/25/14/751062514.db2.gz CRDYGUPTKGDBBQ-BZUAXINKSA-N 2 1 319.453 0.683 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352390 751118729 /nfs/dbraw/zinc/11/87/29/751118729.db2.gz QSPMMLZVHQRXNZ-CHWSQXEVSA-N 2 1 304.394 0.667 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589438 752519931 /nfs/dbraw/zinc/51/99/31/752519931.db2.gz YNGRJXPBAFMPIR-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108009511 752909951 /nfs/dbraw/zinc/90/99/51/752909951.db2.gz BKPOFPFXJOXOFN-RDJZCZTQSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108009511 752909955 /nfs/dbraw/zinc/90/99/55/752909955.db2.gz BKPOFPFXJOXOFN-RDJZCZTQSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967459 753155609 /nfs/dbraw/zinc/15/56/09/753155609.db2.gz DOEMJVVACBTVLQ-HOTGVXAUSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967459 753155615 /nfs/dbraw/zinc/15/56/15/753155615.db2.gz DOEMJVVACBTVLQ-HOTGVXAUSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967459 753155620 /nfs/dbraw/zinc/15/56/20/753155620.db2.gz DOEMJVVACBTVLQ-HOTGVXAUSA-N 2 1 319.449 0.559 20 30 DCEDMP C[N@@H+](CC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1)C1CCC1 ZINC001046035341 753437833 /nfs/dbraw/zinc/43/78/33/753437833.db2.gz JROBTAANKVOYOH-MRXNPFEDSA-N 2 1 319.453 0.213 20 30 DCEDMP C[N@@H+](CC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1)C1CCC1 ZINC001046035340 753438125 /nfs/dbraw/zinc/43/81/25/753438125.db2.gz JROBTAANKVOYOH-INIZCTEOSA-N 2 1 319.453 0.213 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001046036955 753440206 /nfs/dbraw/zinc/44/02/06/753440206.db2.gz QQHVFKXLUBLMBP-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001046036955 753440209 /nfs/dbraw/zinc/44/02/09/753440209.db2.gz QQHVFKXLUBLMBP-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC)C2)CC1 ZINC001046036955 753440211 /nfs/dbraw/zinc/44/02/11/753440211.db2.gz QQHVFKXLUBLMBP-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC)C2)CC1 ZINC001046036955 753440213 /nfs/dbraw/zinc/44/02/13/753440213.db2.gz QQHVFKXLUBLMBP-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046036868 753440305 /nfs/dbraw/zinc/44/03/05/753440305.db2.gz HZMYMZPIQMNSDY-IRXDYDNUSA-N 2 1 320.481 0.424 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046039242 753441854 /nfs/dbraw/zinc/44/18/54/753441854.db2.gz UUHZBEVDCKEIIE-DLBZAZTESA-N 2 1 320.481 0.568 20 30 DCEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081544 753471068 /nfs/dbraw/zinc/47/10/68/753471068.db2.gz HEHNHLBJVYNUIO-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081544 753471070 /nfs/dbraw/zinc/47/10/70/753471070.db2.gz HEHNHLBJVYNUIO-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081544 753471072 /nfs/dbraw/zinc/47/10/72/753471072.db2.gz HEHNHLBJVYNUIO-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079843645 756022175 /nfs/dbraw/zinc/02/21/75/756022175.db2.gz CJUBWOMFBPSZJV-OIISXLGYSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079843645 756022179 /nfs/dbraw/zinc/02/21/79/756022179.db2.gz CJUBWOMFBPSZJV-OIISXLGYSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001079843645 756022184 /nfs/dbraw/zinc/02/21/84/756022184.db2.gz CJUBWOMFBPSZJV-OIISXLGYSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001079843645 756022188 /nfs/dbraw/zinc/02/21/88/756022188.db2.gz CJUBWOMFBPSZJV-OIISXLGYSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001053924992 756281668 /nfs/dbraw/zinc/28/16/68/756281668.db2.gz DZTATKANHVJVIO-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001053924992 756281670 /nfs/dbraw/zinc/28/16/70/756281670.db2.gz DZTATKANHVJVIO-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066492 756916753 /nfs/dbraw/zinc/91/67/53/756916753.db2.gz VAGBLFCUXXYMOH-CAOSSQGBSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066492 756916757 /nfs/dbraw/zinc/91/67/57/756916757.db2.gz VAGBLFCUXXYMOH-CAOSSQGBSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066492 756916761 /nfs/dbraw/zinc/91/67/61/756916761.db2.gz VAGBLFCUXXYMOH-CAOSSQGBSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066492 756916764 /nfs/dbraw/zinc/91/67/64/756916764.db2.gz VAGBLFCUXXYMOH-CAOSSQGBSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#CC)C[C@H]2OC)CC1 ZINC001082382918 757090178 /nfs/dbraw/zinc/09/01/78/757090178.db2.gz ANAFYJRGHNJVDH-IAGOWNOFSA-N 2 1 317.433 0.170 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#CC)C[C@H]2OC)CC1 ZINC001082382918 757090188 /nfs/dbraw/zinc/09/01/88/757090188.db2.gz ANAFYJRGHNJVDH-IAGOWNOFSA-N 2 1 317.433 0.170 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082557975 757186419 /nfs/dbraw/zinc/18/64/19/757186419.db2.gz RTGSZBDIZAXQII-OAGGEKHMSA-N 2 1 319.453 0.826 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393956 757391918 /nfs/dbraw/zinc/39/19/18/757391918.db2.gz RXUOVUFXLIQTNU-LSDHHAIUSA-N 2 1 305.422 0.190 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083024788 757426336 /nfs/dbraw/zinc/42/63/36/757426336.db2.gz ZLKALVUGMWRGOP-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024788 757426348 /nfs/dbraw/zinc/42/63/48/757426348.db2.gz ZLKALVUGMWRGOP-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024788 757426352 /nfs/dbraw/zinc/42/63/52/757426352.db2.gz ZLKALVUGMWRGOP-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083084007 757484093 /nfs/dbraw/zinc/48/40/93/757484093.db2.gz VSMGXOAKAIXWFA-IXDOHACOSA-N 2 1 317.433 0.263 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001050206942 757488180 /nfs/dbraw/zinc/48/81/80/757488180.db2.gz SLGACIXIOACRGM-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001050206942 757488182 /nfs/dbraw/zinc/48/81/82/757488182.db2.gz SLGACIXIOACRGM-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206942 757488185 /nfs/dbraw/zinc/48/81/85/757488185.db2.gz SLGACIXIOACRGM-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206942 757488189 /nfs/dbraw/zinc/48/81/89/757488189.db2.gz SLGACIXIOACRGM-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969863 758145917 /nfs/dbraw/zinc/14/59/17/758145917.db2.gz BPZNBKZAYIZMRM-LVQVYYBASA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969863 758145922 /nfs/dbraw/zinc/14/59/22/758145922.db2.gz BPZNBKZAYIZMRM-LVQVYYBASA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969863 758145928 /nfs/dbraw/zinc/14/59/28/758145928.db2.gz BPZNBKZAYIZMRM-LVQVYYBASA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969863 758145931 /nfs/dbraw/zinc/14/59/31/758145931.db2.gz BPZNBKZAYIZMRM-LVQVYYBASA-N 2 1 307.438 0.814 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001098478845 762678374 /nfs/dbraw/zinc/67/83/74/762678374.db2.gz GQZAGPMGTGGVRZ-UHFFFAOYSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001098478845 762678375 /nfs/dbraw/zinc/67/83/75/762678375.db2.gz GQZAGPMGTGGVRZ-UHFFFAOYSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001098478845 762678376 /nfs/dbraw/zinc/67/83/76/762678376.db2.gz GQZAGPMGTGGVRZ-UHFFFAOYSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085602374 759114775 /nfs/dbraw/zinc/11/47/75/759114775.db2.gz YVMDUMLWEAGXDM-AWEZNQCLSA-N 2 1 305.426 0.777 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085602374 759114779 /nfs/dbraw/zinc/11/47/79/759114779.db2.gz YVMDUMLWEAGXDM-AWEZNQCLSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001098533087 762687612 /nfs/dbraw/zinc/68/76/12/762687612.db2.gz RQHTZLFXHNZTIE-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098533087 762687614 /nfs/dbraw/zinc/68/76/14/762687614.db2.gz RQHTZLFXHNZTIE-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098533087 762687615 /nfs/dbraw/zinc/68/76/15/762687615.db2.gz RQHTZLFXHNZTIE-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081467 759165281 /nfs/dbraw/zinc/16/52/81/759165281.db2.gz BRTIZYUGZPFZFM-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081467 759165287 /nfs/dbraw/zinc/16/52/87/759165287.db2.gz BRTIZYUGZPFZFM-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109148 759185584 /nfs/dbraw/zinc/18/55/84/759185584.db2.gz XERMGOIYBVUFGO-MRXNPFEDSA-N 2 1 318.465 0.487 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001108214113 759393341 /nfs/dbraw/zinc/39/33/41/759393341.db2.gz ZGUAUIIUFJGVHL-NVXWUHKLSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108214113 759393352 /nfs/dbraw/zinc/39/33/52/759393352.db2.gz ZGUAUIIUFJGVHL-NVXWUHKLSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108214113 759393361 /nfs/dbraw/zinc/39/33/61/759393361.db2.gz ZGUAUIIUFJGVHL-NVXWUHKLSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108214113 759393371 /nfs/dbraw/zinc/39/33/71/759393371.db2.gz ZGUAUIIUFJGVHL-NVXWUHKLSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC#CC)CC1 ZINC001085986712 759547309 /nfs/dbraw/zinc/54/73/09/759547309.db2.gz LKCULMNSYDWDJI-QGZVFWFLSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#CC)CC1 ZINC001085986712 759547313 /nfs/dbraw/zinc/54/73/13/759547313.db2.gz LKCULMNSYDWDJI-QGZVFWFLSA-N 2 1 301.434 0.888 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086091700 759704610 /nfs/dbraw/zinc/70/46/10/759704610.db2.gz KCDLGSACGPBMPV-FZKCQIBNSA-N 2 1 307.438 0.910 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2cncn2C)[C@H](O)C1 ZINC001100094628 760245394 /nfs/dbraw/zinc/24/53/94/760245394.db2.gz PQQCMKNMQHQHRP-JKSUJKDBSA-N 2 1 320.437 0.870 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337410 760739316 /nfs/dbraw/zinc/73/93/16/760739316.db2.gz GUUZIMJFGBCDCC-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001108777670 761043316 /nfs/dbraw/zinc/04/33/16/761043316.db2.gz DKMFSIPBYKYPEO-ULQDDVLXSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219974 761142495 /nfs/dbraw/zinc/14/24/95/761142495.db2.gz UZHCTHOPLFPFBG-KFWWJZLASA-N 2 1 318.425 0.290 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719062 761412264 /nfs/dbraw/zinc/41/22/64/761412264.db2.gz RDEBSVGRBCGGRR-RRFJBIMHSA-N 2 1 317.437 0.442 20 30 DCEDMP C=CCCN1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001071004968 761575572 /nfs/dbraw/zinc/57/55/72/761575572.db2.gz YRJNLIJIHDYNBV-UHFFFAOYSA-N 2 1 319.409 0.179 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001071175335 761684519 /nfs/dbraw/zinc/68/45/19/761684519.db2.gz CKTHEBKPUDBGTB-NVXWUHKLSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071228432 761725561 /nfs/dbraw/zinc/72/55/61/761725561.db2.gz UPOOMACJGUQZHJ-QAPCUYQASA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCO)C3)CC1 ZINC001099174504 762826892 /nfs/dbraw/zinc/82/68/92/762826892.db2.gz PYTULHFHNCIYFT-WMZOPIPTSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(CC)CC ZINC001129790673 763004774 /nfs/dbraw/zinc/00/47/74/763004774.db2.gz GNIUDKVSUTXOGQ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(CC)CC ZINC001129790673 763004778 /nfs/dbraw/zinc/00/47/78/763004778.db2.gz GNIUDKVSUTXOGQ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ns1 ZINC001129771311 763009323 /nfs/dbraw/zinc/00/93/23/763009323.db2.gz VIKATRQTPMSVBF-AWEZNQCLSA-N 2 1 306.435 0.755 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ns1 ZINC001129771311 763009330 /nfs/dbraw/zinc/00/93/30/763009330.db2.gz VIKATRQTPMSVBF-AWEZNQCLSA-N 2 1 306.435 0.755 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129842530 763022515 /nfs/dbraw/zinc/02/25/15/763022515.db2.gz ZKWCTKYUVCIUOB-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034683 763239115 /nfs/dbraw/zinc/23/91/15/763239115.db2.gz TZHYIJOPSKHASM-HOTGVXAUSA-N 2 1 318.421 0.546 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034683 763239119 /nfs/dbraw/zinc/23/91/19/763239119.db2.gz TZHYIJOPSKHASM-HOTGVXAUSA-N 2 1 318.421 0.546 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100073958 763282319 /nfs/dbraw/zinc/28/23/19/763282319.db2.gz IBZXWBIHJKELQM-CABCVRRESA-N 2 1 307.438 0.600 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC)C1=O ZINC001130424742 763296784 /nfs/dbraw/zinc/29/67/84/763296784.db2.gz ALCXHSOKAKYFJC-CYBMUJFWSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@H+](C)CCC)C1 ZINC001130446772 763312174 /nfs/dbraw/zinc/31/21/74/763312174.db2.gz QZWASPDCOMENAA-CQSZACIVSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130446772 763312180 /nfs/dbraw/zinc/31/21/80/763312180.db2.gz QZWASPDCOMENAA-CQSZACIVSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130446772 763312188 /nfs/dbraw/zinc/31/21/88/763312188.db2.gz QZWASPDCOMENAA-CQSZACIVSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001130452283 763320892 /nfs/dbraw/zinc/32/08/92/763320892.db2.gz AGAMBNGHQWHFIK-AWEZNQCLSA-N 2 1 317.437 0.789 20 30 DCEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130452283 763320900 /nfs/dbraw/zinc/32/09/00/763320900.db2.gz AGAMBNGHQWHFIK-AWEZNQCLSA-N 2 1 317.437 0.789 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130452283 763320910 /nfs/dbraw/zinc/32/09/10/763320910.db2.gz AGAMBNGHQWHFIK-AWEZNQCLSA-N 2 1 317.437 0.789 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131682655 763934763 /nfs/dbraw/zinc/93/47/63/763934763.db2.gz RHLQAZTVWURTHF-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001098479105 764476881 /nfs/dbraw/zinc/47/68/81/764476881.db2.gz SGADMZFYZCTACJ-UHFFFAOYSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001098479105 764476886 /nfs/dbraw/zinc/47/68/86/764476886.db2.gz SGADMZFYZCTACJ-UHFFFAOYSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001098479105 764476887 /nfs/dbraw/zinc/47/68/87/764476887.db2.gz SGADMZFYZCTACJ-UHFFFAOYSA-N 2 1 323.481 0.883 20 30 DCEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C)[NH+](C)C ZINC001102088136 764522387 /nfs/dbraw/zinc/52/23/87/764522387.db2.gz ODMAFZHJPIDEEF-BZUAXINKSA-N 2 1 309.454 0.661 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132743110 764620289 /nfs/dbraw/zinc/62/02/89/764620289.db2.gz UVTBAVRIJHPHGO-CABCVRRESA-N 2 1 324.469 0.505 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092143461 768226713 /nfs/dbraw/zinc/22/67/13/768226713.db2.gz IDZMMBHCYNTERO-QAPCUYQASA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276315 768254967 /nfs/dbraw/zinc/25/49/67/768254967.db2.gz KZUPAEUPQMGGTQ-NUJGCVRESA-N 2 1 319.449 0.368 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001124873254 768319993 /nfs/dbraw/zinc/31/99/93/768319993.db2.gz UUSWOVCCWSJCSZ-HNNXBMFYSA-N 2 1 304.369 0.997 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090693754 766484289 /nfs/dbraw/zinc/48/42/89/766484289.db2.gz VDRNSUKAYKYLQZ-IRXDYDNUSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120449964 767019691 /nfs/dbraw/zinc/01/96/91/767019691.db2.gz QSLYPAVWFCWZRO-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001121915897 767667349 /nfs/dbraw/zinc/66/73/49/767667349.db2.gz RCKYXHDYRPCOJY-UHFFFAOYSA-N 2 1 305.422 0.359 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001125214936 768377133 /nfs/dbraw/zinc/37/71/33/768377133.db2.gz XWRZSEVGBMTRML-MRXNPFEDSA-N 2 1 301.390 0.075 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001125214936 768377142 /nfs/dbraw/zinc/37/71/42/768377142.db2.gz XWRZSEVGBMTRML-MRXNPFEDSA-N 2 1 301.390 0.075 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040332 768441995 /nfs/dbraw/zinc/44/19/95/768441995.db2.gz NEMRMTBNKACQGD-HUUCEWRRSA-N 2 1 317.437 0.376 20 30 DCEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093213145 768495415 /nfs/dbraw/zinc/49/54/15/768495415.db2.gz WVZLDCROKQGGCD-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093213145 768495416 /nfs/dbraw/zinc/49/54/16/768495416.db2.gz WVZLDCROKQGGCD-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093213145 768495422 /nfs/dbraw/zinc/49/54/22/768495422.db2.gz WVZLDCROKQGGCD-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093213145 768495428 /nfs/dbraw/zinc/49/54/28/768495428.db2.gz WVZLDCROKQGGCD-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021641 768927763 /nfs/dbraw/zinc/92/77/63/768927763.db2.gz KVZHVZQRNUAUAK-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021641 768927765 /nfs/dbraw/zinc/92/77/65/768927765.db2.gz KVZHVZQRNUAUAK-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070157 768937699 /nfs/dbraw/zinc/93/76/99/768937699.db2.gz HEYRYOOEYVUDLJ-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070157 768937706 /nfs/dbraw/zinc/93/77/06/768937706.db2.gz HEYRYOOEYVUDLJ-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCN1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150331550 769067871 /nfs/dbraw/zinc/06/78/71/769067871.db2.gz DQZLOVZZPAAJKQ-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001150331550 769067880 /nfs/dbraw/zinc/06/78/80/769067880.db2.gz DQZLOVZZPAAJKQ-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150331550 769067888 /nfs/dbraw/zinc/06/78/88/769067888.db2.gz DQZLOVZZPAAJKQ-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150331550 769067904 /nfs/dbraw/zinc/06/79/04/769067904.db2.gz DQZLOVZZPAAJKQ-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150497594 769111278 /nfs/dbraw/zinc/11/12/78/769111278.db2.gz KDBOLBGUAILBDA-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150725026 769170488 /nfs/dbraw/zinc/17/04/88/769170488.db2.gz UBBFAERJQDKHLM-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150725026 769170490 /nfs/dbraw/zinc/17/04/90/769170490.db2.gz UBBFAERJQDKHLM-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001151049748 769245864 /nfs/dbraw/zinc/24/58/64/769245864.db2.gz YFRJPYHQMAJQSJ-OAHLLOKOSA-N 2 1 316.405 0.746 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938553 769427867 /nfs/dbraw/zinc/42/78/67/769427867.db2.gz XNROIFHQONNZDD-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153319515 769782797 /nfs/dbraw/zinc/78/27/97/769782797.db2.gz FTTCWBGOAOHXOU-UHFFFAOYSA-N 2 1 303.406 0.474 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153319515 769782805 /nfs/dbraw/zinc/78/28/05/769782805.db2.gz FTTCWBGOAOHXOU-UHFFFAOYSA-N 2 1 303.406 0.474 20 30 DCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176686143 770153563 /nfs/dbraw/zinc/15/35/63/770153563.db2.gz RHDQQFUVQWYSNK-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176686143 770153566 /nfs/dbraw/zinc/15/35/66/770153566.db2.gz RHDQQFUVQWYSNK-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894582 770328903 /nfs/dbraw/zinc/32/89/03/770328903.db2.gz TZRFPCZYNJULLH-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894582 770328915 /nfs/dbraw/zinc/32/89/15/770328915.db2.gz TZRFPCZYNJULLH-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254829 770450736 /nfs/dbraw/zinc/45/07/36/770450736.db2.gz GAHPMPJXVTYOSK-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254829 770450745 /nfs/dbraw/zinc/45/07/45/770450745.db2.gz GAHPMPJXVTYOSK-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155254829 770450753 /nfs/dbraw/zinc/45/07/53/770450753.db2.gz GAHPMPJXVTYOSK-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155254829 770450760 /nfs/dbraw/zinc/45/07/60/770450760.db2.gz GAHPMPJXVTYOSK-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCC[NH2+]CCCCCCNC(=O)CC[NH+]1CCOCC1 ZINC001179831384 771020903 /nfs/dbraw/zinc/02/09/03/771020903.db2.gz CLHPBZQDTKNREW-UHFFFAOYSA-N 2 1 309.454 0.998 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001183254361 771630001 /nfs/dbraw/zinc/63/00/01/771630001.db2.gz DDSIBZMSXROQNR-HUUCEWRRSA-N 2 1 316.405 0.601 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185158633 771871023 /nfs/dbraw/zinc/87/10/23/771871023.db2.gz SMLBRMPRMCWDLZ-SOUVJXGZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncnc2c1CC[NH2+]C2 ZINC001159921240 771977589 /nfs/dbraw/zinc/97/75/89/771977589.db2.gz KUVIZVCPVNOILX-ZDUSSCGKSA-N 2 1 319.409 0.761 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cn(C)nc1C ZINC001160198290 772008215 /nfs/dbraw/zinc/00/82/15/772008215.db2.gz ZIULWBWQXBFUID-INIZCTEOSA-N 2 1 317.437 0.422 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cn(C)nc1C ZINC001160198290 772008220 /nfs/dbraw/zinc/00/82/20/772008220.db2.gz ZIULWBWQXBFUID-INIZCTEOSA-N 2 1 317.437 0.422 20 30 DCEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515899 772488036 /nfs/dbraw/zinc/48/80/36/772488036.db2.gz CSQYRWVDPIJWRT-GJZGRUSLSA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515899 772488040 /nfs/dbraw/zinc/48/80/40/772488040.db2.gz CSQYRWVDPIJWRT-GJZGRUSLSA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515899 772488042 /nfs/dbraw/zinc/48/80/42/772488042.db2.gz CSQYRWVDPIJWRT-GJZGRUSLSA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189515899 772488046 /nfs/dbraw/zinc/48/80/46/772488046.db2.gz CSQYRWVDPIJWRT-GJZGRUSLSA-N 2 1 311.426 0.052 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786647 772532542 /nfs/dbraw/zinc/53/25/42/772532542.db2.gz HCCFBJOZHKTODJ-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786647 772532544 /nfs/dbraw/zinc/53/25/44/772532544.db2.gz HCCFBJOZHKTODJ-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786647 772532545 /nfs/dbraw/zinc/53/25/45/772532545.db2.gz HCCFBJOZHKTODJ-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC#CCOC)C1 ZINC001164449555 772660288 /nfs/dbraw/zinc/66/02/88/772660288.db2.gz LPQLWAWPWLMJRN-MRXNPFEDSA-N 2 1 309.454 0.854 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001205345569 772988212 /nfs/dbraw/zinc/98/82/12/772988212.db2.gz RCGMWXHFHVQMAF-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193447352 773061256 /nfs/dbraw/zinc/06/12/56/773061256.db2.gz OVRZXYVCLNRVAA-RBSFLKMASA-N 2 1 315.433 0.794 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206274291 773061705 /nfs/dbraw/zinc/06/17/05/773061705.db2.gz HLCOKTFOPBEYAY-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026741 773140345 /nfs/dbraw/zinc/14/03/45/773140345.db2.gz KEYIWXBHVFXPLS-OAHLLOKOSA-N 2 1 304.394 0.374 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026741 773140349 /nfs/dbraw/zinc/14/03/49/773140349.db2.gz KEYIWXBHVFXPLS-OAHLLOKOSA-N 2 1 304.394 0.374 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)COC)C2)CC1 ZINC001194245562 773167416 /nfs/dbraw/zinc/16/74/16/773167416.db2.gz CMYWTUNCYAWUAF-RDJZCZTQSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208330750 773434794 /nfs/dbraw/zinc/43/47/94/773434794.db2.gz DQPQBIKAVNCKCR-HZPDHXFCSA-N 2 1 319.453 0.970 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208424016 773457635 /nfs/dbraw/zinc/45/76/35/773457635.db2.gz SLGIOUYAZAVOFR-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195864839 773495045 /nfs/dbraw/zinc/49/50/45/773495045.db2.gz AWIBWSLXTADLDL-QGZVFWFLSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195864839 773495047 /nfs/dbraw/zinc/49/50/47/773495047.db2.gz AWIBWSLXTADLDL-QGZVFWFLSA-N 2 1 319.449 0.512 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242823 773573608 /nfs/dbraw/zinc/57/36/08/773573608.db2.gz OPKINVBSGUJVPX-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242823 773573611 /nfs/dbraw/zinc/57/36/11/773573611.db2.gz OPKINVBSGUJVPX-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210297817 773695639 /nfs/dbraw/zinc/69/56/39/773695639.db2.gz HXWOZXKVPOWRLF-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210297817 773695644 /nfs/dbraw/zinc/69/56/44/773695644.db2.gz HXWOZXKVPOWRLF-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210297817 773695651 /nfs/dbraw/zinc/69/56/51/773695651.db2.gz HXWOZXKVPOWRLF-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210297817 773695658 /nfs/dbraw/zinc/69/56/58/773695658.db2.gz HXWOZXKVPOWRLF-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCOCC[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197823594 773812585 /nfs/dbraw/zinc/81/25/85/773812585.db2.gz DGHXOIXYSSLKQH-UHFFFAOYSA-N 2 1 307.438 0.819 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658453 774392445 /nfs/dbraw/zinc/39/24/45/774392445.db2.gz NEXVCNKMQLEQIA-HZPDHXFCSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCO1 ZINC001200866796 774421443 /nfs/dbraw/zinc/42/14/43/774421443.db2.gz XVIKMDMXSFEBSZ-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCCO1 ZINC001201419647 774507049 /nfs/dbraw/zinc/50/70/49/774507049.db2.gz HDTBDKUDUYRRGB-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693638 774712364 /nfs/dbraw/zinc/71/23/64/774712364.db2.gz PHZFYEYSSVPLDZ-NCOADZHNSA-N 2 1 321.465 0.944 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693638 774712366 /nfs/dbraw/zinc/71/23/66/774712366.db2.gz PHZFYEYSSVPLDZ-NCOADZHNSA-N 2 1 321.465 0.944 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230415 774741337 /nfs/dbraw/zinc/74/13/37/774741337.db2.gz DNVNITWOZINJIE-KFWWJZLASA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220825888 774926208 /nfs/dbraw/zinc/92/62/08/774926208.db2.gz HNOCGURHZUTMQN-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220825888 774926213 /nfs/dbraw/zinc/92/62/13/774926213.db2.gz HNOCGURHZUTMQN-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220825888 774926216 /nfs/dbraw/zinc/92/62/16/774926216.db2.gz HNOCGURHZUTMQN-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001224546919 775582753 /nfs/dbraw/zinc/58/27/53/775582753.db2.gz SUIAULZSCSVDKX-WBVHZDCISA-N 2 1 321.465 0.662 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226608455 775845543 /nfs/dbraw/zinc/84/55/43/775845543.db2.gz IIJRAEUWSADTCM-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001278140130 945151439 /nfs/dbraw/zinc/15/14/39/945151439.db2.gz XZVKYXWTCQBIJS-GJZGRUSLSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CC[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001494210781 945199584 /nfs/dbraw/zinc/19/95/84/945199584.db2.gz WCAFARVEWRDWMR-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001494210781 945199588 /nfs/dbraw/zinc/19/95/88/945199588.db2.gz WCAFARVEWRDWMR-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266439579 939118730 /nfs/dbraw/zinc/11/87/30/939118730.db2.gz RLRBONGOEMVCRX-GOEBONIOSA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266537149 939155975 /nfs/dbraw/zinc/15/59/75/939155975.db2.gz FYKCWVQOXBFJHY-KRWDZBQOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001493278908 939305518 /nfs/dbraw/zinc/30/55/18/939305518.db2.gz FPIAPLLGAQJPRD-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001267199633 939383701 /nfs/dbraw/zinc/38/37/01/939383701.db2.gz RVMPBISXOKAEIU-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001267199633 939383705 /nfs/dbraw/zinc/38/37/05/939383705.db2.gz RVMPBISXOKAEIU-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001267256253 939404927 /nfs/dbraw/zinc/40/49/27/939404927.db2.gz OSWNLFYCMYFCHF-OAHLLOKOSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267280332 939413480 /nfs/dbraw/zinc/41/34/80/939413480.db2.gz CBIWJWXAVZTLDH-ZBFHGGJFSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267280332 939413482 /nfs/dbraw/zinc/41/34/82/939413482.db2.gz CBIWJWXAVZTLDH-ZBFHGGJFSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001267429056 939454349 /nfs/dbraw/zinc/45/43/49/939454349.db2.gz MHURLDJNHQWDSZ-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC#CCOC)CC[N@H+]1C ZINC001480976182 939508457 /nfs/dbraw/zinc/50/84/57/939508457.db2.gz XEVSZRSEWSYPKB-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC)CC#CCOC)CC[NH+]1C ZINC001480976182 939508458 /nfs/dbraw/zinc/50/84/58/939508458.db2.gz XEVSZRSEWSYPKB-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC)CC#CCOC)CC[NH+]1C ZINC001480976182 939508459 /nfs/dbraw/zinc/50/84/59/939508459.db2.gz XEVSZRSEWSYPKB-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481118714 939569952 /nfs/dbraw/zinc/56/99/52/939569952.db2.gz LNZHOWLUXPVHTI-OAHLLOKOSA-N 2 1 307.438 0.723 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267709381 939633663 /nfs/dbraw/zinc/63/36/63/939633663.db2.gz WHPZJTVQKXLCBI-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCOC)C1 ZINC001481435582 939789230 /nfs/dbraw/zinc/78/92/30/939789230.db2.gz PQQOHGXNGBAWDM-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCCOC)C1 ZINC001481435582 939789232 /nfs/dbraw/zinc/78/92/32/939789232.db2.gz PQQOHGXNGBAWDM-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCOC)C1 ZINC001481435582 939789233 /nfs/dbraw/zinc/78/92/33/939789233.db2.gz PQQOHGXNGBAWDM-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCOC)C1 ZINC001481435582 939789236 /nfs/dbraw/zinc/78/92/36/939789236.db2.gz PQQOHGXNGBAWDM-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268364130 940082083 /nfs/dbraw/zinc/08/20/83/940082083.db2.gz BELNJBOGABJHQA-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001268896600 940400771 /nfs/dbraw/zinc/40/07/71/940400771.db2.gz VBADTFHKFXIMAV-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001268895987 940400777 /nfs/dbraw/zinc/40/07/77/940400777.db2.gz GZAWPRRPKDDRDZ-KGLIPLIRSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001268895987 940400779 /nfs/dbraw/zinc/40/07/79/940400779.db2.gz GZAWPRRPKDDRDZ-KGLIPLIRSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCC[C@@H](O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246047757 945327698 /nfs/dbraw/zinc/32/76/98/945327698.db2.gz SWWITHSSOOACDW-GAGVYUBLSA-N 2 1 308.422 0.644 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001269039267 940599109 /nfs/dbraw/zinc/59/91/09/940599109.db2.gz SISLVORJCIVEBS-ZNMIVQPWSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001269039267 940599110 /nfs/dbraw/zinc/59/91/10/940599110.db2.gz SISLVORJCIVEBS-ZNMIVQPWSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001278432182 945340678 /nfs/dbraw/zinc/34/06/78/945340678.db2.gz BWPASTSGJGMXBF-PBHICJAKSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001278432182 945340687 /nfs/dbraw/zinc/34/06/87/945340687.db2.gz BWPASTSGJGMXBF-PBHICJAKSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001278432182 945340696 /nfs/dbraw/zinc/34/06/96/945340696.db2.gz BWPASTSGJGMXBF-PBHICJAKSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001278432182 945340706 /nfs/dbraw/zinc/34/07/06/945340706.db2.gz BWPASTSGJGMXBF-PBHICJAKSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001269619209 940744001 /nfs/dbraw/zinc/74/40/01/940744001.db2.gz LYNDREBPRDJRGX-KRWDZBQOSA-N 2 1 318.421 0.867 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270112503 940837416 /nfs/dbraw/zinc/83/74/16/940837416.db2.gz GQESAORLJQSCPQ-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[NH+]1CCC(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001270144777 940843845 /nfs/dbraw/zinc/84/38/45/940843845.db2.gz USOKQWCMKSNMTQ-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001271146609 941288232 /nfs/dbraw/zinc/28/82/32/941288232.db2.gz WWEKDXGWDBGFTO-PBHICJAKSA-N 2 1 318.421 0.583 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001271146609 941288233 /nfs/dbraw/zinc/28/82/33/941288233.db2.gz WWEKDXGWDBGFTO-PBHICJAKSA-N 2 1 318.421 0.583 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001271174729 941313953 /nfs/dbraw/zinc/31/39/53/941313953.db2.gz KSOCTSPGZUIKTC-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271174729 941313956 /nfs/dbraw/zinc/31/39/56/941313956.db2.gz KSOCTSPGZUIKTC-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271174729 941313958 /nfs/dbraw/zinc/31/39/58/941313958.db2.gz KSOCTSPGZUIKTC-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001271932231 941483528 /nfs/dbraw/zinc/48/35/28/941483528.db2.gz OEHSJKVKKBMWEF-KRWDZBQOSA-N 2 1 320.481 0.664 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001482991482 941761558 /nfs/dbraw/zinc/76/15/58/941761558.db2.gz RTWVPTUSXFLXRC-BUHQSOCUSA-N 2 1 308.426 0.033 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001083647893 942386216 /nfs/dbraw/zinc/38/62/16/942386216.db2.gz YPRSOXKPXMRCAL-ZBFHGGJFSA-N 2 1 318.421 0.499 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001083647893 942386220 /nfs/dbraw/zinc/38/62/20/942386220.db2.gz YPRSOXKPXMRCAL-ZBFHGGJFSA-N 2 1 318.421 0.499 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001127066286 942423416 /nfs/dbraw/zinc/42/34/16/942423416.db2.gz LENQKCYVRAHGMF-GJZGRUSLSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001483915687 943020454 /nfs/dbraw/zinc/02/04/54/943020454.db2.gz HRULERDIVXWCJZ-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001483988618 943073125 /nfs/dbraw/zinc/07/31/25/943073125.db2.gz HTQFTOWIUKLTSK-JKSUJKDBSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001484436928 943383171 /nfs/dbraw/zinc/38/31/71/943383171.db2.gz KDMFHBSNDLWHBB-JZXOWHBKSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001484436928 943383175 /nfs/dbraw/zinc/38/31/75/943383175.db2.gz KDMFHBSNDLWHBB-JZXOWHBKSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001484436928 943383186 /nfs/dbraw/zinc/38/31/86/943383186.db2.gz KDMFHBSNDLWHBB-JZXOWHBKSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001484436928 943383192 /nfs/dbraw/zinc/38/31/92/943383192.db2.gz KDMFHBSNDLWHBB-JZXOWHBKSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001484473557 943411705 /nfs/dbraw/zinc/41/17/05/943411705.db2.gz YXJPNYUERHYHEM-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484841652 943591327 /nfs/dbraw/zinc/59/13/27/943591327.db2.gz PEQAQZPECOFHJA-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484841370 943591401 /nfs/dbraw/zinc/59/14/01/943591401.db2.gz HUSPACNNZLLEIR-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001484961072 943633244 /nfs/dbraw/zinc/63/32/44/943633244.db2.gz QAZGWZJHGITMCQ-UHFFFAOYSA-N 2 1 323.481 0.931 20 30 DCEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001485026769 943661590 /nfs/dbraw/zinc/66/15/90/943661590.db2.gz FZLZCLLXSHXGGW-UHFFFAOYSA-N 2 1 306.410 0.711 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001485773209 944129961 /nfs/dbraw/zinc/12/99/61/944129961.db2.gz REHHNSLBIKDGJA-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485773209 944129964 /nfs/dbraw/zinc/12/99/64/944129964.db2.gz REHHNSLBIKDGJA-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001485773209 944129968 /nfs/dbraw/zinc/12/99/68/944129968.db2.gz REHHNSLBIKDGJA-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC#CCOC)C2CC2)CC[N@H+]1C ZINC001276588524 944223935 /nfs/dbraw/zinc/22/39/35/944223935.db2.gz IWHZTGBNZMPPEW-YESZJQIVSA-N 2 1 321.465 0.851 20 30 DCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485998387 944473472 /nfs/dbraw/zinc/47/34/72/944473472.db2.gz WNIAVZNWTTVNFF-GJZGRUSLSA-N 2 1 309.454 0.894 20 30 DCEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001486050070 944532684 /nfs/dbraw/zinc/53/26/84/944532684.db2.gz KPMQHFDERRRKMK-HZPDHXFCSA-N 2 1 303.406 0.379 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001277423021 944812636 /nfs/dbraw/zinc/81/26/36/944812636.db2.gz LDYCBQWXSPYAOE-AWEZNQCLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=C(C)C[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277493893 944843620 /nfs/dbraw/zinc/84/36/20/944843620.db2.gz LRQZYVODRUBEIU-MRXNPFEDSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317521375 945017626 /nfs/dbraw/zinc/01/76/26/945017626.db2.gz CJWJPJHOOCYBTO-WBVHZDCISA-N 2 1 319.449 0.416 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246310058 945381797 /nfs/dbraw/zinc/38/17/97/945381797.db2.gz YMMGGRSFXJIZQE-STQMWFEESA-N 3 1 313.467 0.650 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001319410643 945579101 /nfs/dbraw/zinc/57/91/01/945579101.db2.gz FNJKHRHRIMSXQX-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001319410643 945579113 /nfs/dbraw/zinc/57/91/13/945579113.db2.gz FNJKHRHRIMSXQX-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC001320090839 945737894 /nfs/dbraw/zinc/73/78/94/945737894.db2.gz QBKIRSNZYOVIMO-MRXNPFEDSA-N 2 1 321.465 0.758 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001279035208 946752693 /nfs/dbraw/zinc/75/26/93/946752693.db2.gz SLWGQXLXMJGDLU-GJZGRUSLSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001279035208 946752703 /nfs/dbraw/zinc/75/27/03/946752703.db2.gz SLWGQXLXMJGDLU-GJZGRUSLSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)C[N@H+](C)CCC)C2)CC1 ZINC001324353943 947396512 /nfs/dbraw/zinc/39/65/12/947396512.db2.gz YPUCMARVZZUPEI-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001325864733 947958720 /nfs/dbraw/zinc/95/87/20/947958720.db2.gz HXQBMTNLMUWMHB-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001325864733 947958733 /nfs/dbraw/zinc/95/87/33/947958733.db2.gz HXQBMTNLMUWMHB-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP C=CC[NH2+]CC1(NC(=O)c2cc(C[NH+](C)C)on2)CCOCC1 ZINC001327645238 948581643 /nfs/dbraw/zinc/58/16/43/948581643.db2.gz DYVYKWMVWWNXQT-UHFFFAOYSA-N 2 1 322.409 0.791 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001328186272 948736335 /nfs/dbraw/zinc/73/63/35/948736335.db2.gz NEZQGOWDFIRFLR-INIZCTEOSA-N 2 1 321.465 0.685 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC#CCOC ZINC001264067770 948860808 /nfs/dbraw/zinc/86/08/08/948860808.db2.gz QKFHYRAGOAAPIR-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC#CCOC ZINC001264067770 948860826 /nfs/dbraw/zinc/86/08/26/948860826.db2.gz QKFHYRAGOAAPIR-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC#CCOC ZINC001264067770 948860830 /nfs/dbraw/zinc/86/08/30/948860830.db2.gz QKFHYRAGOAAPIR-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266152783 950425338 /nfs/dbraw/zinc/42/53/38/950425338.db2.gz ZZVLTFTYPLQYCI-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001266152783 950425350 /nfs/dbraw/zinc/42/53/50/950425350.db2.gz ZZVLTFTYPLQYCI-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001266152783 950425360 /nfs/dbraw/zinc/42/53/60/950425360.db2.gz ZZVLTFTYPLQYCI-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001279123265 950518172 /nfs/dbraw/zinc/51/81/72/950518172.db2.gz AYHHZGKPFPXBPY-HOCLYGCPSA-N 2 1 318.421 0.525 20 30 DCEDMP CC#CC[N@H+](CCCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001490387843 950630589 /nfs/dbraw/zinc/63/05/89/950630589.db2.gz QEPNFDIQEZQRIP-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[N@@H+](CCCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001490387843 950630602 /nfs/dbraw/zinc/63/06/02/950630602.db2.gz QEPNFDIQEZQRIP-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001490469819 950713550 /nfs/dbraw/zinc/71/35/50/950713550.db2.gz JZRVDTPKYAPHQK-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CCN1CCN(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001490494605 950747734 /nfs/dbraw/zinc/74/77/34/950747734.db2.gz LGXWOVPELYXEDL-DLBZAZTESA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001490494605 950747752 /nfs/dbraw/zinc/74/77/52/950747752.db2.gz LGXWOVPELYXEDL-DLBZAZTESA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001490494605 950747766 /nfs/dbraw/zinc/74/77/66/950747766.db2.gz LGXWOVPELYXEDL-DLBZAZTESA-N 2 1 318.465 0.370 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001490704148 951020250 /nfs/dbraw/zinc/02/02/50/951020250.db2.gz HRZXLIXREQPSMV-OAHLLOKOSA-N 2 1 304.394 0.326 20 30 DCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001331788602 951322068 /nfs/dbraw/zinc/32/20/68/951322068.db2.gz WVPKZDIKFZPBEV-ZIAGYGMSSA-N 2 1 306.410 0.397 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001332661949 951749366 /nfs/dbraw/zinc/74/93/66/951749366.db2.gz BBMRZRXABNPAQP-HNNXBMFYSA-N 2 1 311.470 0.739 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001332661949 951749372 /nfs/dbraw/zinc/74/93/72/951749372.db2.gz BBMRZRXABNPAQP-HNNXBMFYSA-N 2 1 311.470 0.739 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001332661949 951749379 /nfs/dbraw/zinc/74/93/79/951749379.db2.gz BBMRZRXABNPAQP-HNNXBMFYSA-N 2 1 311.470 0.739 20 30 DCEDMP C[NH+](C)CCn1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cn1 ZINC001335484289 952543908 /nfs/dbraw/zinc/54/39/08/952543908.db2.gz NXQGBWABCCWGMS-UHFFFAOYSA-N 2 1 304.398 0.162 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275978080 952581443 /nfs/dbraw/zinc/58/14/43/952581443.db2.gz YELPTENLTPHIQB-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001275978080 952581445 /nfs/dbraw/zinc/58/14/45/952581445.db2.gz YELPTENLTPHIQB-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001275978080 952581447 /nfs/dbraw/zinc/58/14/47/952581447.db2.gz YELPTENLTPHIQB-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001275978080 952581451 /nfs/dbraw/zinc/58/14/51/952581451.db2.gz YELPTENLTPHIQB-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001282573665 953626872 /nfs/dbraw/zinc/62/68/72/953626872.db2.gz QXEHSQBIWTXJTA-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001282573665 953626881 /nfs/dbraw/zinc/62/68/81/953626881.db2.gz QXEHSQBIWTXJTA-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001282782032 953677633 /nfs/dbraw/zinc/67/76/33/953677633.db2.gz PASBVNJLLHSBCR-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001282782032 953677637 /nfs/dbraw/zinc/67/76/37/953677637.db2.gz PASBVNJLLHSBCR-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001282782032 953677639 /nfs/dbraw/zinc/67/76/39/953677639.db2.gz PASBVNJLLHSBCR-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001282782032 953677643 /nfs/dbraw/zinc/67/76/43/953677643.db2.gz PASBVNJLLHSBCR-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001283051720 953957374 /nfs/dbraw/zinc/95/73/74/953957374.db2.gz RDKXHCZURLYHFU-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001283080502 953986136 /nfs/dbraw/zinc/98/61/36/953986136.db2.gz RNGAWEMZPDCCPW-JYJNAYRXSA-N 2 1 307.438 0.462 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001284520115 955152956 /nfs/dbraw/zinc/15/29/56/955152956.db2.gz OKWFWHYMURSCTL-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001284520115 955152959 /nfs/dbraw/zinc/15/29/59/955152959.db2.gz OKWFWHYMURSCTL-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001284520115 955152966 /nfs/dbraw/zinc/15/29/66/955152966.db2.gz OKWFWHYMURSCTL-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001284520115 955152979 /nfs/dbraw/zinc/15/29/79/955152979.db2.gz OKWFWHYMURSCTL-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001284520115 955152987 /nfs/dbraw/zinc/15/29/87/955152987.db2.gz OKWFWHYMURSCTL-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1C#N ZINC001367598367 958149365 /nfs/dbraw/zinc/14/93/65/958149365.db2.gz CDHHBPFMDDEULB-OAHLLOKOSA-N 2 1 322.384 0.216 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001491748039 959176052 /nfs/dbraw/zinc/17/60/52/959176052.db2.gz SMLBRMPRMCWDLZ-KKUMJFAQSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001491757101 959190309 /nfs/dbraw/zinc/19/03/09/959190309.db2.gz LCCWFTNDDMRHMM-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001377161672 959601790 /nfs/dbraw/zinc/60/17/90/959601790.db2.gz ZEYJFCODMDMKEB-ZFWWWQNUSA-N 2 1 315.845 0.776 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001493253613 959804188 /nfs/dbraw/zinc/80/41/88/959804188.db2.gz CZEZNHUAABOAMB-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC#CC[NH+](C)C ZINC001313439951 960304473 /nfs/dbraw/zinc/30/44/73/960304473.db2.gz ZADNNBFHECJJOZ-AWEZNQCLSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001316747476 960362154 /nfs/dbraw/zinc/36/21/54/960362154.db2.gz JACJYKYMIJBJKD-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001316747476 960362163 /nfs/dbraw/zinc/36/21/63/960362163.db2.gz JACJYKYMIJBJKD-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001316747476 960362174 /nfs/dbraw/zinc/36/21/74/960362174.db2.gz JACJYKYMIJBJKD-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001316746375 960362333 /nfs/dbraw/zinc/36/23/33/960362333.db2.gz BBRTVKRCGCOFSR-INIZCTEOSA-N 2 1 318.421 0.500 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001316746375 960362339 /nfs/dbraw/zinc/36/23/39/960362339.db2.gz BBRTVKRCGCOFSR-INIZCTEOSA-N 2 1 318.421 0.500 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001369468994 965030709 /nfs/dbraw/zinc/03/07/09/965030709.db2.gz PXCIQOKYGUMEMU-GFCCVEGCSA-N 2 1 300.790 0.353 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001448495900 1013931873 /nfs/dbraw/zinc/93/18/73/1013931873.db2.gz GBDNODJDSGHOQN-JHJVBQTASA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001448495900 1013931876 /nfs/dbraw/zinc/93/18/76/1013931876.db2.gz GBDNODJDSGHOQN-JHJVBQTASA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001394651252 993968427 /nfs/dbraw/zinc/96/84/27/993968427.db2.gz ZWLIZLPDULGDRX-CHWSQXEVSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001394651252 993968420 /nfs/dbraw/zinc/96/84/20/993968420.db2.gz ZWLIZLPDULGDRX-CHWSQXEVSA-N 2 1 303.834 0.680 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507091628 1015977669 /nfs/dbraw/zinc/97/76/69/1015977669.db2.gz FXUMEQFBIAEMMT-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001507231205 1016154579 /nfs/dbraw/zinc/15/45/79/1016154579.db2.gz YDXPGUUGHLXTCG-DOTOQJQBSA-N 2 1 321.465 0.874 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C#N ZINC001401497845 1000454129 /nfs/dbraw/zinc/45/41/29/1000454129.db2.gz MLMRJVHOSVVZAN-CVEARBPZSA-N 2 1 316.405 0.219 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001420090917 1001839324 /nfs/dbraw/zinc/83/93/24/1001839324.db2.gz AXVZJFLBZLHKNX-FZMZJTMJSA-N 2 1 322.434 0.281 20 30 DCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001507704942 1016538153 /nfs/dbraw/zinc/53/81/53/1016538153.db2.gz FLBUBOCWMRUPEG-HNNXBMFYSA-N 2 1 320.437 0.781 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001507704942 1016538168 /nfs/dbraw/zinc/53/81/68/1016538168.db2.gz FLBUBOCWMRUPEG-HNNXBMFYSA-N 2 1 320.437 0.781 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001508229891 1016726303 /nfs/dbraw/zinc/72/63/03/1016726303.db2.gz OMWOHHAVONXOCR-OAHLLOKOSA-N 2 1 305.422 0.336 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001438704568 1006048138 /nfs/dbraw/zinc/04/81/38/1006048138.db2.gz RNKWSMULDJGFPX-ZDUSSCGKSA-N 2 1 303.834 0.898 20 30 DCEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001439201885 1006572233 /nfs/dbraw/zinc/57/22/33/1006572233.db2.gz WHEJGQHUSUDVHB-BBRMVZONSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001439201885 1006572241 /nfs/dbraw/zinc/57/22/41/1006572241.db2.gz WHEJGQHUSUDVHB-BBRMVZONSA-N 2 1 316.405 0.483 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001422419552 1010054119 /nfs/dbraw/zinc/05/41/19/1010054119.db2.gz NSFFKHCFENCRKC-INIZCTEOSA-N 2 1 318.421 0.465 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001506752178 1017506187 /nfs/dbraw/zinc/50/61/87/1017506187.db2.gz HUTUQBROEOOGAN-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497191753 1017957827 /nfs/dbraw/zinc/95/78/27/1017957827.db2.gz CZNKURQTHHZGMV-BFHYXJOUSA-N 2 1 310.442 0.113 20 30 DCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001479923237 1017981757 /nfs/dbraw/zinc/98/17/57/1017981757.db2.gz TVXYANQDSPQKTD-MRXNPFEDSA-N 2 1 321.469 0.508 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001479923237 1017981764 /nfs/dbraw/zinc/98/17/64/1017981764.db2.gz TVXYANQDSPQKTD-MRXNPFEDSA-N 2 1 321.469 0.508 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001479939693 1018008367 /nfs/dbraw/zinc/00/83/67/1018008367.db2.gz DQGFUHALSMPWGB-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001499926858 1018138571 /nfs/dbraw/zinc/13/85/71/1018138571.db2.gz UIVIUVFTMGNXQL-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001480088230 1018193665 /nfs/dbraw/zinc/19/36/65/1018193665.db2.gz WDEZXQUKRMISBK-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001480088229 1018193983 /nfs/dbraw/zinc/19/39/83/1018193983.db2.gz WDEZXQUKRMISBK-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCOC)C1CCCC1 ZINC001500094300 1018218713 /nfs/dbraw/zinc/21/87/13/1018218713.db2.gz CHQOKEKBDJYHLM-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCOC)C1CCCC1 ZINC001500094300 1018218726 /nfs/dbraw/zinc/21/87/26/1018218726.db2.gz CHQOKEKBDJYHLM-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001480139623 1018245515 /nfs/dbraw/zinc/24/55/15/1018245515.db2.gz YDZYGURMYKIDIX-JYJNAYRXSA-N 2 1 307.438 0.746 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495297968 1018451972 /nfs/dbraw/zinc/45/19/72/1018451972.db2.gz HJSXPISMNLUHKM-RHSMWYFYSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CC(C)C)C2)CC1 ZINC001500766917 1018644724 /nfs/dbraw/zinc/64/47/24/1018644724.db2.gz VDZUBZLQUWUGBF-SFHVURJKSA-N 2 1 321.465 0.541 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480708879 1018795553 /nfs/dbraw/zinc/79/55/53/1018795553.db2.gz HYKYVTDPCRFUEF-LSDHHAIUSA-N 2 1 324.469 0.646 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498457839 1019138400 /nfs/dbraw/zinc/13/84/00/1019138400.db2.gz OLWCKROAMMYXFS-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498457839 1019138407 /nfs/dbraw/zinc/13/84/07/1019138407.db2.gz OLWCKROAMMYXFS-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001493212024 1019208961 /nfs/dbraw/zinc/20/89/61/1019208961.db2.gz USMCZDHITSUFJL-SJORKVTESA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001493212024 1019208969 /nfs/dbraw/zinc/20/89/69/1019208969.db2.gz USMCZDHITSUFJL-SJORKVTESA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001493212024 1019208977 /nfs/dbraw/zinc/20/89/77/1019208977.db2.gz USMCZDHITSUFJL-SJORKVTESA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001493212024 1019208985 /nfs/dbraw/zinc/20/89/85/1019208985.db2.gz USMCZDHITSUFJL-SJORKVTESA-N 2 1 317.433 0.172 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001493252944 1019254137 /nfs/dbraw/zinc/25/41/37/1019254137.db2.gz AZXCZBVLMGRGIM-CVEARBPZSA-N 2 1 309.454 0.661 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001494330413 1020133695 /nfs/dbraw/zinc/13/36/95/1020133695.db2.gz RVKXBAHYACPXOT-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001494330413 1020133700 /nfs/dbraw/zinc/13/37/00/1020133700.db2.gz RVKXBAHYACPXOT-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494330413 1020133711 /nfs/dbraw/zinc/13/37/11/1020133711.db2.gz RVKXBAHYACPXOT-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494330413 1020133727 /nfs/dbraw/zinc/13/37/27/1020133727.db2.gz RVKXBAHYACPXOT-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001660939180 1174071468 /nfs/dbraw/zinc/07/14/68/1174071468.db2.gz SGWRBELPKPGOMK-UHFFFAOYSA-N 2 1 306.454 0.085 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001663538091 1174316874 /nfs/dbraw/zinc/31/68/74/1174316874.db2.gz YAKOAZHHMJQMRK-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(CO)c(F)c1 ZINC000264112615 238190722 /nfs/dbraw/zinc/19/07/22/238190722.db2.gz RLNFYTSJZUIYED-UHFFFAOYSA-N 2 1 324.400 0.445 20 30 DCEDMP Cc1cccc([C@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000268980893 238253626 /nfs/dbraw/zinc/25/36/26/238253626.db2.gz RIRYZXCKVWOVBQ-MRXNPFEDSA-N 2 1 320.437 0.655 20 30 DCEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273038237 238286485 /nfs/dbraw/zinc/28/64/85/238286485.db2.gz ZCQGMLKYSHIBCE-BBRMVZONSA-N 2 1 320.437 0.692 20 30 DCEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273038241 238287559 /nfs/dbraw/zinc/28/75/59/238287559.db2.gz ZCQGMLKYSHIBCE-XJKSGUPXSA-N 2 1 320.437 0.692 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCCO[C@H](C(C)C)C2)CC1 ZINC000491210415 241109575 /nfs/dbraw/zinc/10/95/75/241109575.db2.gz UAEWDLMRDQJDDJ-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCN1CCN(C(=O)CN2CCCO[C@H](C(C)C)C2)CC1 ZINC000491210415 241109579 /nfs/dbraw/zinc/10/95/79/241109579.db2.gz UAEWDLMRDQJDDJ-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000066497958 396009422 /nfs/dbraw/zinc/00/94/22/396009422.db2.gz WGTBUFGOOXPJTE-KBPBESRZSA-N 2 1 308.426 0.447 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329310917 396843083 /nfs/dbraw/zinc/84/30/83/396843083.db2.gz QZGFSUDYJOAWOB-CQSZACIVSA-N 2 1 324.469 0.939 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458333979 397429064 /nfs/dbraw/zinc/42/90/64/397429064.db2.gz MAUCIPKLWHHTKN-INIZCTEOSA-N 2 1 324.469 0.783 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000343761897 415717361 /nfs/dbraw/zinc/71/73/61/415717361.db2.gz IOLAYKIWSOZQGK-UHFFFAOYSA-N 2 1 322.453 0.306 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCC[NH+](C)CC1 ZINC000303892474 416102863 /nfs/dbraw/zinc/10/28/63/416102863.db2.gz RFGHOYHIJRHAIR-OAHLLOKOSA-N 3 1 310.490 0.013 20 30 DCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303892474 416102865 /nfs/dbraw/zinc/10/28/65/416102865.db2.gz RFGHOYHIJRHAIR-OAHLLOKOSA-N 3 1 310.490 0.013 20 30 DCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303892474 416102867 /nfs/dbraw/zinc/10/28/67/416102867.db2.gz RFGHOYHIJRHAIR-OAHLLOKOSA-N 3 1 310.490 0.013 20 30 DCEDMP CCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329380778 416166575 /nfs/dbraw/zinc/16/65/75/416166575.db2.gz PZHBECHTGXPYGP-HNNXBMFYSA-N 2 1 311.474 0.610 20 30 DCEDMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329429621 416169797 /nfs/dbraw/zinc/16/97/97/416169797.db2.gz HXVQZSOAJVYVKR-OAHLLOKOSA-N 2 1 311.474 0.609 20 30 DCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000329240142 416158006 /nfs/dbraw/zinc/15/80/06/416158006.db2.gz MLOMKMCHTSUJNO-KKUMJFAQSA-N 2 1 324.469 0.772 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000329240142 416158009 /nfs/dbraw/zinc/15/80/09/416158009.db2.gz MLOMKMCHTSUJNO-KKUMJFAQSA-N 2 1 324.469 0.772 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000329240142 416158012 /nfs/dbraw/zinc/15/80/12/416158012.db2.gz MLOMKMCHTSUJNO-KKUMJFAQSA-N 2 1 324.469 0.772 20 30 DCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000329336764 416163987 /nfs/dbraw/zinc/16/39/87/416163987.db2.gz MASSJNIUVZISTO-CQSZACIVSA-N 2 1 311.474 0.468 20 30 DCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000329353343 416165823 /nfs/dbraw/zinc/16/58/23/416165823.db2.gz GANDWVBVXYEQEW-RBSFLKMASA-N 2 1 309.458 0.363 20 30 DCEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329353343 416165825 /nfs/dbraw/zinc/16/58/25/416165825.db2.gz GANDWVBVXYEQEW-RBSFLKMASA-N 2 1 309.458 0.363 20 30 DCEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329353343 416165829 /nfs/dbraw/zinc/16/58/29/416165829.db2.gz GANDWVBVXYEQEW-RBSFLKMASA-N 2 1 309.458 0.363 20 30 DCEDMP C=CC[C@]1(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662758889 417895557 /nfs/dbraw/zinc/89/55/57/417895557.db2.gz VASVDNDCAKYQEN-DOTOQJQBSA-N 2 1 308.470 0.684 20 30 DCEDMP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000661620458 418352201 /nfs/dbraw/zinc/35/22/01/418352201.db2.gz AJHCKUHZNSQKIQ-JLOCXQCDSA-N 2 1 308.466 0.887 20 30 DCEDMP CC(C)C[NH+]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CC2)CC1 ZINC000262296661 278885110 /nfs/dbraw/zinc/88/51/10/278885110.db2.gz ZUMOTHWDNKVIRF-UHFFFAOYSA-N 2 1 309.458 0.456 20 30 DCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1C ZINC000329852073 290087291 /nfs/dbraw/zinc/08/72/91/290087291.db2.gz RFWGXPBOWPMKRR-MELADBBJSA-N 2 1 310.442 0.524 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000329852073 290087296 /nfs/dbraw/zinc/08/72/96/290087296.db2.gz RFWGXPBOWPMKRR-MELADBBJSA-N 2 1 310.442 0.524 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C ZINC000329852073 290087299 /nfs/dbraw/zinc/08/72/99/290087299.db2.gz RFWGXPBOWPMKRR-MELADBBJSA-N 2 1 310.442 0.524 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569759055 1161228325 /nfs/dbraw/zinc/22/83/25/1161228325.db2.gz GQVNNVQLCHRVID-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158433792 526382494 /nfs/dbraw/zinc/38/24/94/526382494.db2.gz HYIAPVUZMWSTGM-AAEUAGOBSA-N 2 1 321.425 0.772 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262326554 526382641 /nfs/dbraw/zinc/38/26/41/526382641.db2.gz ACARMELIEWXIPK-SNVBAGLBSA-N 2 1 305.382 0.280 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262326554 526382646 /nfs/dbraw/zinc/38/26/46/526382646.db2.gz ACARMELIEWXIPK-SNVBAGLBSA-N 2 1 305.382 0.280 20 30 DCEDMP CC1CC[NH+](CCNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329388150 546047497 /nfs/dbraw/zinc/04/74/97/546047497.db2.gz TXUBAKQBBKEHOK-HNNXBMFYSA-N 2 1 311.474 0.468 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001665737577 1174559085 /nfs/dbraw/zinc/55/90/85/1174559085.db2.gz LGXZIXAWOWIHAI-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001665737577 1174559093 /nfs/dbraw/zinc/55/90/93/1174559093.db2.gz LGXZIXAWOWIHAI-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027547000 660411616 /nfs/dbraw/zinc/41/16/16/660411616.db2.gz OWYPLCOSGFXMBK-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027547000 660411617 /nfs/dbraw/zinc/41/16/17/660411617.db2.gz OWYPLCOSGFXMBK-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547000 660411618 /nfs/dbraw/zinc/41/16/18/660411618.db2.gz OWYPLCOSGFXMBK-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547000 660411619 /nfs/dbraw/zinc/41/16/19/660411619.db2.gz OWYPLCOSGFXMBK-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634741 660576317 /nfs/dbraw/zinc/57/63/17/660576317.db2.gz HJMSOICYWNCLHO-LVQVYYBASA-N 2 1 307.438 0.576 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634741 660576319 /nfs/dbraw/zinc/57/63/19/660576319.db2.gz HJMSOICYWNCLHO-LVQVYYBASA-N 2 1 307.438 0.576 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634741 660576321 /nfs/dbraw/zinc/57/63/21/660576321.db2.gz HJMSOICYWNCLHO-LVQVYYBASA-N 2 1 307.438 0.576 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979076017 660655448 /nfs/dbraw/zinc/65/54/48/660655448.db2.gz XYMWXKKVWDFKDF-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979076017 660655449 /nfs/dbraw/zinc/65/54/49/660655449.db2.gz XYMWXKKVWDFKDF-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979076017 660655450 /nfs/dbraw/zinc/65/54/50/660655450.db2.gz XYMWXKKVWDFKDF-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979076017 660655451 /nfs/dbraw/zinc/65/54/51/660655451.db2.gz XYMWXKKVWDFKDF-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])N2CCCCCC2)C1 ZINC000126043336 661268824 /nfs/dbraw/zinc/26/88/24/661268824.db2.gz DYPUPLGUNDXPRH-CQSZACIVSA-N 2 1 309.458 0.765 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028195606 661270430 /nfs/dbraw/zinc/27/04/30/661270430.db2.gz RZYBJNMMPFILBP-INIZCTEOSA-N 2 1 317.437 0.662 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020406216 657526534 /nfs/dbraw/zinc/52/65/34/657526534.db2.gz NEXHUVLRQGTLMQ-VXSWHIBVSA-N 2 1 305.422 0.663 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891921313 657917922 /nfs/dbraw/zinc/91/79/22/657917922.db2.gz MTSBYEVVUIAOMP-GFCCVEGCSA-N 2 1 302.369 0.486 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891921013 657920040 /nfs/dbraw/zinc/92/00/40/657920040.db2.gz HQQIFAOZHLQPQE-KRWDZBQOSA-N 2 1 314.433 0.955 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C[C@H](C)O)C2)CC1 ZINC001023762124 658217858 /nfs/dbraw/zinc/21/78/58/658217858.db2.gz ROLVVMWGXJWVRY-HOTGVXAUSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977614346 659785981 /nfs/dbraw/zinc/78/59/81/659785981.db2.gz KCDBWYPBFXURAQ-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977614346 659785984 /nfs/dbraw/zinc/78/59/84/659785984.db2.gz KCDBWYPBFXURAQ-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614346 659785988 /nfs/dbraw/zinc/78/59/88/659785988.db2.gz KCDBWYPBFXURAQ-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614346 659785991 /nfs/dbraw/zinc/78/59/91/659785991.db2.gz KCDBWYPBFXURAQ-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536495 665789370 /nfs/dbraw/zinc/78/93/70/665789370.db2.gz NIOUDSICTASXEC-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536495 665789373 /nfs/dbraw/zinc/78/93/73/665789373.db2.gz NIOUDSICTASXEC-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536495 665789375 /nfs/dbraw/zinc/78/93/75/665789375.db2.gz NIOUDSICTASXEC-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536495 665789377 /nfs/dbraw/zinc/78/93/77/665789377.db2.gz NIOUDSICTASXEC-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536495 665789378 /nfs/dbraw/zinc/78/93/78/665789378.db2.gz NIOUDSICTASXEC-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536721 665790486 /nfs/dbraw/zinc/79/04/86/665790486.db2.gz VUEYKLLTCQVLLS-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536721 665790488 /nfs/dbraw/zinc/79/04/88/665790488.db2.gz VUEYKLLTCQVLLS-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536721 665790490 /nfs/dbraw/zinc/79/04/90/665790490.db2.gz VUEYKLLTCQVLLS-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536721 665790492 /nfs/dbraw/zinc/79/04/92/665790492.db2.gz VUEYKLLTCQVLLS-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC000896488635 662274151 /nfs/dbraw/zinc/27/41/51/662274151.db2.gz JTUFCQBZAGKGPW-INMHGKMJSA-N 2 1 304.438 0.677 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC000896488635 662274154 /nfs/dbraw/zinc/27/41/54/662274154.db2.gz JTUFCQBZAGKGPW-INMHGKMJSA-N 2 1 304.438 0.677 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC000896488635 662274155 /nfs/dbraw/zinc/27/41/55/662274155.db2.gz JTUFCQBZAGKGPW-INMHGKMJSA-N 2 1 304.438 0.677 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC000896488635 662274158 /nfs/dbraw/zinc/27/41/58/662274158.db2.gz JTUFCQBZAGKGPW-INMHGKMJSA-N 2 1 304.438 0.677 20 30 DCEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000985469858 662463469 /nfs/dbraw/zinc/46/34/69/662463469.db2.gz IHPNQLPMKBVBQV-MRXNPFEDSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000985469858 662463470 /nfs/dbraw/zinc/46/34/70/662463470.db2.gz IHPNQLPMKBVBQV-MRXNPFEDSA-N 2 1 319.453 0.922 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000986569460 662600694 /nfs/dbraw/zinc/60/06/94/662600694.db2.gz LRRWXIZFZWKZGE-KGLIPLIRSA-N 2 1 300.406 0.974 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898631064 663100871 /nfs/dbraw/zinc/10/08/71/663100871.db2.gz PKHLBCBMBSGHTR-KRWDZBQOSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898631064 663100873 /nfs/dbraw/zinc/10/08/73/663100873.db2.gz PKHLBCBMBSGHTR-KRWDZBQOSA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345345 665978295 /nfs/dbraw/zinc/97/82/95/665978295.db2.gz SFPIGGFXJFAOML-MRXNPFEDSA-N 2 1 306.454 0.485 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345345 665978296 /nfs/dbraw/zinc/97/82/96/665978296.db2.gz SFPIGGFXJFAOML-MRXNPFEDSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906774160 663640611 /nfs/dbraw/zinc/64/06/11/663640611.db2.gz VLCMEUWVCZQBTF-UHFFFAOYSA-N 2 1 306.454 0.084 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941413690 665993747 /nfs/dbraw/zinc/99/37/47/665993747.db2.gz DWYVYCRABWGEAX-GDBMZVCRSA-N 2 1 306.454 0.341 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941413690 665993748 /nfs/dbraw/zinc/99/37/48/665993748.db2.gz DWYVYCRABWGEAX-GDBMZVCRSA-N 2 1 306.454 0.341 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000911750303 664105798 /nfs/dbraw/zinc/10/57/98/664105798.db2.gz ABUNCCDVGNLBBU-ZDUSSCGKSA-N 2 1 315.373 0.757 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000913517876 664337581 /nfs/dbraw/zinc/33/75/81/664337581.db2.gz TWKPEVNPUHQPDK-QGZVFWFLSA-N 2 1 314.433 0.975 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCOCC1(C)C ZINC000170914954 664595416 /nfs/dbraw/zinc/59/54/16/664595416.db2.gz KRJZVFJLPPGZKN-AWEZNQCLSA-N 2 1 311.474 0.486 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCO)CC3)CC1 ZINC000992513154 664730590 /nfs/dbraw/zinc/73/05/90/664730590.db2.gz VPXBUQMQMBUEKV-AEFFLSMTSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000923598044 665067965 /nfs/dbraw/zinc/06/79/65/665067965.db2.gz RTSVGOXZUVPHBW-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000923598044 665067968 /nfs/dbraw/zinc/06/79/68/665067968.db2.gz RTSVGOXZUVPHBW-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H](CC)OC)C2)CC1 ZINC001031435136 665149755 /nfs/dbraw/zinc/14/97/55/665149755.db2.gz QPVRBHRKGFIIBI-MRXNPFEDSA-N 2 1 307.438 0.557 20 30 DCEDMP C[NH+]=C(NCC(=O)NC1CCCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083096623 666610756 /nfs/dbraw/zinc/61/07/56/666610756.db2.gz BVQNFLKHMLICRO-AWEZNQCLSA-N 2 1 321.469 0.837 20 30 DCEDMP C[NH+]=C(NCC(=O)NC1CCCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083096623 666610758 /nfs/dbraw/zinc/61/07/58/666610758.db2.gz BVQNFLKHMLICRO-AWEZNQCLSA-N 2 1 321.469 0.837 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278510 666658892 /nfs/dbraw/zinc/65/88/92/666658892.db2.gz POMVKSJNHABXKA-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278510 666658895 /nfs/dbraw/zinc/65/88/95/666658895.db2.gz POMVKSJNHABXKA-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278510 666658897 /nfs/dbraw/zinc/65/88/97/666658897.db2.gz POMVKSJNHABXKA-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278157 666659227 /nfs/dbraw/zinc/65/92/27/666659227.db2.gz MUUOTPWQQQLONS-DGNOSDGRSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278157 666659228 /nfs/dbraw/zinc/65/92/28/666659228.db2.gz MUUOTPWQQQLONS-DGNOSDGRSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278157 666659229 /nfs/dbraw/zinc/65/92/29/666659229.db2.gz MUUOTPWQQQLONS-DGNOSDGRSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278157 666659230 /nfs/dbraw/zinc/65/92/30/666659230.db2.gz MUUOTPWQQQLONS-DGNOSDGRSA-N 2 1 303.406 0.016 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279969 666659969 /nfs/dbraw/zinc/65/99/69/666659969.db2.gz YPEJIYXDVWMQPQ-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279969 666659971 /nfs/dbraw/zinc/65/99/71/666659971.db2.gz YPEJIYXDVWMQPQ-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279969 666659974 /nfs/dbraw/zinc/65/99/74/666659974.db2.gz YPEJIYXDVWMQPQ-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001033684369 666795459 /nfs/dbraw/zinc/79/54/59/666795459.db2.gz NVSYLMRHZVLNJV-RDJZCZTQSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCN1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905444 666864243 /nfs/dbraw/zinc/86/42/43/666864243.db2.gz LEYADBDOYMSNDN-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905444 666864247 /nfs/dbraw/zinc/86/42/47/666864247.db2.gz LEYADBDOYMSNDN-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905444 666864250 /nfs/dbraw/zinc/86/42/50/666864250.db2.gz LEYADBDOYMSNDN-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905444 666864257 /nfs/dbraw/zinc/86/42/57/666864257.db2.gz LEYADBDOYMSNDN-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001034045759 666907137 /nfs/dbraw/zinc/90/71/37/666907137.db2.gz MQDCDSUXFUUBCX-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035371412 667309078 /nfs/dbraw/zinc/30/90/78/667309078.db2.gz SRTHTFYHZNCNGC-JKSUJKDBSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035371412 667309080 /nfs/dbraw/zinc/30/90/80/667309080.db2.gz SRTHTFYHZNCNGC-JKSUJKDBSA-N 2 1 307.438 0.721 20 30 DCEDMP N#Cc1cc(F)ccc1N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000866703709 667388752 /nfs/dbraw/zinc/38/87/52/667388752.db2.gz OWJGEZZAKFVZKY-UHFFFAOYSA-N 2 1 317.412 0.725 20 30 DCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005883170 667458155 /nfs/dbraw/zinc/45/81/55/667458155.db2.gz PKKNCKUAPBYSQK-MRXNPFEDSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005883170 667458156 /nfs/dbraw/zinc/45/81/56/667458156.db2.gz PKKNCKUAPBYSQK-MRXNPFEDSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000884161329 667486730 /nfs/dbraw/zinc/48/67/30/667486730.db2.gz COYRCSBSGHXBIG-HOTGVXAUSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000884161329 667486733 /nfs/dbraw/zinc/48/67/33/667486733.db2.gz COYRCSBSGHXBIG-HOTGVXAUSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000884161329 667486736 /nfs/dbraw/zinc/48/67/36/667486736.db2.gz COYRCSBSGHXBIG-HOTGVXAUSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000884161329 667486739 /nfs/dbraw/zinc/48/67/39/667486739.db2.gz COYRCSBSGHXBIG-HOTGVXAUSA-N 2 1 304.438 0.868 20 30 DCEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923515799 667551966 /nfs/dbraw/zinc/55/19/66/667551966.db2.gz MLIBESWQOVIGPR-ARFHVFGLSA-N 2 1 301.390 0.839 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000838622831 667701160 /nfs/dbraw/zinc/70/11/60/667701160.db2.gz PNCMMRQTMTXCQV-JKSUJKDBSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)COC)C1 ZINC001691446796 1157775565 /nfs/dbraw/zinc/77/55/65/1157775565.db2.gz FPIUQWSFGHRNAJ-WCVJEAGWSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)COC)C1 ZINC001691446796 1157775568 /nfs/dbraw/zinc/77/55/68/1157775568.db2.gz FPIUQWSFGHRNAJ-WCVJEAGWSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000890370930 668124180 /nfs/dbraw/zinc/12/41/80/668124180.db2.gz IZFVGIQKPDIELC-MRXNPFEDSA-N 3 1 323.485 0.219 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000890370930 668124183 /nfs/dbraw/zinc/12/41/83/668124183.db2.gz IZFVGIQKPDIELC-MRXNPFEDSA-N 3 1 323.485 0.219 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000876774367 668508177 /nfs/dbraw/zinc/50/81/77/668508177.db2.gz TXKGRGPYPCOBBO-GFCCVEGCSA-N 2 1 316.833 0.079 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000876913304 668534878 /nfs/dbraw/zinc/53/48/78/668534878.db2.gz CPZHYAKAZCAABN-RUXDESIVSA-N 2 1 314.861 0.789 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000948448512 670115621 /nfs/dbraw/zinc/11/56/21/670115621.db2.gz DSBGSINMTAFDIJ-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000948448512 670115625 /nfs/dbraw/zinc/11/56/25/670115625.db2.gz DSBGSINMTAFDIJ-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCCO)CC1 ZINC000948448512 670115628 /nfs/dbraw/zinc/11/56/28/670115628.db2.gz DSBGSINMTAFDIJ-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCCO)CC1 ZINC000948448512 670115633 /nfs/dbraw/zinc/11/56/33/670115633.db2.gz DSBGSINMTAFDIJ-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000948541192 670127297 /nfs/dbraw/zinc/12/72/97/670127297.db2.gz DMPJDVDGVKKENR-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948541192 670127299 /nfs/dbraw/zinc/12/72/99/670127299.db2.gz DMPJDVDGVKKENR-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948541192 670127301 /nfs/dbraw/zinc/12/73/01/670127301.db2.gz DMPJDVDGVKKENR-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541192 670127305 /nfs/dbraw/zinc/12/73/05/670127305.db2.gz DMPJDVDGVKKENR-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000949320946 670312086 /nfs/dbraw/zinc/31/20/86/670312086.db2.gz XNFQNABHIALPIE-HNNXBMFYSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949320946 670312088 /nfs/dbraw/zinc/31/20/88/670312088.db2.gz XNFQNABHIALPIE-HNNXBMFYSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949320946 670312090 /nfs/dbraw/zinc/31/20/90/670312090.db2.gz XNFQNABHIALPIE-HNNXBMFYSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949320946 670312092 /nfs/dbraw/zinc/31/20/92/670312092.db2.gz XNFQNABHIALPIE-HNNXBMFYSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000847182254 670523567 /nfs/dbraw/zinc/52/35/67/670523567.db2.gz PDERBVVOPVXLJU-OAGGEKHMSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000847182254 670523569 /nfs/dbraw/zinc/52/35/69/670523569.db2.gz PDERBVVOPVXLJU-OAGGEKHMSA-N 2 1 321.465 0.946 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852856034 671175450 /nfs/dbraw/zinc/17/54/50/671175450.db2.gz SLKSGVDHLFJPPQ-INIZCTEOSA-N 2 1 307.438 0.462 20 30 DCEDMP CC[NH+]1CCN(CCCCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873081 671181628 /nfs/dbraw/zinc/18/16/28/671181628.db2.gz OSAOTSPWNIPRIP-UHFFFAOYSA-N 2 1 320.481 0.523 20 30 DCEDMP [NH3+]Cc1nc(-c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)n[nH]1 ZINC000852879880 671183454 /nfs/dbraw/zinc/18/34/54/671183454.db2.gz XLALUUNADQADHQ-UHFFFAOYSA-N 2 1 324.388 0.872 20 30 DCEDMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852883926 671184771 /nfs/dbraw/zinc/18/47/71/671184771.db2.gz BGFZMDMBHLWETO-AWEZNQCLSA-N 2 1 321.421 0.085 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnns2)C1 ZINC001020250708 693746022 /nfs/dbraw/zinc/74/60/22/693746022.db2.gz MEUOUWSVXWUIAP-OBJOEFQTSA-N 2 1 319.434 0.373 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnns2)C1 ZINC001020250708 693746027 /nfs/dbraw/zinc/74/60/27/693746027.db2.gz MEUOUWSVXWUIAP-OBJOEFQTSA-N 2 1 319.434 0.373 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC#CCOC ZINC001733104938 1158714262 /nfs/dbraw/zinc/71/42/62/1158714262.db2.gz USXDIUWTOSUQGB-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000305888582 685217001 /nfs/dbraw/zinc/21/70/01/685217001.db2.gz ZRYBMKUNJRFYIX-GXTWGEPZSA-N 2 1 307.442 0.386 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958343501 687561851 /nfs/dbraw/zinc/56/18/51/687561851.db2.gz AQMZNKQHBSNYBW-GJZGRUSLSA-N 2 1 321.421 0.940 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481769 687695810 /nfs/dbraw/zinc/69/58/10/687695810.db2.gz RYDWRMHHOWNMMF-IRXDYDNUSA-N 2 1 315.417 0.404 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000960269675 688339987 /nfs/dbraw/zinc/33/99/87/688339987.db2.gz RTYYLBWPBSYPDM-VVLHAWIVSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000960269675 688339993 /nfs/dbraw/zinc/33/99/93/688339993.db2.gz RTYYLBWPBSYPDM-VVLHAWIVSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000960269675 688339999 /nfs/dbraw/zinc/33/99/99/688339999.db2.gz RTYYLBWPBSYPDM-VVLHAWIVSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962004985 688788329 /nfs/dbraw/zinc/78/83/29/688788329.db2.gz AVMLEYIJNJHROQ-ZSHCYNCHSA-N 2 1 315.421 0.128 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360106 690668899 /nfs/dbraw/zinc/66/88/99/690668899.db2.gz LANOMDLLFSDYFZ-CQSZACIVSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001018985857 693306765 /nfs/dbraw/zinc/30/67/65/693306765.db2.gz JCYGMGAJWSKODH-BBWFWOEESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001018985857 693306770 /nfs/dbraw/zinc/30/67/70/693306770.db2.gz JCYGMGAJWSKODH-BBWFWOEESA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179176 693724515 /nfs/dbraw/zinc/72/45/15/693724515.db2.gz RAIVTHTYOWBEEX-SYQHCUMBSA-N 2 1 313.829 0.839 20 30 DCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813004 694669203 /nfs/dbraw/zinc/66/92/03/694669203.db2.gz BDQSJUQOQXIOHB-HNNXBMFYSA-N 2 1 317.437 0.534 20 30 DCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813004 694669204 /nfs/dbraw/zinc/66/92/04/694669204.db2.gz BDQSJUQOQXIOHB-HNNXBMFYSA-N 2 1 317.437 0.534 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850431 694674953 /nfs/dbraw/zinc/67/49/53/694674953.db2.gz XKYJXEJLAREWKD-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850431 694674954 /nfs/dbraw/zinc/67/49/54/694674954.db2.gz XKYJXEJLAREWKD-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850431 694674956 /nfs/dbraw/zinc/67/49/56/694674956.db2.gz XKYJXEJLAREWKD-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850431 694674958 /nfs/dbraw/zinc/67/49/58/694674958.db2.gz XKYJXEJLAREWKD-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677898 694766280 /nfs/dbraw/zinc/76/62/80/694766280.db2.gz VUCSDUZVDXGYPQ-MRXNPFEDSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407379 695020174 /nfs/dbraw/zinc/02/01/74/695020174.db2.gz BMJWFXPSFLKLIN-GOEBONIOSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]C(C)C)CC1 ZINC001570415337 1162508387 /nfs/dbraw/zinc/50/83/87/1162508387.db2.gz TVCYPUMWXCECJH-HNNXBMFYSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]C(C)C)CC1 ZINC001570415337 1162508390 /nfs/dbraw/zinc/50/83/90/1162508390.db2.gz TVCYPUMWXCECJH-HNNXBMFYSA-N 2 1 307.438 0.436 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001571456915 1162767968 /nfs/dbraw/zinc/76/79/68/1162767968.db2.gz LLLNROLDKQKBCC-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001571525687 1162796227 /nfs/dbraw/zinc/79/62/27/1162796227.db2.gz VRZUSMPDULCTDO-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC001571564441 1162812021 /nfs/dbraw/zinc/81/20/21/1162812021.db2.gz CTVRALZUKNIMRY-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001691450141 1157777498 /nfs/dbraw/zinc/77/74/98/1157777498.db2.gz JNZALESVDOJGPL-QLFBSQMISA-N 2 1 322.453 0.257 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691528984 1158216894 /nfs/dbraw/zinc/21/68/94/1158216894.db2.gz VMOSFHFYCBBGMD-IAGOWNOFSA-N 2 1 319.449 0.247 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001691705899 1158913645 /nfs/dbraw/zinc/91/36/45/1158913645.db2.gz FIUPBIKBJKOLNZ-VVLHAWIVSA-N 2 1 321.465 0.851 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001248690123 1159137065 /nfs/dbraw/zinc/13/70/65/1159137065.db2.gz IJXPDVLPBJTWAI-KGLIPLIRSA-N 2 1 310.467 0.430 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566678676 1160126130 /nfs/dbraw/zinc/12/61/30/1160126130.db2.gz COKLQCHIZCDWJN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566678676 1160126136 /nfs/dbraw/zinc/12/61/36/1160126136.db2.gz COKLQCHIZCDWJN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001567312432 1160308901 /nfs/dbraw/zinc/30/89/01/1160308901.db2.gz XLSDHEXAWBAPFX-UHFFFAOYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001567384806 1160340336 /nfs/dbraw/zinc/34/03/36/1160340336.db2.gz ZJZXCNCJOMQIBP-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001567384806 1160340342 /nfs/dbraw/zinc/34/03/42/1160340342.db2.gz ZJZXCNCJOMQIBP-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001567384806 1160340350 /nfs/dbraw/zinc/34/03/50/1160340350.db2.gz ZJZXCNCJOMQIBP-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001567384806 1160340357 /nfs/dbraw/zinc/34/03/57/1160340357.db2.gz ZJZXCNCJOMQIBP-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCOC)C1 ZINC001567730827 1160468214 /nfs/dbraw/zinc/46/82/14/1160468214.db2.gz DWXAVKXANGGHQM-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCOC)C1 ZINC001567730827 1160468219 /nfs/dbraw/zinc/46/82/19/1160468219.db2.gz DWXAVKXANGGHQM-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCOC)C1 ZINC001567730827 1160468222 /nfs/dbraw/zinc/46/82/22/1160468222.db2.gz DWXAVKXANGGHQM-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCOC)C1 ZINC001567730827 1160468224 /nfs/dbraw/zinc/46/82/24/1160468224.db2.gz DWXAVKXANGGHQM-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC[C@@H]1CCOC1 ZINC001568748678 1160759860 /nfs/dbraw/zinc/75/98/60/1160759860.db2.gz GQHBOQMVRLTYLG-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC[C@@H]1CCOC1 ZINC001568748678 1160759867 /nfs/dbraw/zinc/75/98/67/1160759867.db2.gz GQHBOQMVRLTYLG-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001569820922 1161272042 /nfs/dbraw/zinc/27/20/42/1161272042.db2.gz MJMNOEXFXUPESL-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001570142621 1161438862 /nfs/dbraw/zinc/43/88/62/1161438862.db2.gz QLPRNCZJVUBACJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](C)CCCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001570197069 1161486693 /nfs/dbraw/zinc/48/66/93/1161486693.db2.gz WGRIHDWHPHHQBW-UHFFFAOYSA-N 2 1 305.426 0.472 20 30 DCEDMP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001570294555 1161551831 /nfs/dbraw/zinc/55/18/31/1161551831.db2.gz WOXSOPBRMGXWLS-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC001574674222 1163739120 /nfs/dbraw/zinc/73/91/20/1163739120.db2.gz WXWMPKIHPLOYHC-MRXNPFEDSA-N 2 1 318.465 0.228 20 30 DCEDMP C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001574890011 1163786310 /nfs/dbraw/zinc/78/63/10/1163786310.db2.gz VZEPNEMXTBEIDS-QLFBSQMISA-N 2 1 323.437 0.684 20 30 DCEDMP C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001574890011 1163786317 /nfs/dbraw/zinc/78/63/17/1163786317.db2.gz VZEPNEMXTBEIDS-QLFBSQMISA-N 2 1 323.437 0.684 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1OCC ZINC001656474958 1173865270 /nfs/dbraw/zinc/86/52/70/1173865270.db2.gz CTVUUFCUZQRWCX-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001663538091 1174316869 /nfs/dbraw/zinc/31/68/69/1174316869.db2.gz YAKOAZHHMJQMRK-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001671795153 1175037359 /nfs/dbraw/zinc/03/73/59/1175037359.db2.gz JZCLYROXZKWCLD-KRWDZBQOSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001673402802 1175200686 /nfs/dbraw/zinc/20/06/86/1175200686.db2.gz XOFADORCBDBFFH-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001673402802 1175200688 /nfs/dbraw/zinc/20/06/88/1175200688.db2.gz XOFADORCBDBFFH-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001673402802 1175200695 /nfs/dbraw/zinc/20/06/95/1175200695.db2.gz XOFADORCBDBFFH-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001674085376 1175252228 /nfs/dbraw/zinc/25/22/28/1175252228.db2.gz SOZTVICWZPLHKI-MRXNPFEDSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@H]12 ZINC001676819936 1175492592 /nfs/dbraw/zinc/49/25/92/1175492592.db2.gz DYUJHRLZDCFOQM-SOLBZPMBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@H]12 ZINC001676819936 1175492608 /nfs/dbraw/zinc/49/26/08/1175492608.db2.gz DYUJHRLZDCFOQM-SOLBZPMBSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001689019512 1176676436 /nfs/dbraw/zinc/67/64/36/1176676436.db2.gz WVLCYJRGWKNGDH-SOUVJXGZSA-N 2 1 322.453 0.115 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001689203807 1176739930 /nfs/dbraw/zinc/73/99/30/1176739930.db2.gz BRWJFWQLFONHCP-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001689203807 1176739933 /nfs/dbraw/zinc/73/99/33/1176739933.db2.gz BRWJFWQLFONHCP-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001689203807 1176739936 /nfs/dbraw/zinc/73/99/36/1176739936.db2.gz BRWJFWQLFONHCP-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)CCCCN2CCOCC2)C1 ZINC001690390203 1177233358 /nfs/dbraw/zinc/23/33/58/1177233358.db2.gz LIRFIFITFFYONT-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001690390203 1177233367 /nfs/dbraw/zinc/23/33/67/1177233367.db2.gz LIRFIFITFFYONT-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001692135892 1177424243 /nfs/dbraw/zinc/42/42/43/1177424243.db2.gz GJJUQTRSJZFRFJ-LBPRGKRZSA-N 2 1 319.409 0.416 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001692315329 1177482698 /nfs/dbraw/zinc/48/26/98/1177482698.db2.gz PYXKOOQIYGIELU-CABCVRRESA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001692315330 1177482833 /nfs/dbraw/zinc/48/28/33/1177482833.db2.gz PYXKOOQIYGIELU-HUUCEWRRSA-N 2 1 322.453 0.162 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001698689157 1177608679 /nfs/dbraw/zinc/60/86/79/1177608679.db2.gz CKSNRBYHRIDBIK-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001698689157 1177608684 /nfs/dbraw/zinc/60/86/84/1177608684.db2.gz CKSNRBYHRIDBIK-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCO)CC1 ZINC001698722662 1177616518 /nfs/dbraw/zinc/61/65/18/1177616518.db2.gz IPELGXWXJRFTAO-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCO)CC1 ZINC001698722662 1177616525 /nfs/dbraw/zinc/61/65/25/1177616525.db2.gz IPELGXWXJRFTAO-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001698792328 1177662028 /nfs/dbraw/zinc/66/20/28/1177662028.db2.gz OBVWXUJRWWGGGU-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001698792328 1177662036 /nfs/dbraw/zinc/66/20/36/1177662036.db2.gz OBVWXUJRWWGGGU-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001699025556 1177777946 /nfs/dbraw/zinc/77/79/46/1177777946.db2.gz ACCJYKFEOSWRGK-CVEARBPZSA-N 2 1 318.421 0.716 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001699756683 1178277525 /nfs/dbraw/zinc/27/75/25/1178277525.db2.gz QYZNSDNNVBJODR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCO)CC1 ZINC001699782523 1178285684 /nfs/dbraw/zinc/28/56/84/1178285684.db2.gz MJPMEYUJAGPSHE-GDBMZVCRSA-N 2 1 307.438 0.245 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001699991222 1178408464 /nfs/dbraw/zinc/40/84/64/1178408464.db2.gz YUCHGXMUFFPPBS-IYBDPMFKSA-N 2 1 317.433 0.122 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001700038426 1178453371 /nfs/dbraw/zinc/45/33/71/1178453371.db2.gz HWRZAFZMCWDBGM-INIZCTEOSA-N 2 1 315.433 0.795 20 30 DCEDMP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001700546236 1178653376 /nfs/dbraw/zinc/65/33/76/1178653376.db2.gz OSWVQCFONVQJQG-HUUCEWRRSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001700578073 1178665686 /nfs/dbraw/zinc/66/56/86/1178665686.db2.gz KAHYNCUJXSVDDD-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001700578073 1178665688 /nfs/dbraw/zinc/66/56/88/1178665688.db2.gz KAHYNCUJXSVDDD-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001700578073 1178665691 /nfs/dbraw/zinc/66/56/91/1178665691.db2.gz KAHYNCUJXSVDDD-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001700578073 1178665693 /nfs/dbraw/zinc/66/56/93/1178665693.db2.gz KAHYNCUJXSVDDD-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001700594458 1178671225 /nfs/dbraw/zinc/67/12/25/1178671225.db2.gz IZIVRXMJYVOOTE-PHZGNYQRSA-N 2 1 319.449 0.272 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@H]1C ZINC001700826939 1178766269 /nfs/dbraw/zinc/76/62/69/1178766269.db2.gz WQRHYQSYVKAGBE-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001700853595 1178778967 /nfs/dbraw/zinc/77/89/67/1178778967.db2.gz KIVICZUQZBYZAU-UKRRQHHQSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC001700923429 1178805131 /nfs/dbraw/zinc/80/51/31/1178805131.db2.gz KVUXITYZBUNDMJ-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001700966452 1178847778 /nfs/dbraw/zinc/84/77/78/1178847778.db2.gz WHQVEPNCLOWBBC-JKSUJKDBSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001700966452 1178847789 /nfs/dbraw/zinc/84/77/89/1178847789.db2.gz WHQVEPNCLOWBBC-JKSUJKDBSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001700966452 1178847798 /nfs/dbraw/zinc/84/77/98/1178847798.db2.gz WHQVEPNCLOWBBC-JKSUJKDBSA-N 2 1 309.454 0.493 20 30 DCEDMP C=CC[N@H+](CCNC(=O)[C@@H]1CCc2nccn2C1)CCOC ZINC001701004241 1178871159 /nfs/dbraw/zinc/87/11/59/1178871159.db2.gz ZYJARUBDUUNGGF-CQSZACIVSA-N 2 1 306.410 0.696 20 30 DCEDMP C=CCN(CCNC(=O)[C@@H]1CCc2nccn2C1)CCOC ZINC001701004241 1178871169 /nfs/dbraw/zinc/87/11/69/1178871169.db2.gz ZYJARUBDUUNGGF-CQSZACIVSA-N 2 1 306.410 0.696 20 30 DCEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001707068108 1180408826 /nfs/dbraw/zinc/40/88/26/1180408826.db2.gz WMQHCDGZQVJFDC-BETUJISGSA-N 2 1 304.394 0.858 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001713077812 1180668981 /nfs/dbraw/zinc/66/89/81/1180668981.db2.gz TYLWWAFGNIUZMC-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CCOC)C2)CC1 ZINC001713401170 1180799934 /nfs/dbraw/zinc/79/99/34/1180799934.db2.gz OOGITEJFYIKVAJ-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC#CCOC)C1CC1 ZINC001713868164 1181121803 /nfs/dbraw/zinc/12/18/03/1181121803.db2.gz NRHDTAWARMGCMG-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713888709 1181130158 /nfs/dbraw/zinc/13/01/58/1181130158.db2.gz ADEXMYOKNJGXCF-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001713888709 1181130163 /nfs/dbraw/zinc/13/01/63/1181130163.db2.gz ADEXMYOKNJGXCF-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001713888709 1181130167 /nfs/dbraw/zinc/13/01/67/1181130167.db2.gz ADEXMYOKNJGXCF-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001714015724 1181204353 /nfs/dbraw/zinc/20/43/53/1181204353.db2.gz NAHXTBIIVDMVHX-QLFBSQMISA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714093202 1181240491 /nfs/dbraw/zinc/24/04/91/1181240491.db2.gz CMHLFNSGBLXORH-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001714642849 1181458071 /nfs/dbraw/zinc/45/80/71/1181458071.db2.gz GQIFRRFOAPJXOR-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001714642849 1181458073 /nfs/dbraw/zinc/45/80/73/1181458073.db2.gz GQIFRRFOAPJXOR-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001714892393 1181591053 /nfs/dbraw/zinc/59/10/53/1181591053.db2.gz XVPWAZONBGAJQK-MRXNPFEDSA-N 2 1 308.470 0.590 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715028218 1181659474 /nfs/dbraw/zinc/65/94/74/1181659474.db2.gz YOBZPHPOVVPYEW-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715028218 1181659478 /nfs/dbraw/zinc/65/94/78/1181659478.db2.gz YOBZPHPOVVPYEW-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715959654 1182120258 /nfs/dbraw/zinc/12/02/58/1182120258.db2.gz OHHNJWWCWOUPKW-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001715959654 1182120265 /nfs/dbraw/zinc/12/02/65/1182120265.db2.gz OHHNJWWCWOUPKW-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001715959654 1182120419 /nfs/dbraw/zinc/12/04/19/1182120419.db2.gz OHHNJWWCWOUPKW-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715959654 1182120425 /nfs/dbraw/zinc/12/04/25/1182120425.db2.gz OHHNJWWCWOUPKW-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001715961632 1182122021 /nfs/dbraw/zinc/12/20/21/1182122021.db2.gz PWHRWDHGOQAEAH-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001716907417 1182564509 /nfs/dbraw/zinc/56/45/09/1182564509.db2.gz AVVJDBOHJIPBGN-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001717011661 1182620010 /nfs/dbraw/zinc/62/00/10/1182620010.db2.gz WVTWWUONQDRYQV-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001717011661 1182620016 /nfs/dbraw/zinc/62/00/16/1182620016.db2.gz WVTWWUONQDRYQV-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001717025421 1182631777 /nfs/dbraw/zinc/63/17/77/1182631777.db2.gz HMXZLBAGQCVOCM-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001717025421 1182631780 /nfs/dbraw/zinc/63/17/80/1182631780.db2.gz HMXZLBAGQCVOCM-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001717025421 1182631786 /nfs/dbraw/zinc/63/17/86/1182631786.db2.gz HMXZLBAGQCVOCM-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001717025421 1182631790 /nfs/dbraw/zinc/63/17/90/1182631790.db2.gz HMXZLBAGQCVOCM-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001717640591 1182935401 /nfs/dbraw/zinc/93/54/01/1182935401.db2.gz DRKNXWMSFIMOSA-LUKYLMHMSA-N 2 1 321.465 0.851 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001717829680 1183020943 /nfs/dbraw/zinc/02/09/43/1183020943.db2.gz IWFSWNJOACPDPO-TZMCWYRMSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001717938145 1183076289 /nfs/dbraw/zinc/07/62/89/1183076289.db2.gz GCRRKIVGDIELTR-OWCLPIDISA-N 2 1 309.454 0.491 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001717938145 1183076295 /nfs/dbraw/zinc/07/62/95/1183076295.db2.gz GCRRKIVGDIELTR-OWCLPIDISA-N 2 1 309.454 0.491 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001717938145 1183076300 /nfs/dbraw/zinc/07/63/00/1183076300.db2.gz GCRRKIVGDIELTR-OWCLPIDISA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CCOC ZINC001717975490 1183094076 /nfs/dbraw/zinc/09/40/76/1183094076.db2.gz CSYRIEGAPUKCLF-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CCOC ZINC001717975490 1183094081 /nfs/dbraw/zinc/09/40/81/1183094081.db2.gz CSYRIEGAPUKCLF-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724402669 1184431783 /nfs/dbraw/zinc/43/17/83/1184431783.db2.gz RIVKTSFODXCHCJ-KRWDZBQOSA-N 2 1 305.422 0.049 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001724840648 1184588601 /nfs/dbraw/zinc/58/86/01/1184588601.db2.gz XYKHGPJUUDMOMY-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001724842837 1184588803 /nfs/dbraw/zinc/58/88/03/1184588803.db2.gz JITIJFRUQJGKEA-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001724842837 1184588807 /nfs/dbraw/zinc/58/88/07/1184588807.db2.gz JITIJFRUQJGKEA-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724842837 1184588815 /nfs/dbraw/zinc/58/88/15/1184588815.db2.gz JITIJFRUQJGKEA-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NCCCCC[NH+]2CCN(CC#N)CC2)C1 ZINC001725014359 1184655977 /nfs/dbraw/zinc/65/59/77/1184655977.db2.gz LIELSTGFUKABTF-MRXNPFEDSA-N 2 1 321.469 0.366 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001725247388 1184734184 /nfs/dbraw/zinc/73/41/84/1184734184.db2.gz INNOUSPUJFEJKO-SQWLQELKSA-N 2 1 307.438 0.413 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001725247388 1184734188 /nfs/dbraw/zinc/73/41/88/1184734188.db2.gz INNOUSPUJFEJKO-SQWLQELKSA-N 2 1 307.438 0.413 20 30 DCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001725780590 1184991633 /nfs/dbraw/zinc/99/16/33/1184991633.db2.gz GPWHEHRVFCCNOO-UYSNPLJNSA-N 2 1 307.438 0.700 20 30 DCEDMP N#CCN1CC[NH+](CCCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001731364230 1185297331 /nfs/dbraw/zinc/29/73/31/1185297331.db2.gz CZSQCBUJBUPLEH-UHFFFAOYSA-N 2 1 321.469 0.510 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001731478477 1185351717 /nfs/dbraw/zinc/35/17/17/1185351717.db2.gz ALEVTXNCLHIXCT-BYNSBNAKSA-N 2 1 322.453 0.398 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001731500751 1185362687 /nfs/dbraw/zinc/36/26/87/1185362687.db2.gz WVCVVIYQAZAZMC-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001731500751 1185362691 /nfs/dbraw/zinc/36/26/91/1185362691.db2.gz WVCVVIYQAZAZMC-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001731500751 1185362695 /nfs/dbraw/zinc/36/26/95/1185362695.db2.gz WVCVVIYQAZAZMC-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731500750 1185363622 /nfs/dbraw/zinc/36/36/22/1185363622.db2.gz WVCVVIYQAZAZMC-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001731500750 1185363628 /nfs/dbraw/zinc/36/36/28/1185363628.db2.gz WVCVVIYQAZAZMC-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001731500750 1185363636 /nfs/dbraw/zinc/36/36/36/1185363636.db2.gz WVCVVIYQAZAZMC-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCOC1CCC1 ZINC001731773648 1185478650 /nfs/dbraw/zinc/47/86/50/1185478650.db2.gz CNZZLZPSFSEOQQ-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCOC1CCC1 ZINC001731773648 1185478653 /nfs/dbraw/zinc/47/86/53/1185478653.db2.gz CNZZLZPSFSEOQQ-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCOC1CCC1 ZINC001731773648 1185478658 /nfs/dbraw/zinc/47/86/58/1185478658.db2.gz CNZZLZPSFSEOQQ-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCOC1CCC1 ZINC001731773648 1185478661 /nfs/dbraw/zinc/47/86/61/1185478661.db2.gz CNZZLZPSFSEOQQ-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001732126776 1185686240 /nfs/dbraw/zinc/68/62/40/1185686240.db2.gz ITXNYSZORWWQCS-JKSUJKDBSA-N 2 1 307.438 0.415 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001732126776 1185686245 /nfs/dbraw/zinc/68/62/45/1185686245.db2.gz ITXNYSZORWWQCS-JKSUJKDBSA-N 2 1 307.438 0.415 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#CCOC ZINC001732374462 1185784452 /nfs/dbraw/zinc/78/44/52/1185784452.db2.gz WMZDSKXODVWAMR-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001732594534 1185865264 /nfs/dbraw/zinc/86/52/64/1185865264.db2.gz JWDQFKZYIFJNJP-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001732594534 1185865271 /nfs/dbraw/zinc/86/52/71/1185865271.db2.gz JWDQFKZYIFJNJP-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001732983356 1186091390 /nfs/dbraw/zinc/09/13/90/1186091390.db2.gz JNNNSINVCVLGIR-ZIAGYGMSSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001733679143 1186397723 /nfs/dbraw/zinc/39/77/23/1186397723.db2.gz WSVPPCLBYFUUIP-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001733679143 1186397730 /nfs/dbraw/zinc/39/77/30/1186397730.db2.gz WSVPPCLBYFUUIP-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCO1 ZINC001733745233 1186428723 /nfs/dbraw/zinc/42/87/23/1186428723.db2.gz ZTAXUAFCDSMZCZ-HOCLYGCPSA-N 2 1 316.405 0.204 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001733888482 1186487883 /nfs/dbraw/zinc/48/78/83/1186487883.db2.gz GQNSDTMRTHGPJX-MRXNPFEDSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001734063657 1186534885 /nfs/dbraw/zinc/53/48/85/1186534885.db2.gz AMULUSBOXPQMEW-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001734063657 1186534888 /nfs/dbraw/zinc/53/48/88/1186534888.db2.gz AMULUSBOXPQMEW-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001752518949 1188426665 /nfs/dbraw/zinc/42/66/65/1188426665.db2.gz YSVSHVAJWACKQY-KRWDZBQOSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001752518949 1188426666 /nfs/dbraw/zinc/42/66/66/1188426666.db2.gz YSVSHVAJWACKQY-KRWDZBQOSA-N 2 1 321.465 0.902 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001752526386 1188426890 /nfs/dbraw/zinc/42/68/90/1188426890.db2.gz UFOYDKJWTWHFJN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001752526386 1188426891 /nfs/dbraw/zinc/42/68/91/1188426891.db2.gz UFOYDKJWTWHFJN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001752526386 1188426892 /nfs/dbraw/zinc/42/68/92/1188426892.db2.gz UFOYDKJWTWHFJN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001752526386 1188426893 /nfs/dbraw/zinc/42/68/93/1188426893.db2.gz UFOYDKJWTWHFJN-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCC2CC2)C1 ZINC001752636660 1188430625 /nfs/dbraw/zinc/43/06/25/1188430625.db2.gz WSXYKAUNJPGZTE-ULQDDVLXSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCC2CC2)C1 ZINC001752636660 1188430628 /nfs/dbraw/zinc/43/06/28/1188430628.db2.gz WSXYKAUNJPGZTE-ULQDDVLXSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752841332 1188449195 /nfs/dbraw/zinc/44/91/95/1188449195.db2.gz PGMARQLYLMVUPB-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752841332 1188449200 /nfs/dbraw/zinc/44/92/00/1188449200.db2.gz PGMARQLYLMVUPB-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001752959327 1188468473 /nfs/dbraw/zinc/46/84/73/1188468473.db2.gz QICYVHAZLFIDCC-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC001753156601 1188517162 /nfs/dbraw/zinc/51/71/62/1188517162.db2.gz XNTRDEXNYVKXRQ-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC001753156601 1188517166 /nfs/dbraw/zinc/51/71/66/1188517166.db2.gz XNTRDEXNYVKXRQ-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C[C@H]1CCOC1)C1CC1 ZINC001753156601 1188517170 /nfs/dbraw/zinc/51/71/70/1188517170.db2.gz XNTRDEXNYVKXRQ-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C[C@H]1CCOC1)C1CC1 ZINC001753156601 1188517173 /nfs/dbraw/zinc/51/71/73/1188517173.db2.gz XNTRDEXNYVKXRQ-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001753163373 1188519158 /nfs/dbraw/zinc/51/91/58/1188519158.db2.gz XPGFDJXYKXUSPP-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001753163373 1188519160 /nfs/dbraw/zinc/51/91/60/1188519160.db2.gz XPGFDJXYKXUSPP-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001753163373 1188519161 /nfs/dbraw/zinc/51/91/61/1188519161.db2.gz XPGFDJXYKXUSPP-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753163373 1188519163 /nfs/dbraw/zinc/51/91/63/1188519163.db2.gz XPGFDJXYKXUSPP-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754756208 1188924386 /nfs/dbraw/zinc/92/43/86/1188924386.db2.gz JCZMEDBZKHEHKV-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001754847116 1188946556 /nfs/dbraw/zinc/94/65/56/1188946556.db2.gz IALFUSPXGVORSB-INIZCTEOSA-N 2 1 324.469 0.063 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001754847116 1188946559 /nfs/dbraw/zinc/94/65/59/1188946559.db2.gz IALFUSPXGVORSB-INIZCTEOSA-N 2 1 324.469 0.063 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001754956963 1188979638 /nfs/dbraw/zinc/97/96/38/1188979638.db2.gz IFCPCVBBDODGJM-QAQDUYKDSA-N 2 1 321.465 0.997 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001755026690 1189001249 /nfs/dbraw/zinc/00/12/49/1189001249.db2.gz VDCUOFBQPLBSDX-INIZCTEOSA-N 2 1 318.421 0.812 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001755026690 1189001253 /nfs/dbraw/zinc/00/12/53/1189001253.db2.gz VDCUOFBQPLBSDX-INIZCTEOSA-N 2 1 318.421 0.812 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001755182105 1189049537 /nfs/dbraw/zinc/04/95/37/1189049537.db2.gz HHQKDOQKTSFHTD-IYBDPMFKSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001755464572 1189119212 /nfs/dbraw/zinc/11/92/12/1189119212.db2.gz ZZDBUEGGDDYNOL-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH+]1CCN(c2nccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001165032073 721868700 /nfs/dbraw/zinc/86/87/00/721868700.db2.gz GDRARUKLMFNYQD-UHFFFAOYSA-N 2 1 302.426 0.712 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553736 751450542 /nfs/dbraw/zinc/45/05/42/751450542.db2.gz QGRQIWHLPZRKPM-ARFHVFGLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553736 751450546 /nfs/dbraw/zinc/45/05/46/751450546.db2.gz QGRQIWHLPZRKPM-ARFHVFGLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553736 751450551 /nfs/dbraw/zinc/45/05/51/751450551.db2.gz QGRQIWHLPZRKPM-ARFHVFGLSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609419 752147827 /nfs/dbraw/zinc/14/78/27/752147827.db2.gz QYDVPHRTYIKVCA-SJLPKXTDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1 ZINC001104306287 747171457 /nfs/dbraw/zinc/17/14/57/747171457.db2.gz VTTFWEAHUJVCQI-ZACQAIPSSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1 ZINC001104306287 747171461 /nfs/dbraw/zinc/17/14/61/747171461.db2.gz VTTFWEAHUJVCQI-ZACQAIPSSA-N 2 1 321.465 0.541 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861660 747292503 /nfs/dbraw/zinc/29/25/03/747292503.db2.gz XXNFCCCXAUWRCH-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247877 747422374 /nfs/dbraw/zinc/42/23/74/747422374.db2.gz IBWWJGZOSQODRH-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247877 747422377 /nfs/dbraw/zinc/42/23/77/747422377.db2.gz IBWWJGZOSQODRH-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247877 747422379 /nfs/dbraw/zinc/42/23/79/747422379.db2.gz IBWWJGZOSQODRH-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083247877 747422382 /nfs/dbraw/zinc/42/23/82/747422382.db2.gz IBWWJGZOSQODRH-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042136 748010904 /nfs/dbraw/zinc/01/09/04/748010904.db2.gz PMRVIBRZGMNTBF-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042136 748010908 /nfs/dbraw/zinc/01/09/08/748010908.db2.gz PMRVIBRZGMNTBF-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243061 748079207 /nfs/dbraw/zinc/07/92/07/748079207.db2.gz SCYQSJMCHVNTCG-IUODEOHRSA-N 2 1 318.425 0.277 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243061 748079216 /nfs/dbraw/zinc/07/92/16/748079216.db2.gz SCYQSJMCHVNTCG-IUODEOHRSA-N 2 1 318.425 0.277 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105318635 748127158 /nfs/dbraw/zinc/12/71/58/748127158.db2.gz ITCOZJNJMGFDOX-UHFFFAOYSA-N 2 1 318.425 0.279 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[NH+](CC)CC)C2)nn1 ZINC001105344066 748323153 /nfs/dbraw/zinc/32/31/53/748323153.db2.gz KOPNZVONTPXOPJ-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168320828 749915328 /nfs/dbraw/zinc/91/53/28/749915328.db2.gz RHQDWZYOKXTIQL-UHFFFAOYSA-N 2 1 324.469 0.505 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757095 749978023 /nfs/dbraw/zinc/97/80/23/749978023.db2.gz ICBRBDGXAFSVCL-YOUGENKZSA-N 2 1 317.433 0.452 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757095 749978027 /nfs/dbraw/zinc/97/80/27/749978027.db2.gz ICBRBDGXAFSVCL-YOUGENKZSA-N 2 1 317.433 0.452 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757095 749978033 /nfs/dbraw/zinc/97/80/33/749978033.db2.gz ICBRBDGXAFSVCL-YOUGENKZSA-N 2 1 317.433 0.452 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757220 749979015 /nfs/dbraw/zinc/97/90/15/749979015.db2.gz NYHLZLRYRMKKJL-YOUGENKZSA-N 2 1 317.433 0.452 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757220 749979019 /nfs/dbraw/zinc/97/90/19/749979019.db2.gz NYHLZLRYRMKKJL-YOUGENKZSA-N 2 1 317.433 0.452 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757220 749979021 /nfs/dbraw/zinc/97/90/21/749979021.db2.gz NYHLZLRYRMKKJL-YOUGENKZSA-N 2 1 317.433 0.452 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518516 750085122 /nfs/dbraw/zinc/08/51/22/750085122.db2.gz CIINHSJDRXUKSU-OAGGEKHMSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518516 750085125 /nfs/dbraw/zinc/08/51/25/750085125.db2.gz CIINHSJDRXUKSU-OAGGEKHMSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518516 750085129 /nfs/dbraw/zinc/08/51/29/750085129.db2.gz CIINHSJDRXUKSU-OAGGEKHMSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518516 750085130 /nfs/dbraw/zinc/08/51/30/750085130.db2.gz CIINHSJDRXUKSU-OAGGEKHMSA-N 2 1 307.438 0.149 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001098762515 750699625 /nfs/dbraw/zinc/69/96/25/750699625.db2.gz MXWAYMDFHZWLRJ-OAHLLOKOSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001098762515 750699629 /nfs/dbraw/zinc/69/96/29/750699629.db2.gz MXWAYMDFHZWLRJ-OAHLLOKOSA-N 2 1 320.441 0.669 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912825 750723496 /nfs/dbraw/zinc/72/34/96/750723496.db2.gz SWIOUBPFTVIBDT-ZBFHGGJFSA-N 2 1 317.437 0.661 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013204 762118494 /nfs/dbraw/zinc/11/84/94/762118494.db2.gz IFFAAHIFKJICPQ-VQFNDLOPSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001077777453 752520083 /nfs/dbraw/zinc/52/00/83/752520083.db2.gz MKBIYGKWLIAAEM-BZUAXINKSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001077777453 752520089 /nfs/dbraw/zinc/52/00/89/752520089.db2.gz MKBIYGKWLIAAEM-BZUAXINKSA-N 2 1 307.438 0.436 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923980 752870714 /nfs/dbraw/zinc/87/07/14/752870714.db2.gz MKFLFQYEGWMKTR-HZPDHXFCSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082642 753472596 /nfs/dbraw/zinc/47/25/96/753472596.db2.gz UXPAEWZIZAXPPL-QGZVFWFLSA-N 2 1 318.465 0.324 20 30 DCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501290 753752835 /nfs/dbraw/zinc/75/28/35/753752835.db2.gz MZKHXHWMCHEGET-BYLPVYNFSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501290 753752838 /nfs/dbraw/zinc/75/28/38/753752838.db2.gz MZKHXHWMCHEGET-BYLPVYNFSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501290 753752841 /nfs/dbraw/zinc/75/28/41/753752841.db2.gz MZKHXHWMCHEGET-BYLPVYNFSA-N 2 1 303.406 0.063 20 30 DCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001047401611 754248428 /nfs/dbraw/zinc/24/84/28/754248428.db2.gz YVDXPZZSGZTPKH-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401611 754248433 /nfs/dbraw/zinc/24/84/33/754248433.db2.gz YVDXPZZSGZTPKH-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401611 754248439 /nfs/dbraw/zinc/24/84/39/754248439.db2.gz YVDXPZZSGZTPKH-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047409030 754256350 /nfs/dbraw/zinc/25/63/50/754256350.db2.gz LLSMFDCVYMDRSH-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047409030 754256353 /nfs/dbraw/zinc/25/63/53/754256353.db2.gz LLSMFDCVYMDRSH-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047409030 754256355 /nfs/dbraw/zinc/25/63/55/754256355.db2.gz LLSMFDCVYMDRSH-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1=O ZINC001128782641 754279271 /nfs/dbraw/zinc/27/92/71/754279271.db2.gz ADIWEILVURAKNJ-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001047458293 754301068 /nfs/dbraw/zinc/30/10/68/754301068.db2.gz KHVUMXADMYZRMJ-GJZGRUSLSA-N 2 1 300.362 0.637 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001047458293 754301071 /nfs/dbraw/zinc/30/10/71/754301071.db2.gz KHVUMXADMYZRMJ-GJZGRUSLSA-N 2 1 300.362 0.637 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCC=C)C[C@@H]2O)CC1 ZINC001047638368 754453803 /nfs/dbraw/zinc/45/38/03/754453803.db2.gz PHADMLOZYXASDW-IRXDYDNUSA-N 2 1 319.449 0.411 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048834136 754967373 /nfs/dbraw/zinc/96/73/73/754967373.db2.gz ZVCOMEPLZCFEFL-XUWVNRHRSA-N 2 1 305.422 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048834136 754967377 /nfs/dbraw/zinc/96/73/77/754967377.db2.gz ZVCOMEPLZCFEFL-XUWVNRHRSA-N 2 1 305.422 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048834136 754967382 /nfs/dbraw/zinc/96/73/82/754967382.db2.gz ZVCOMEPLZCFEFL-XUWVNRHRSA-N 2 1 305.422 0.426 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)nc4C3)C[C@H]2C1 ZINC001048904493 755008787 /nfs/dbraw/zinc/00/87/87/755008787.db2.gz UFMIFEUAUCIGRI-KFWWJZLASA-N 2 1 312.417 0.846 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959759 755041070 /nfs/dbraw/zinc/04/10/70/755041070.db2.gz MUUYBJLSKHCTEM-BBWFWOEESA-N 2 1 301.434 0.884 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672971 756752091 /nfs/dbraw/zinc/75/20/91/756752091.db2.gz QYRCEPHCJYPQJY-ARFHVFGLSA-N 2 1 307.438 0.720 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@H]2OC)CC1 ZINC001082383149 757090332 /nfs/dbraw/zinc/09/03/32/757090332.db2.gz KKZIBMKTRZHFEI-IAGOWNOFSA-N 2 1 319.449 0.723 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001050125221 757397058 /nfs/dbraw/zinc/39/70/58/757397058.db2.gz SZMKIRQUFVSSKT-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001050125221 757397067 /nfs/dbraw/zinc/39/70/67/757397067.db2.gz SZMKIRQUFVSSKT-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001050125221 757397077 /nfs/dbraw/zinc/39/70/77/757397077.db2.gz SZMKIRQUFVSSKT-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001050125221 757397087 /nfs/dbraw/zinc/39/70/87/757397087.db2.gz SZMKIRQUFVSSKT-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)C[C@@H]2O)CC1 ZINC001084090275 757667832 /nfs/dbraw/zinc/66/78/32/757667832.db2.gz RQUJLFCMVJTZBL-CVEARBPZSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155313726 759739893 /nfs/dbraw/zinc/73/98/93/759739893.db2.gz FYQOTWPQJRSDDA-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086387116 760124429 /nfs/dbraw/zinc/12/44/29/760124429.db2.gz SBUPAVHWXYKVFC-BFYDXBDKSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C2)C1 ZINC001148305417 767956064 /nfs/dbraw/zinc/95/60/64/767956064.db2.gz ZRIWRCBCNYUMPQ-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292808 767960165 /nfs/dbraw/zinc/96/01/65/767960165.db2.gz UPCMOJMWTSGXHE-JKSUJKDBSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292808 767960169 /nfs/dbraw/zinc/96/01/69/767960169.db2.gz UPCMOJMWTSGXHE-JKSUJKDBSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001148292808 767960173 /nfs/dbraw/zinc/96/01/73/767960173.db2.gz UPCMOJMWTSGXHE-JKSUJKDBSA-N 2 1 319.449 0.368 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071228433 761725206 /nfs/dbraw/zinc/72/52/06/761725206.db2.gz UPOOMACJGUQZHJ-YJBOKZPZSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccnc1OC ZINC001129762641 763002555 /nfs/dbraw/zinc/00/25/55/763002555.db2.gz PUEPHEDNSAZKLC-HNNXBMFYSA-N 2 1 316.405 0.394 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccnc1OC ZINC001129762641 763002559 /nfs/dbraw/zinc/00/25/59/763002559.db2.gz PUEPHEDNSAZKLC-HNNXBMFYSA-N 2 1 316.405 0.394 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCOCC1 ZINC001129771299 763008940 /nfs/dbraw/zinc/00/89/40/763008940.db2.gz UWTDYQVRHHHCOG-INIZCTEOSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCOCC1 ZINC001129771299 763008946 /nfs/dbraw/zinc/00/89/46/763008946.db2.gz UWTDYQVRHHHCOG-INIZCTEOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=C(Cl)CN1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879613 763096409 /nfs/dbraw/zinc/09/64/09/763096409.db2.gz MYOVBRGDEHJNBM-KGLIPLIRSA-N 2 1 315.845 0.775 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107747 763128631 /nfs/dbraw/zinc/12/86/31/763128631.db2.gz ZKJQOSAKZMMKMB-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100014082 763218808 /nfs/dbraw/zinc/21/88/08/763218808.db2.gz YJMRPSIDYNMPNZ-GJZGRUSLSA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100014082 763218813 /nfs/dbraw/zinc/21/88/13/763218813.db2.gz YJMRPSIDYNMPNZ-GJZGRUSLSA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100014082 763218818 /nfs/dbraw/zinc/21/88/18/763218818.db2.gz YJMRPSIDYNMPNZ-GJZGRUSLSA-N 2 1 309.454 0.539 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041594 763247629 /nfs/dbraw/zinc/24/76/29/763247629.db2.gz LKMCDCYKBLVCBC-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100114190 763322813 /nfs/dbraw/zinc/32/28/13/763322813.db2.gz KAEDBBUICRMPJG-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100114190 763322825 /nfs/dbraw/zinc/32/28/25/763322825.db2.gz KAEDBBUICRMPJG-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100676905 763716480 /nfs/dbraw/zinc/71/64/80/763716480.db2.gz URXOLCNWOOBGSO-QQFBHYJXSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092102288 768192492 /nfs/dbraw/zinc/19/24/92/768192492.db2.gz ZUEGFTMBHGXALN-WBVHZDCISA-N 2 1 307.438 0.675 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092102288 768192493 /nfs/dbraw/zinc/19/24/93/768192493.db2.gz ZUEGFTMBHGXALN-WBVHZDCISA-N 2 1 307.438 0.675 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132265495 764343462 /nfs/dbraw/zinc/34/34/62/764343462.db2.gz NUTWQQBTBUCNEO-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132265495 764343467 /nfs/dbraw/zinc/34/34/67/764343467.db2.gz NUTWQQBTBUCNEO-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366605 764615537 /nfs/dbraw/zinc/61/55/37/764615537.db2.gz KZUUVLIAZYLKTN-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366605 764615544 /nfs/dbraw/zinc/61/55/44/764615544.db2.gz KZUUVLIAZYLKTN-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366605 764615548 /nfs/dbraw/zinc/61/55/48/764615548.db2.gz KZUUVLIAZYLKTN-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136885 764956487 /nfs/dbraw/zinc/95/64/87/764956487.db2.gz RRSBDOVIMYQHQZ-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136885 764956493 /nfs/dbraw/zinc/95/64/93/764956493.db2.gz RRSBDOVIMYQHQZ-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103136885 764956498 /nfs/dbraw/zinc/95/64/98/764956498.db2.gz RRSBDOVIMYQHQZ-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103136885 764956503 /nfs/dbraw/zinc/95/65/03/764956503.db2.gz RRSBDOVIMYQHQZ-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111906176 765422379 /nfs/dbraw/zinc/42/23/79/765422379.db2.gz WCFURXXRNAGMMN-WMZOPIPTSA-N 2 1 319.449 0.703 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111906176 765422384 /nfs/dbraw/zinc/42/23/84/765422384.db2.gz WCFURXXRNAGMMN-WMZOPIPTSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134766256 765660940 /nfs/dbraw/zinc/66/09/40/765660940.db2.gz FTFRQHWTGKARSZ-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001115271343 765672534 /nfs/dbraw/zinc/67/25/34/765672534.db2.gz GVPSVAFOLHDTOB-QXSJWSMHSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001115271343 765672539 /nfs/dbraw/zinc/67/25/39/765672539.db2.gz GVPSVAFOLHDTOB-QXSJWSMHSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001115271343 765672547 /nfs/dbraw/zinc/67/25/47/765672547.db2.gz GVPSVAFOLHDTOB-QXSJWSMHSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001115271343 765672556 /nfs/dbraw/zinc/67/25/56/765672556.db2.gz GVPSVAFOLHDTOB-QXSJWSMHSA-N 2 1 307.438 0.720 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001090617761 766380670 /nfs/dbraw/zinc/38/06/70/766380670.db2.gz XHGWFPHBJZTKCK-CABCVRRESA-N 2 1 318.421 0.581 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090617761 766380677 /nfs/dbraw/zinc/38/06/77/766380677.db2.gz XHGWFPHBJZTKCK-CABCVRRESA-N 2 1 318.421 0.581 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090734276 766530048 /nfs/dbraw/zinc/53/00/48/766530048.db2.gz KCBQEOKLAKSNOF-HIFRSBDPSA-N 2 1 304.394 0.499 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090734276 766530052 /nfs/dbraw/zinc/53/00/52/766530052.db2.gz KCBQEOKLAKSNOF-HIFRSBDPSA-N 2 1 304.394 0.499 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090732675 766530571 /nfs/dbraw/zinc/53/05/71/766530571.db2.gz CNJMAQNLEYNXJP-ZBFHGGJFSA-N 2 1 318.421 0.889 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090732675 766530576 /nfs/dbraw/zinc/53/05/76/766530576.db2.gz CNJMAQNLEYNXJP-ZBFHGGJFSA-N 2 1 318.421 0.889 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146332853 767426096 /nfs/dbraw/zinc/42/60/96/767426096.db2.gz KNBBDHRSYLZDAT-KBPBESRZSA-N 2 1 306.410 0.714 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001122247428 767750924 /nfs/dbraw/zinc/75/09/24/767750924.db2.gz FWHSDDGHDYINBL-HUUCEWRRSA-N 2 1 307.463 0.685 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001151307641 769308309 /nfs/dbraw/zinc/30/83/09/769308309.db2.gz BPDCYKZLZQIQEU-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001151403013 769330837 /nfs/dbraw/zinc/33/08/37/769330837.db2.gz RFUWMAHPUKCSKW-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP N#Cc1c(N)sc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1Cl ZINC001234988028 769734697 /nfs/dbraw/zinc/73/46/97/769734697.db2.gz PWUQVWAZINDNCI-CYBMUJFWSA-N 2 1 311.842 0.993 20 30 DCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153818851 769949351 /nfs/dbraw/zinc/94/93/51/769949351.db2.gz CWDVEOODLZCBIT-HUUCEWRRSA-N 2 1 305.426 0.273 20 30 DCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153818851 769949358 /nfs/dbraw/zinc/94/93/58/769949358.db2.gz CWDVEOODLZCBIT-HUUCEWRRSA-N 2 1 305.426 0.273 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754055 770167989 /nfs/dbraw/zinc/16/79/89/770167989.db2.gz QMDZHPQSFHPFJP-HNNXBMFYSA-N 2 1 324.469 0.341 20 30 DCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154396400 770168077 /nfs/dbraw/zinc/16/80/77/770168077.db2.gz HWVNNKGZPMMOEB-GJEMEMOUSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001183354136 771638098 /nfs/dbraw/zinc/63/80/98/771638098.db2.gz RHGYSZUDWYXIQI-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001183354136 771638100 /nfs/dbraw/zinc/63/81/00/771638100.db2.gz RHGYSZUDWYXIQI-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC=C)C1 ZINC001183354045 771638235 /nfs/dbraw/zinc/63/82/35/771638235.db2.gz NJFZXXCQJUTOCN-CVEARBPZSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC=C)C1 ZINC001183354045 771638238 /nfs/dbraw/zinc/63/82/38/771638238.db2.gz NJFZXXCQJUTOCN-CVEARBPZSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001158872709 771830254 /nfs/dbraw/zinc/83/02/54/771830254.db2.gz XFINOJAIMYLQGC-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001158872709 771830258 /nfs/dbraw/zinc/83/02/58/771830258.db2.gz XFINOJAIMYLQGC-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cnccn1 ZINC001160197630 772006936 /nfs/dbraw/zinc/00/69/36/772006936.db2.gz BERXZYCPGTYBTE-ZBFHGGJFSA-N 2 1 315.421 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cnccn1 ZINC001160197630 772006943 /nfs/dbraw/zinc/00/69/43/772006943.db2.gz BERXZYCPGTYBTE-ZBFHGGJFSA-N 2 1 315.421 0.731 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NCCC ZINC001160209224 772009080 /nfs/dbraw/zinc/00/90/80/772009080.db2.gz DVOMIKJELFJUJW-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NCCC ZINC001160209224 772009085 /nfs/dbraw/zinc/00/90/85/772009085.db2.gz DVOMIKJELFJUJW-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160273428 772017608 /nfs/dbraw/zinc/01/76/08/772017608.db2.gz MLRGZGUECOACAI-HUUCEWRRSA-N 2 1 324.469 0.647 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC12CCOCC2 ZINC001186311009 772030919 /nfs/dbraw/zinc/03/09/19/772030919.db2.gz PONLROIACXBXTP-CVEARBPZSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001187982166 772254183 /nfs/dbraw/zinc/25/41/83/772254183.db2.gz GOZCVOHVMFOYND-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982166 772254186 /nfs/dbraw/zinc/25/41/86/772254186.db2.gz GOZCVOHVMFOYND-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)(COC)CC1 ZINC001162482989 772378961 /nfs/dbraw/zinc/37/89/61/772378961.db2.gz ZPWAKTDIUVVAAY-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127783 772426946 /nfs/dbraw/zinc/42/69/46/772426946.db2.gz ZNZNMWLJGRUXOX-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127783 772426948 /nfs/dbraw/zinc/42/69/48/772426948.db2.gz ZNZNMWLJGRUXOX-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127783 772426951 /nfs/dbraw/zinc/42/69/51/772426951.db2.gz ZNZNMWLJGRUXOX-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127783 772426953 /nfs/dbraw/zinc/42/69/53/772426953.db2.gz ZNZNMWLJGRUXOX-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699914 772448367 /nfs/dbraw/zinc/44/83/67/772448367.db2.gz WYPZUJJWSMQDHU-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190645626 772656681 /nfs/dbraw/zinc/65/66/81/772656681.db2.gz UMKQWQDABINGNR-CVEARBPZSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190645626 772656682 /nfs/dbraw/zinc/65/66/82/772656682.db2.gz UMKQWQDABINGNR-CVEARBPZSA-N 2 1 319.453 0.922 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCC=C)C1 ZINC001190725898 772669382 /nfs/dbraw/zinc/66/93/82/772669382.db2.gz TZZYTZVXHMHXGZ-IRXDYDNUSA-N 2 1 319.449 0.819 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCOCC=C)C1 ZINC001190725898 772669385 /nfs/dbraw/zinc/66/93/85/772669385.db2.gz TZZYTZVXHMHXGZ-IRXDYDNUSA-N 2 1 319.449 0.819 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCC=C)C1 ZINC001190725898 772669387 /nfs/dbraw/zinc/66/93/87/772669387.db2.gz TZZYTZVXHMHXGZ-IRXDYDNUSA-N 2 1 319.449 0.819 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCOCC=C)C1 ZINC001190725898 772669391 /nfs/dbraw/zinc/66/93/91/772669391.db2.gz TZZYTZVXHMHXGZ-IRXDYDNUSA-N 2 1 319.449 0.819 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCOCC=C)C1 ZINC001190725898 772669392 /nfs/dbraw/zinc/66/93/92/772669392.db2.gz TZZYTZVXHMHXGZ-IRXDYDNUSA-N 2 1 319.449 0.819 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001165484962 772742461 /nfs/dbraw/zinc/74/24/61/772742461.db2.gz IQGXHCSNFDSRQW-OAHLLOKOSA-N 2 1 317.437 0.323 20 30 DCEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191375835 772760996 /nfs/dbraw/zinc/76/09/96/772760996.db2.gz FAULKHGMEWIZDW-HNNXBMFYSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191375835 772761000 /nfs/dbraw/zinc/76/10/00/772761000.db2.gz FAULKHGMEWIZDW-HNNXBMFYSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744424 772855924 /nfs/dbraw/zinc/85/59/24/772855924.db2.gz VZYSOXOOXZQPQD-UHFFFAOYSA-N 2 1 312.458 0.362 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOCC)C1 ZINC001208356355 773441605 /nfs/dbraw/zinc/44/16/05/773441605.db2.gz PEBWASHVYPMGBR-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOCC)C1 ZINC001208356355 773441608 /nfs/dbraw/zinc/44/16/08/773441608.db2.gz PEBWASHVYPMGBR-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208447963 773464554 /nfs/dbraw/zinc/46/45/54/773464554.db2.gz RVTQYLKMCWODSK-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208591123 773503607 /nfs/dbraw/zinc/50/36/07/773503607.db2.gz QHYUNXLTWIUNSG-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208591123 773503609 /nfs/dbraw/zinc/50/36/09/773503609.db2.gz QHYUNXLTWIUNSG-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001208591123 773503613 /nfs/dbraw/zinc/50/36/13/773503613.db2.gz QHYUNXLTWIUNSG-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001208591123 773503615 /nfs/dbraw/zinc/50/36/15/773503615.db2.gz QHYUNXLTWIUNSG-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211267835 773787703 /nfs/dbraw/zinc/78/77/03/773787703.db2.gz DNIDXBMKGHTVMV-AWEZNQCLSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819901 773812711 /nfs/dbraw/zinc/81/27/11/773812711.db2.gz QBISHRAFAYUZEQ-RRFJBIMHSA-N 2 1 307.438 0.598 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213219421 773817982 /nfs/dbraw/zinc/81/79/82/773817982.db2.gz RLJJQNKWIQXUGF-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213219421 773817988 /nfs/dbraw/zinc/81/79/88/773817988.db2.gz RLJJQNKWIQXUGF-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001198672317 773963198 /nfs/dbraw/zinc/96/31/98/773963198.db2.gz MPUGVVDMLZTJQR-BPLDGKMQSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672317 773963206 /nfs/dbraw/zinc/96/32/06/773963206.db2.gz MPUGVVDMLZTJQR-BPLDGKMQSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672317 773963214 /nfs/dbraw/zinc/96/32/14/773963214.db2.gz MPUGVVDMLZTJQR-BPLDGKMQSA-N 2 1 306.410 0.708 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889559 774022043 /nfs/dbraw/zinc/02/20/43/774022043.db2.gz MQSMGPHRSSJQSW-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C1CC[NH2+]C[C@@H]1Oc1cc(C[C@H]([NH3+])C(=O)OC)ccc1O ZINC001218209316 774216781 /nfs/dbraw/zinc/21/67/81/774216781.db2.gz WHZPKTZDOJWAEX-WFASDCNBSA-N 2 1 306.362 0.732 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200636322 774382378 /nfs/dbraw/zinc/38/23/78/774382378.db2.gz YAFUYRBFJKNZGI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC=C)C1 ZINC001200720920 774397819 /nfs/dbraw/zinc/39/78/19/774397819.db2.gz DZGOCWJLFJFDAC-CVEARBPZSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC=C)C1 ZINC001200720920 774397824 /nfs/dbraw/zinc/39/78/24/774397824.db2.gz DZGOCWJLFJFDAC-CVEARBPZSA-N 2 1 305.422 0.477 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCCO1 ZINC001200805959 774411531 /nfs/dbraw/zinc/41/15/31/774411531.db2.gz NTCWKSKEHCAIGK-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976410 774433464 /nfs/dbraw/zinc/43/34/64/774433464.db2.gz SKYFEQBBMIKRFP-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001201066126 774441608 /nfs/dbraw/zinc/44/16/08/774441608.db2.gz GBXHGVUTYQGMEL-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222016707 775249054 /nfs/dbraw/zinc/24/90/54/775249054.db2.gz XLHONEWTIDCHQM-HZPDHXFCSA-N 2 1 318.421 0.927 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222016707 775249064 /nfs/dbraw/zinc/24/90/64/775249064.db2.gz XLHONEWTIDCHQM-HZPDHXFCSA-N 2 1 318.421 0.927 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001111233537 775613323 /nfs/dbraw/zinc/61/33/23/775613323.db2.gz QEDJEJRWNQVYTD-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001111233537 775613329 /nfs/dbraw/zinc/61/33/29/775613329.db2.gz QEDJEJRWNQVYTD-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001111233537 775613335 /nfs/dbraw/zinc/61/33/35/775613335.db2.gz QEDJEJRWNQVYTD-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001111233537 775613342 /nfs/dbraw/zinc/61/33/42/775613342.db2.gz QEDJEJRWNQVYTD-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111275131 775700328 /nfs/dbraw/zinc/70/03/28/775700328.db2.gz PNTLONXEFMSDIY-HZMVEIRTSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111275131 775700340 /nfs/dbraw/zinc/70/03/40/775700340.db2.gz PNTLONXEFMSDIY-HZMVEIRTSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111275131 775700351 /nfs/dbraw/zinc/70/03/51/775700351.db2.gz PNTLONXEFMSDIY-HZMVEIRTSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111275131 775700362 /nfs/dbraw/zinc/70/03/62/775700362.db2.gz PNTLONXEFMSDIY-HZMVEIRTSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111275131 775700367 /nfs/dbraw/zinc/70/03/67/775700367.db2.gz PNTLONXEFMSDIY-HZMVEIRTSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230374336 776289130 /nfs/dbraw/zinc/28/91/30/776289130.db2.gz QGYGEFSQVAIGLV-UHFFFAOYSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230374336 776289134 /nfs/dbraw/zinc/28/91/34/776289134.db2.gz QGYGEFSQVAIGLV-UHFFFAOYSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041368439 777233137 /nfs/dbraw/zinc/23/31/37/777233137.db2.gz MURHBBVDSVAMJG-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041368439 777233143 /nfs/dbraw/zinc/23/31/43/777233143.db2.gz MURHBBVDSVAMJG-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCO)C2)C1 ZINC001041368439 777233150 /nfs/dbraw/zinc/23/31/50/777233150.db2.gz MURHBBVDSVAMJG-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCO)C2)C1 ZINC001041368439 777233156 /nfs/dbraw/zinc/23/31/56/777233156.db2.gz MURHBBVDSVAMJG-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001277997222 945086882 /nfs/dbraw/zinc/08/68/82/945086882.db2.gz JPXPLXPZMFMBRU-AWEZNQCLSA-N 2 1 319.409 0.074 20 30 DCEDMP C=C(C)CN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273029558 945207205 /nfs/dbraw/zinc/20/72/05/945207205.db2.gz CYZUUYCYRPMMIH-QGZVFWFLSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533612 939155004 /nfs/dbraw/zinc/15/50/04/939155004.db2.gz MYEFDNMKOZHVKU-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266883961 939265296 /nfs/dbraw/zinc/26/52/96/939265296.db2.gz IHJFEHGHAFCVJF-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267280329 939413652 /nfs/dbraw/zinc/41/36/52/939413652.db2.gz CBIWJWXAVZTLDH-GDBMZVCRSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267280329 939413653 /nfs/dbraw/zinc/41/36/53/939413653.db2.gz CBIWJWXAVZTLDH-GDBMZVCRSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001267429053 939454126 /nfs/dbraw/zinc/45/41/26/939454126.db2.gz MHURLDJNHQWDSZ-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481118711 939570000 /nfs/dbraw/zinc/57/00/00/939570000.db2.gz LNZHOWLUXPVHTI-HNNXBMFYSA-N 2 1 307.438 0.723 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001481127003 939575032 /nfs/dbraw/zinc/57/50/32/939575032.db2.gz OKZLLOFACMSWDQ-HUUCEWRRSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001481127003 939575034 /nfs/dbraw/zinc/57/50/34/939575034.db2.gz OKZLLOFACMSWDQ-HUUCEWRRSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001481127003 939575035 /nfs/dbraw/zinc/57/50/35/939575035.db2.gz OKZLLOFACMSWDQ-HUUCEWRRSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001318223897 945295398 /nfs/dbraw/zinc/29/53/98/945295398.db2.gz LKRIEIJLRVURFI-GJZGRUSLSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001318223897 945295404 /nfs/dbraw/zinc/29/54/04/945295404.db2.gz LKRIEIJLRVURFI-GJZGRUSLSA-N 2 1 305.422 0.570 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001273143059 945316554 /nfs/dbraw/zinc/31/65/54/945316554.db2.gz ALIHTUYBROSSBU-FUHWJXTLSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001273143059 945316564 /nfs/dbraw/zinc/31/65/64/945316564.db2.gz ALIHTUYBROSSBU-FUHWJXTLSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001273143059 945316574 /nfs/dbraw/zinc/31/65/74/945316574.db2.gz ALIHTUYBROSSBU-FUHWJXTLSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001273143059 945316584 /nfs/dbraw/zinc/31/65/84/945316584.db2.gz ALIHTUYBROSSBU-FUHWJXTLSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC[C@@H](C)O)C2)CC1 ZINC001269200541 940645884 /nfs/dbraw/zinc/64/58/84/940645884.db2.gz XZLIHTFXKFUDBZ-NVXWUHKLSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001270193154 940852753 /nfs/dbraw/zinc/85/27/53/940852753.db2.gz HDYNKAYSQBTNSW-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001271932425 941483551 /nfs/dbraw/zinc/48/35/51/941483551.db2.gz PZZMMEZAORQNAM-UHFFFAOYSA-N 2 1 317.437 0.385 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001279162988 942731523 /nfs/dbraw/zinc/73/15/23/942731523.db2.gz VXHJIKJRMUXMJH-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484242113 943245701 /nfs/dbraw/zinc/24/57/01/943245701.db2.gz TXHUWNHGHBHICN-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001484449306 943402636 /nfs/dbraw/zinc/40/26/36/943402636.db2.gz DQGFQEJUWZJNGE-KRWDZBQOSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001484449306 943402640 /nfs/dbraw/zinc/40/26/40/943402640.db2.gz DQGFQEJUWZJNGE-KRWDZBQOSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC=C)C1 ZINC001484842557 943590894 /nfs/dbraw/zinc/59/08/94/943590894.db2.gz VFKFZONAWMCQLU-RDJZCZTQSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC=C)C1 ZINC001484842557 943590895 /nfs/dbraw/zinc/59/08/95/943590895.db2.gz VFKFZONAWMCQLU-RDJZCZTQSA-N 2 1 305.422 0.213 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484841654 943591444 /nfs/dbraw/zinc/59/14/44/943591444.db2.gz PEQAQZPECOFHJA-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001484988059 943644557 /nfs/dbraw/zinc/64/45/57/943644557.db2.gz OIEWMGRCVLAAGV-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001484988059 943644560 /nfs/dbraw/zinc/64/45/60/943644560.db2.gz OIEWMGRCVLAAGV-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001491062553 943729464 /nfs/dbraw/zinc/72/94/64/943729464.db2.gz BMKGSKVNKVSNPS-BETUJISGSA-N 2 1 301.818 0.698 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485505520 943973279 /nfs/dbraw/zinc/97/32/79/943973279.db2.gz GDIXNRGBZUBBLE-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485505520 943973285 /nfs/dbraw/zinc/97/32/85/943973285.db2.gz GDIXNRGBZUBBLE-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001485580300 944014230 /nfs/dbraw/zinc/01/42/30/944014230.db2.gz FTJGDLNZPJYTQW-GJZGRUSLSA-N 2 1 309.454 0.967 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#CCOC)CC1(C)C ZINC001276625512 944235207 /nfs/dbraw/zinc/23/52/07/944235207.db2.gz ZUZWVOPINAGCMR-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#CCOC)CC1(C)C ZINC001276625512 944235215 /nfs/dbraw/zinc/23/52/15/944235215.db2.gz ZUZWVOPINAGCMR-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)CC1(C)C ZINC001276625512 944235220 /nfs/dbraw/zinc/23/52/20/944235220.db2.gz ZUZWVOPINAGCMR-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)CC1(C)C ZINC001276625512 944235229 /nfs/dbraw/zinc/23/52/29/944235229.db2.gz ZUZWVOPINAGCMR-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001276777566 944295097 /nfs/dbraw/zinc/29/50/97/944295097.db2.gz DREYXWSFFLPYDE-GDBMZVCRSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001486097481 944555203 /nfs/dbraw/zinc/55/52/03/944555203.db2.gz UERYMHOJCDBAMW-DZGCQCFKSA-N 2 1 306.410 0.973 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317038264 944751938 /nfs/dbraw/zinc/75/19/38/944751938.db2.gz BYYOKVBMLLOQAA-QGZVFWFLSA-N 2 1 321.465 0.902 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317038264 944751943 /nfs/dbraw/zinc/75/19/43/944751943.db2.gz BYYOKVBMLLOQAA-QGZVFWFLSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC#CCOC)C2)C1)[NH+](C)C ZINC001277525201 944861308 /nfs/dbraw/zinc/86/13/08/944861308.db2.gz QQMXINVJGPWPMN-AEFFLSMTSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001277825570 944996363 /nfs/dbraw/zinc/99/63/63/944996363.db2.gz DICILOGZOAFENV-SWLSCSKDSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001277825570 944996371 /nfs/dbraw/zinc/99/63/71/944996371.db2.gz DICILOGZOAFENV-SWLSCSKDSA-N 2 1 303.410 0.860 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCn1cccn1 ZINC001318537105 945395867 /nfs/dbraw/zinc/39/58/67/945395867.db2.gz KFUDSYWBHPPGFF-CVEARBPZSA-N 2 1 317.437 0.465 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCn1cccn1 ZINC001318537105 945395871 /nfs/dbraw/zinc/39/58/71/945395871.db2.gz KFUDSYWBHPPGFF-CVEARBPZSA-N 2 1 317.437 0.465 20 30 DCEDMP C#CCOC[C@H](O)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001251840734 945792029 /nfs/dbraw/zinc/79/20/29/945792029.db2.gz UDRYEFDMPKKTAU-OAHLLOKOSA-N 2 1 303.406 0.940 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001320273137 945798982 /nfs/dbraw/zinc/79/89/82/945798982.db2.gz KHFIPSHSBORTMC-CYBMUJFWSA-N 2 1 322.409 0.527 20 30 DCEDMP C#CCOC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001251884676 945808516 /nfs/dbraw/zinc/80/85/16/945808516.db2.gz DKFXNVBZNGWVGH-GOSISDBHSA-N 2 1 318.417 0.619 20 30 DCEDMP C#CCOC[C@@H](O)C[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001251891744 945812070 /nfs/dbraw/zinc/81/20/70/945812070.db2.gz YNPYXTSHBCTMIO-INIZCTEOSA-N 2 1 303.406 0.959 20 30 DCEDMP C=CCC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252597597 945966675 /nfs/dbraw/zinc/96/66/75/945966675.db2.gz BNGANOSIVJXKKS-OAHLLOKOSA-N 2 1 320.437 0.838 20 30 DCEDMP C=CCC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252597597 945966688 /nfs/dbraw/zinc/96/66/88/945966688.db2.gz BNGANOSIVJXKKS-OAHLLOKOSA-N 2 1 320.437 0.838 20 30 DCEDMP C=CCO[C@H]1CCN(CC(O)C[N@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320859834 946043776 /nfs/dbraw/zinc/04/37/76/946043776.db2.gz XTEPNLOMLPUGKM-IRXDYDNUSA-N 2 1 310.438 0.901 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001273323478 946629521 /nfs/dbraw/zinc/62/95/21/946629521.db2.gz NTGQRILVGFPVHE-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC1 ZINC001323100295 946932843 /nfs/dbraw/zinc/93/28/43/946932843.db2.gz OLVWXSMXYJFYNZ-AEFFLSMTSA-N 2 1 319.449 0.607 20 30 DCEDMP C#CCCN1CCN(c2nnnn2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001262213969 947606250 /nfs/dbraw/zinc/60/62/50/947606250.db2.gz DYKCGCOYCKNTSN-OAHLLOKOSA-N 2 1 317.441 0.303 20 30 DCEDMP C#CCC[NH+]1CCN(c2nnnn2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001262213969 947606257 /nfs/dbraw/zinc/60/62/57/947606257.db2.gz DYKCGCOYCKNTSN-OAHLLOKOSA-N 2 1 317.441 0.303 20 30 DCEDMP C#CCC[NH+]1CCN(c2nnnn2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001262213969 947606262 /nfs/dbraw/zinc/60/62/62/947606262.db2.gz DYKCGCOYCKNTSN-OAHLLOKOSA-N 2 1 317.441 0.303 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001325160013 947686957 /nfs/dbraw/zinc/68/69/57/947686957.db2.gz IVUSYOYPFGMESV-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534263 947854070 /nfs/dbraw/zinc/85/40/70/947854070.db2.gz DNKMGFROLJOICE-ILXRZTDVSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001327576401 948558345 /nfs/dbraw/zinc/55/83/45/948558345.db2.gz GBVNAHPKPDKRLM-FUHWJXTLSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264636171 949051397 /nfs/dbraw/zinc/05/13/97/949051397.db2.gz OVXRCWZNTRSCMY-MRXNPFEDSA-N 2 1 321.465 0.944 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CCOCC[N@H+](C)CC)CC1 ZINC001264669352 949064529 /nfs/dbraw/zinc/06/45/29/949064529.db2.gz QTDGFKWJNNQMFD-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001488829973 949292203 /nfs/dbraw/zinc/29/22/03/949292203.db2.gz FIUPBIKBJKOLNZ-LUKYLMHMSA-N 2 1 321.465 0.851 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001489022118 949439567 /nfs/dbraw/zinc/43/95/67/949439567.db2.gz DFIDKIKHIJBGFC-ARFHVFGLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265222631 949465755 /nfs/dbraw/zinc/46/57/55/949465755.db2.gz IIYDBCQEXUDIKY-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265222631 949465767 /nfs/dbraw/zinc/46/57/67/949465767.db2.gz IIYDBCQEXUDIKY-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001265266433 949524143 /nfs/dbraw/zinc/52/41/43/949524143.db2.gz MXJXCODKHCYBCD-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001265266433 949524149 /nfs/dbraw/zinc/52/41/49/949524149.db2.gz MXJXCODKHCYBCD-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCOC)C2)CC1 ZINC001265318863 949600278 /nfs/dbraw/zinc/60/02/78/949600278.db2.gz FGDUUXTUZBMTFZ-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001330274268 950244497 /nfs/dbraw/zinc/24/44/97/950244497.db2.gz GJNWOPRZEWOIOW-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001330274268 950244517 /nfs/dbraw/zinc/24/45/17/950244517.db2.gz GJNWOPRZEWOIOW-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001330274268 950244535 /nfs/dbraw/zinc/24/45/35/950244535.db2.gz GJNWOPRZEWOIOW-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP CC#CC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCOCC2)CC1 ZINC001266193585 950456459 /nfs/dbraw/zinc/45/64/59/950456459.db2.gz LUPJNUWXGCKEOY-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266221419 950493728 /nfs/dbraw/zinc/49/37/28/950493728.db2.gz AGVZYVMOLRZMCL-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266221419 950493739 /nfs/dbraw/zinc/49/37/39/950493739.db2.gz AGVZYVMOLRZMCL-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266221419 950493749 /nfs/dbraw/zinc/49/37/49/950493749.db2.gz AGVZYVMOLRZMCL-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266221419 950493759 /nfs/dbraw/zinc/49/37/59/950493759.db2.gz AGVZYVMOLRZMCL-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001331054076 950861651 /nfs/dbraw/zinc/86/16/51/950861651.db2.gz OXNLDTRZUVBMGL-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001331504493 951146921 /nfs/dbraw/zinc/14/69/21/951146921.db2.gz OWCGCTKYEPNGIS-OCCSQVGLSA-N 2 1 321.425 0.319 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001332208368 951522604 /nfs/dbraw/zinc/52/26/04/951522604.db2.gz VQYQJVDDOUDZBF-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001332208368 951522612 /nfs/dbraw/zinc/52/26/12/951522612.db2.gz VQYQJVDDOUDZBF-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001332208368 951522615 /nfs/dbraw/zinc/52/26/15/951522615.db2.gz VQYQJVDDOUDZBF-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001332208368 951522622 /nfs/dbraw/zinc/52/26/22/951522622.db2.gz VQYQJVDDOUDZBF-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CC=C(C)C ZINC001332634559 951735281 /nfs/dbraw/zinc/73/52/81/951735281.db2.gz YRULAAMAHNKVDN-SJORKVTESA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC=C(C)C ZINC001332634559 951735289 /nfs/dbraw/zinc/73/52/89/951735289.db2.gz YRULAAMAHNKVDN-SJORKVTESA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CC=C(C)C ZINC001332634559 951735296 /nfs/dbraw/zinc/73/52/96/951735296.db2.gz YRULAAMAHNKVDN-SJORKVTESA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CC=C(C)C ZINC001332634559 951735301 /nfs/dbraw/zinc/73/53/01/951735301.db2.gz YRULAAMAHNKVDN-SJORKVTESA-N 2 1 321.465 0.801 20 30 DCEDMP C=CCN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274656841 951769559 /nfs/dbraw/zinc/76/95/59/951769559.db2.gz RXIRKXZMHYXSOA-WBVHZDCISA-N 2 1 309.454 0.800 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CCOC ZINC001332928256 951855505 /nfs/dbraw/zinc/85/55/05/951855505.db2.gz ZTCFTWCOTFXJHY-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CCOC ZINC001332928256 951855512 /nfs/dbraw/zinc/85/55/12/951855512.db2.gz ZTCFTWCOTFXJHY-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001336894220 952781156 /nfs/dbraw/zinc/78/11/56/952781156.db2.gz MNJXLHFQKPOAND-VXGBXAGGSA-N 2 1 320.359 0.863 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001338405789 953007282 /nfs/dbraw/zinc/00/72/82/953007282.db2.gz AVAMPWUHYUUGJN-UHFFFAOYSA-N 2 1 322.453 0.496 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001490822831 953049670 /nfs/dbraw/zinc/04/96/70/953049670.db2.gz OIRJWUIWUCHQPS-GJZGRUSLSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCOC ZINC001281940964 953422135 /nfs/dbraw/zinc/42/21/35/953422135.db2.gz DWVJJYSJPQYVJV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCOC ZINC001281940964 953422140 /nfs/dbraw/zinc/42/21/40/953422140.db2.gz DWVJJYSJPQYVJV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCOC ZINC001281940964 953422149 /nfs/dbraw/zinc/42/21/49/953422149.db2.gz DWVJJYSJPQYVJV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCOC ZINC001281940964 953422156 /nfs/dbraw/zinc/42/21/56/953422156.db2.gz DWVJJYSJPQYVJV-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001283032749 953939760 /nfs/dbraw/zinc/93/97/60/953939760.db2.gz QSBNIAIZHHVHPC-ZQDZILKHSA-N 2 1 322.453 0.256 20 30 DCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001283797687 954615815 /nfs/dbraw/zinc/61/58/15/954615815.db2.gz RFYXCHIADJWVAX-ZIAGYGMSSA-N 2 1 306.410 0.397 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001283998802 954762780 /nfs/dbraw/zinc/76/27/80/954762780.db2.gz JCRRFQISWYQSQT-ZFWWWQNUSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284067779 954825613 /nfs/dbraw/zinc/82/56/13/954825613.db2.gz MNWPIGCYVQRXFU-AEFFLSMTSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001284067779 954825625 /nfs/dbraw/zinc/82/56/25/954825625.db2.gz MNWPIGCYVQRXFU-AEFFLSMTSA-N 2 1 319.449 0.845 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001284443600 955100003 /nfs/dbraw/zinc/10/00/03/955100003.db2.gz DHGMHVTVLHESKY-ZBFHGGJFSA-N 2 1 318.421 0.186 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC=C(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001284994552 955397849 /nfs/dbraw/zinc/39/78/49/955397849.db2.gz HXEHMBRNFRHHTK-UHFFFAOYSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC=C(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001284994552 955397864 /nfs/dbraw/zinc/39/78/64/955397864.db2.gz HXEHMBRNFRHHTK-UHFFFAOYSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001284994552 955397875 /nfs/dbraw/zinc/39/78/75/955397875.db2.gz HXEHMBRNFRHHTK-UHFFFAOYSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001284994552 955397886 /nfs/dbraw/zinc/39/78/86/955397886.db2.gz HXEHMBRNFRHHTK-UHFFFAOYSA-N 2 1 322.453 0.377 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001295544335 957749553 /nfs/dbraw/zinc/74/95/53/957749553.db2.gz GRCKHMKCYAMQHY-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001295544335 957749559 /nfs/dbraw/zinc/74/95/59/957749559.db2.gz GRCKHMKCYAMQHY-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367579170 958102489 /nfs/dbraw/zinc/10/24/89/958102489.db2.gz KPHZYXPDFVYNRR-QWRGUYRKSA-N 2 1 320.231 0.056 20 30 DCEDMP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367579171 958104532 /nfs/dbraw/zinc/10/45/32/958104532.db2.gz KPHZYXPDFVYNRR-WDEREUQCSA-N 2 1 320.231 0.056 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001491815874 959257331 /nfs/dbraw/zinc/25/73/31/959257331.db2.gz IIEVOOXKVALHTA-ZDUSSCGKSA-N 2 1 304.394 0.811 20 30 DCEDMP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001316746376 960361111 /nfs/dbraw/zinc/36/11/11/960361111.db2.gz BBRTVKRCGCOFSR-MRXNPFEDSA-N 2 1 318.421 0.500 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001316746376 960361122 /nfs/dbraw/zinc/36/11/22/960361122.db2.gz BBRTVKRCGCOFSR-MRXNPFEDSA-N 2 1 318.421 0.500 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001316749197 960361993 /nfs/dbraw/zinc/36/19/93/960361993.db2.gz SQFHBXKDVUHYEL-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001316749197 960361994 /nfs/dbraw/zinc/36/19/94/960361994.db2.gz SQFHBXKDVUHYEL-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001316749197 960362002 /nfs/dbraw/zinc/36/20/02/960362002.db2.gz SQFHBXKDVUHYEL-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001369383184 964863811 /nfs/dbraw/zinc/86/38/11/964863811.db2.gz MOJNEXHNYHNZLU-JKSUJKDBSA-N 2 1 316.405 0.077 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001492816582 992545294 /nfs/dbraw/zinc/54/52/94/992545294.db2.gz IPPHDQRKFKXQHM-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001492816582 992545303 /nfs/dbraw/zinc/54/53/03/992545303.db2.gz IPPHDQRKFKXQHM-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001492816582 992545312 /nfs/dbraw/zinc/54/53/12/992545312.db2.gz IPPHDQRKFKXQHM-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001492816582 992545317 /nfs/dbraw/zinc/54/53/17/992545317.db2.gz IPPHDQRKFKXQHM-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCOC(C)C ZINC001507091676 1015975854 /nfs/dbraw/zinc/97/58/54/1015975854.db2.gz MKXTUVREBPCEIX-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCOC(C)C ZINC001507091676 1015975860 /nfs/dbraw/zinc/97/58/60/1015975860.db2.gz MKXTUVREBPCEIX-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001502835903 1016095397 /nfs/dbraw/zinc/09/53/97/1016095397.db2.gz DLGGBKKDCPOJSD-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001507207152 1016125095 /nfs/dbraw/zinc/12/50/95/1016125095.db2.gz HBMWOEQJDGUKNO-ZBFHGGJFSA-N 2 1 307.438 0.483 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502971003 1016140334 /nfs/dbraw/zinc/14/03/34/1016140334.db2.gz TYFDYSHSDARLGV-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C/C=C/Cl ZINC001507484963 1016395404 /nfs/dbraw/zinc/39/54/04/1016395404.db2.gz NXPUBYFFYBCRBM-MPCGPATOSA-N 2 1 313.829 0.245 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]C/C=C/Cl ZINC001507484963 1016395408 /nfs/dbraw/zinc/39/54/08/1016395408.db2.gz NXPUBYFFYBCRBM-MPCGPATOSA-N 2 1 313.829 0.245 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001505848204 1016610360 /nfs/dbraw/zinc/61/03/60/1016610360.db2.gz MMRMUFGSHNGPME-AWEZNQCLSA-N 2 1 324.469 0.315 20 30 DCEDMP COCC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001508081799 1016646059 /nfs/dbraw/zinc/64/60/59/1016646059.db2.gz ANECZOLHKHVGJE-DOTOQJQBSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407382649 1004611027 /nfs/dbraw/zinc/61/10/27/1004611027.db2.gz XYLHOCWKBRCBQT-ZFWWWQNUSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001407382649 1004611030 /nfs/dbraw/zinc/61/10/30/1004611030.db2.gz XYLHOCWKBRCBQT-ZFWWWQNUSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001407382649 1004611034 /nfs/dbraw/zinc/61/10/34/1004611034.db2.gz XYLHOCWKBRCBQT-ZFWWWQNUSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001407382649 1004611035 /nfs/dbraw/zinc/61/10/35/1004611035.db2.gz XYLHOCWKBRCBQT-ZFWWWQNUSA-N 2 1 315.845 0.634 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001506096361 1017010267 /nfs/dbraw/zinc/01/02/67/1017010267.db2.gz LAUFTGLCKUMELY-HNNXBMFYSA-N 2 1 307.438 0.457 20 30 DCEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001422013834 1009400804 /nfs/dbraw/zinc/40/08/04/1009400804.db2.gz PNUYKKCLJPLLIU-CYBMUJFWSA-N 2 1 315.845 0.946 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001423252551 1011019061 /nfs/dbraw/zinc/01/90/61/1011019061.db2.gz SPZSOISLMRYHBJ-KGLIPLIRSA-N 2 1 317.861 0.928 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001423252551 1011019064 /nfs/dbraw/zinc/01/90/64/1011019064.db2.gz SPZSOISLMRYHBJ-KGLIPLIRSA-N 2 1 317.861 0.928 20 30 DCEDMP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC001423261433 1011024530 /nfs/dbraw/zinc/02/45/30/1011024530.db2.gz VHQYVBHBDRQALS-AWEZNQCLSA-N 2 1 322.384 0.216 20 30 DCEDMP C#CC1(O)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC001520996242 1017323842 /nfs/dbraw/zinc/32/38/42/1017323842.db2.gz ZYZRCOOLJRUQIC-HNNXBMFYSA-N 2 1 324.469 0.428 20 30 DCEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001479332081 1017502537 /nfs/dbraw/zinc/50/25/37/1017502537.db2.gz YEGJPECAVJIRAJ-CALCHBBNSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001479641170 1017618881 /nfs/dbraw/zinc/61/88/81/1017618881.db2.gz OXKWQIYPNUEQOM-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001479641170 1017618886 /nfs/dbraw/zinc/61/88/86/1017618886.db2.gz OXKWQIYPNUEQOM-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001479967861 1018070527 /nfs/dbraw/zinc/07/05/27/1018070527.db2.gz OMGOZCIHAJVDCV-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H](NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001479967861 1018070541 /nfs/dbraw/zinc/07/05/41/1018070541.db2.gz OMGOZCIHAJVDCV-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001479967861 1018070555 /nfs/dbraw/zinc/07/05/55/1018070555.db2.gz OMGOZCIHAJVDCV-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001479967861 1018070565 /nfs/dbraw/zinc/07/05/65/1018070565.db2.gz OMGOZCIHAJVDCV-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCCO)CC1 ZINC001500054021 1018190605 /nfs/dbraw/zinc/19/06/05/1018190605.db2.gz HYEWJRXUBRFSGI-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001500076757 1018206657 /nfs/dbraw/zinc/20/66/57/1018206657.db2.gz KQBPACMYOMUPMN-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001500076757 1018206666 /nfs/dbraw/zinc/20/66/66/1018206666.db2.gz KQBPACMYOMUPMN-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001500171512 1018267560 /nfs/dbraw/zinc/26/75/60/1018267560.db2.gz WLLIVLRLQWRCGU-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500257330 1018353555 /nfs/dbraw/zinc/35/35/55/1018353555.db2.gz JOTCKVVFKUHBSI-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500257330 1018353565 /nfs/dbraw/zinc/35/35/65/1018353565.db2.gz JOTCKVVFKUHBSI-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500257330 1018353572 /nfs/dbraw/zinc/35/35/72/1018353572.db2.gz JOTCKVVFKUHBSI-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500257330 1018353582 /nfs/dbraw/zinc/35/35/82/1018353582.db2.gz JOTCKVVFKUHBSI-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001500279983 1018374937 /nfs/dbraw/zinc/37/49/37/1018374937.db2.gz JOZFSGUMBDOBQE-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001500279983 1018374951 /nfs/dbraw/zinc/37/49/51/1018374951.db2.gz JOZFSGUMBDOBQE-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001500279983 1018374967 /nfs/dbraw/zinc/37/49/67/1018374967.db2.gz JOZFSGUMBDOBQE-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480277739 1018396541 /nfs/dbraw/zinc/39/65/41/1018396541.db2.gz CGHKLXPFCOFWHH-KGLIPLIRSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480277739 1018396544 /nfs/dbraw/zinc/39/65/44/1018396544.db2.gz CGHKLXPFCOFWHH-KGLIPLIRSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001502044114 1019653616 /nfs/dbraw/zinc/65/36/16/1019653616.db2.gz TWJQUCMFNBHGLE-CHWSQXEVSA-N 2 1 301.818 0.650 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001496921679 1019760242 /nfs/dbraw/zinc/76/02/42/1019760242.db2.gz AGOCKMHTXRMXSR-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000367494800 282272041 /nfs/dbraw/zinc/27/20/41/282272041.db2.gz HPQKQTLXIONAFA-HRCADAONSA-N 2 1 322.453 0.932 20 30 DCEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129801829 395921004 /nfs/dbraw/zinc/92/10/04/395921004.db2.gz GUVVKCVNNURGAX-INIZCTEOSA-N 2 1 323.485 0.564 20 30 DCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580184636 396491553 /nfs/dbraw/zinc/49/15/53/396491553.db2.gz LXGOQLZHIRYVEC-CQSZACIVSA-N 2 1 309.370 0.392 20 30 DCEDMP CC(C)C[NH2+]C1(CO)CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000595512454 396620292 /nfs/dbraw/zinc/62/02/92/396620292.db2.gz OBPOYWOOPUBVMS-UHFFFAOYSA-N 2 1 324.469 0.821 20 30 DCEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595978009 396702115 /nfs/dbraw/zinc/70/21/15/396702115.db2.gz RPMXPKWSYYDYKU-JKSUJKDBSA-N 2 1 321.469 0.634 20 30 DCEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595978009 396702119 /nfs/dbraw/zinc/70/21/19/396702119.db2.gz RPMXPKWSYYDYKU-JKSUJKDBSA-N 2 1 321.469 0.634 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000341913410 416251194 /nfs/dbraw/zinc/25/11/94/416251194.db2.gz RYYXXIMSYZKXOB-CKYTUPMTSA-N 2 1 304.434 0.395 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[N@@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000341913410 416251196 /nfs/dbraw/zinc/25/11/96/416251196.db2.gz RYYXXIMSYZKXOB-CKYTUPMTSA-N 2 1 304.434 0.395 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[N@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000341913410 416251199 /nfs/dbraw/zinc/25/11/99/416251199.db2.gz RYYXXIMSYZKXOB-CKYTUPMTSA-N 2 1 304.434 0.395 20 30 DCEDMP Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C#N ZINC000359768083 416357620 /nfs/dbraw/zinc/35/76/20/416357620.db2.gz QDYGQOYSPWSLSH-AWEZNQCLSA-N 2 1 303.410 0.574 20 30 DCEDMP Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1C#N ZINC000359768083 416357621 /nfs/dbraw/zinc/35/76/21/416357621.db2.gz QDYGQOYSPWSLSH-AWEZNQCLSA-N 2 1 303.410 0.574 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000491327985 416595800 /nfs/dbraw/zinc/59/58/00/416595800.db2.gz ZNNGJLGFVZNSKO-HOTGVXAUSA-N 2 1 324.469 0.740 20 30 DCEDMP C#CCN1CCN(C(=O)CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000490865561 416578133 /nfs/dbraw/zinc/57/81/33/416578133.db2.gz DSBIJPUOHWMONH-DLBZAZTESA-N 2 1 320.481 0.426 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369398080 416768002 /nfs/dbraw/zinc/76/80/02/416768002.db2.gz LMHLGLRQAZAWQX-JKSUJKDBSA-N 2 1 308.470 0.777 20 30 DCEDMP C=CCCn1cc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nn1 ZINC000657349157 417852100 /nfs/dbraw/zinc/85/21/00/417852100.db2.gz COLUHNADTGRXML-AWEZNQCLSA-N 2 1 320.441 0.531 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2n1CCCCC2 ZINC000104156321 279303618 /nfs/dbraw/zinc/30/36/18/279303618.db2.gz CWQLPWYZWXETSZ-CYBMUJFWSA-N 2 1 319.457 0.893 20 30 DCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000329266986 290087541 /nfs/dbraw/zinc/08/75/41/290087541.db2.gz FYEHESXAXTVFPJ-ZQDZILKHSA-N 2 1 324.469 0.913 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000329266986 290087544 /nfs/dbraw/zinc/08/75/44/290087544.db2.gz FYEHESXAXTVFPJ-ZQDZILKHSA-N 2 1 324.469 0.913 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000329266986 290087547 /nfs/dbraw/zinc/08/75/47/290087547.db2.gz FYEHESXAXTVFPJ-ZQDZILKHSA-N 2 1 324.469 0.913 20 30 DCEDMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC#CCOC)CC1)[NH+](C)C ZINC001570184242 1161484815 /nfs/dbraw/zinc/48/48/15/1161484815.db2.gz ZLFJSBSYIGLJJP-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261843719 526377370 /nfs/dbraw/zinc/37/73/70/526377370.db2.gz WWVIKNNAUJGKRU-UKRRQHHQSA-N 2 1 320.441 0.321 20 30 DCEDMP C=CCNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264121102 526388510 /nfs/dbraw/zinc/38/85/10/526388510.db2.gz RAIRQQJZHPCICI-UHFFFAOYSA-N 2 1 303.414 0.079 20 30 DCEDMP C[NH+]=C(NCc1nc(C)no1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261859316 526390275 /nfs/dbraw/zinc/39/02/75/526390275.db2.gz YFXBMMXGFIUQJE-ZDUSSCGKSA-N 2 1 322.413 0.108 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@@]2(CCOC2)C1 ZINC000261932452 528810985 /nfs/dbraw/zinc/81/09/85/528810985.db2.gz BQEWJSNLYBALKV-NVXWUHKLSA-N 2 1 323.485 0.310 20 30 DCEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1ccon1 ZINC000261836167 528814900 /nfs/dbraw/zinc/81/49/00/528814900.db2.gz WBJNKIQDJIHQTL-AWEZNQCLSA-N 2 1 308.430 0.318 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264308407 529073030 /nfs/dbraw/zinc/07/30/30/529073030.db2.gz UMRGRRUJMLMYBG-HZPDHXFCSA-N 2 1 304.438 0.979 20 30 DCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)C[C@H]1CCOC1 ZINC000261604018 661317811 /nfs/dbraw/zinc/31/78/11/661317811.db2.gz CXMKSCAILWRCLB-UKRRQHHQSA-N 2 1 314.499 0.967 20 30 DCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981785273 661216919 /nfs/dbraw/zinc/21/69/19/661216919.db2.gz ZKHVPIGQVRSXRJ-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981785273 661216920 /nfs/dbraw/zinc/21/69/20/661216920.db2.gz ZKHVPIGQVRSXRJ-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981785273 661216921 /nfs/dbraw/zinc/21/69/21/661216921.db2.gz ZKHVPIGQVRSXRJ-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001022220859 657567485 /nfs/dbraw/zinc/56/74/85/657567485.db2.gz RYZLFLKCCPBZLF-LZWOXQAQSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001022220859 657567490 /nfs/dbraw/zinc/56/74/90/657567490.db2.gz RYZLFLKCCPBZLF-LZWOXQAQSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535393 657649501 /nfs/dbraw/zinc/64/95/01/657649501.db2.gz UWINOAHJVYIJOD-GOSISDBHSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535393 657649506 /nfs/dbraw/zinc/64/95/06/657649506.db2.gz UWINOAHJVYIJOD-GOSISDBHSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000971789564 657673235 /nfs/dbraw/zinc/67/32/35/657673235.db2.gz PFDXCZYUSMZFBZ-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCN1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552624 657763575 /nfs/dbraw/zinc/76/35/75/657763575.db2.gz QJXSGINPXVXPOY-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553132 657767430 /nfs/dbraw/zinc/76/74/30/657767430.db2.gz ZXVGSAIGKFUGQQ-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553132 657767435 /nfs/dbraw/zinc/76/74/35/657767435.db2.gz ZXVGSAIGKFUGQQ-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553132 657767442 /nfs/dbraw/zinc/76/74/42/657767442.db2.gz ZXVGSAIGKFUGQQ-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553132 657767447 /nfs/dbraw/zinc/76/74/47/657767447.db2.gz ZXVGSAIGKFUGQQ-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553134 657768052 /nfs/dbraw/zinc/76/80/52/657768052.db2.gz ZXVGSAIGKFUGQQ-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553134 657768063 /nfs/dbraw/zinc/76/80/63/657768063.db2.gz ZXVGSAIGKFUGQQ-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553134 657768066 /nfs/dbraw/zinc/76/80/66/657768066.db2.gz ZXVGSAIGKFUGQQ-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553134 657768075 /nfs/dbraw/zinc/76/80/75/657768075.db2.gz ZXVGSAIGKFUGQQ-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969687315 658079783 /nfs/dbraw/zinc/07/97/83/658079783.db2.gz MWQXNNKKPPBZOL-CQSZACIVSA-N 2 1 317.437 0.518 20 30 DCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970170498 658689199 /nfs/dbraw/zinc/68/91/99/658689199.db2.gz STJITZSQIPWMJE-QBPRILJRSA-N 2 1 317.433 0.309 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675583 665607215 /nfs/dbraw/zinc/60/72/15/665607215.db2.gz CINFTQKBBWZAFL-HOTGVXAUSA-N 2 1 317.437 0.920 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675583 665607217 /nfs/dbraw/zinc/60/72/17/665607217.db2.gz CINFTQKBBWZAFL-HOTGVXAUSA-N 2 1 317.437 0.920 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999350736 665634276 /nfs/dbraw/zinc/63/42/76/665634276.db2.gz ATWYBLJOXMIEOI-CABCVRRESA-N 2 1 303.410 0.027 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](F)CC)C[C@H]21 ZINC001025814102 659576795 /nfs/dbraw/zinc/57/67/95/659576795.db2.gz STHHYMXJASAZIO-OWYFMNJBSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](F)CC)C[C@H]21 ZINC001025814102 659576798 /nfs/dbraw/zinc/57/67/98/659576798.db2.gz STHHYMXJASAZIO-OWYFMNJBSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](F)CC)C[C@H]21 ZINC001025814102 659576802 /nfs/dbraw/zinc/57/68/02/659576802.db2.gz STHHYMXJASAZIO-OWYFMNJBSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](F)CC)C[C@H]21 ZINC001025814102 659576807 /nfs/dbraw/zinc/57/68/07/659576807.db2.gz STHHYMXJASAZIO-OWYFMNJBSA-N 2 1 307.413 0.879 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)NC[C@@]1(C)CCCO1 ZINC000261708123 661495253 /nfs/dbraw/zinc/49/52/53/661495253.db2.gz GZDLOJWNKFPIQF-GDBMZVCRSA-N 2 1 311.474 0.356 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699518 661766623 /nfs/dbraw/zinc/76/66/23/661766623.db2.gz ZLQJGGQKJTXYOG-UERKLNTKSA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028699518 661766624 /nfs/dbraw/zinc/76/66/24/661766624.db2.gz ZLQJGGQKJTXYOG-UERKLNTKSA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028699518 661766626 /nfs/dbraw/zinc/76/66/26/661766626.db2.gz ZLQJGGQKJTXYOG-UERKLNTKSA-N 2 1 317.433 0.311 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028857345 661852657 /nfs/dbraw/zinc/85/26/57/661852657.db2.gz WYQLFFKRPALMPO-AWEZNQCLSA-N 2 1 305.426 0.682 20 30 DCEDMP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000262264718 662261867 /nfs/dbraw/zinc/26/18/67/662261867.db2.gz FQFASOIARQBQKJ-DZGCQCFKSA-N 2 1 321.469 0.599 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000896568552 662293199 /nfs/dbraw/zinc/29/31/99/662293199.db2.gz NYDYFWQRZXDCIX-ZBFHGGJFSA-N 2 1 306.454 0.082 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971974 665892583 /nfs/dbraw/zinc/89/25/83/665892583.db2.gz GWXJIAIHDSDROV-JKSUJKDBSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971974 665892585 /nfs/dbraw/zinc/89/25/85/665892585.db2.gz GWXJIAIHDSDROV-JKSUJKDBSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971974 665892588 /nfs/dbraw/zinc/89/25/88/665892588.db2.gz GWXJIAIHDSDROV-JKSUJKDBSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971974 665892591 /nfs/dbraw/zinc/89/25/91/665892591.db2.gz GWXJIAIHDSDROV-JKSUJKDBSA-N 2 1 321.465 0.946 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000900190105 663224017 /nfs/dbraw/zinc/22/40/17/663224017.db2.gz BFKDYEUSLVXVLI-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358276 664122098 /nfs/dbraw/zinc/12/20/98/664122098.db2.gz IODPUFQXLRFLQK-ANQUJSFKSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358276 664122099 /nfs/dbraw/zinc/12/20/99/664122099.db2.gz IODPUFQXLRFLQK-ANQUJSFKSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358276 664122101 /nfs/dbraw/zinc/12/21/01/664122101.db2.gz IODPUFQXLRFLQK-ANQUJSFKSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358276 664122104 /nfs/dbraw/zinc/12/21/04/664122104.db2.gz IODPUFQXLRFLQK-ANQUJSFKSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000916841755 665097014 /nfs/dbraw/zinc/09/70/14/665097014.db2.gz HXXZYADPAJTDBQ-HZPDHXFCSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000918229610 665160905 /nfs/dbraw/zinc/16/09/05/665160905.db2.gz VOYGRDHREYETMO-UHFFFAOYSA-N 2 1 310.467 0.432 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](CC)OC)C1 ZINC001031741318 665395861 /nfs/dbraw/zinc/39/58/61/665395861.db2.gz WESFYYACOVHPDC-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](CC)OC)C1 ZINC001031741318 665395863 /nfs/dbraw/zinc/39/58/63/665395863.db2.gz WESFYYACOVHPDC-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567272 666020488 /nfs/dbraw/zinc/02/04/88/666020488.db2.gz PWTPFMYBQRNEIW-RDJZCZTQSA-N 2 1 320.481 0.589 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647159 666082029 /nfs/dbraw/zinc/08/20/29/666082029.db2.gz SINIASQYELBMOI-PQUAAJSLSA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001756636 666098725 /nfs/dbraw/zinc/09/87/25/666098725.db2.gz GCYWRIGWBIRRAL-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001016330912 666218092 /nfs/dbraw/zinc/21/80/92/666218092.db2.gz HRMIXQKKJMVJOH-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278513 666658977 /nfs/dbraw/zinc/65/89/77/666658977.db2.gz POMVKSJNHABXKA-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278513 666658978 /nfs/dbraw/zinc/65/89/78/666658978.db2.gz POMVKSJNHABXKA-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278513 666658980 /nfs/dbraw/zinc/65/89/80/666658980.db2.gz POMVKSJNHABXKA-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712682 666683796 /nfs/dbraw/zinc/68/37/96/666683796.db2.gz UZNQUKGDXBCEMO-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712682 666683798 /nfs/dbraw/zinc/68/37/98/666683798.db2.gz UZNQUKGDXBCEMO-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014712682 666683800 /nfs/dbraw/zinc/68/38/00/666683800.db2.gz UZNQUKGDXBCEMO-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014712682 666683801 /nfs/dbraw/zinc/68/38/01/666683801.db2.gz UZNQUKGDXBCEMO-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905451 666864141 /nfs/dbraw/zinc/86/41/41/666864141.db2.gz LEYADBDOYMSNDN-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905451 666864144 /nfs/dbraw/zinc/86/41/44/666864144.db2.gz LEYADBDOYMSNDN-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905451 666864146 /nfs/dbraw/zinc/86/41/46/666864146.db2.gz LEYADBDOYMSNDN-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905451 666864152 /nfs/dbraw/zinc/86/41/52/666864152.db2.gz LEYADBDOYMSNDN-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033986283 666883411 /nfs/dbraw/zinc/88/34/11/666883411.db2.gz OBKBERHJOLJLDV-MRXNPFEDSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033986283 666883413 /nfs/dbraw/zinc/88/34/13/666883413.db2.gz OBKBERHJOLJLDV-MRXNPFEDSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001034045824 666907008 /nfs/dbraw/zinc/90/70/08/666907008.db2.gz NJDWQQRJUDLMPO-QGZVFWFLSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997150007 667175298 /nfs/dbraw/zinc/17/52/98/667175298.db2.gz TYUQUYJSRPMVRT-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997150007 667175299 /nfs/dbraw/zinc/17/52/99/667175299.db2.gz TYUQUYJSRPMVRT-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997434178 667286567 /nfs/dbraw/zinc/28/65/67/667286567.db2.gz HGYRJSOVKZSLLB-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997434178 667286569 /nfs/dbraw/zinc/28/65/69/667286569.db2.gz HGYRJSOVKZSLLB-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997437103 667287153 /nfs/dbraw/zinc/28/71/53/667287153.db2.gz XEIHVYSMOWPWEX-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997437103 667287154 /nfs/dbraw/zinc/28/71/54/667287154.db2.gz XEIHVYSMOWPWEX-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C[NH+]1CCOCC1 ZINC000884205868 667498131 /nfs/dbraw/zinc/49/81/31/667498131.db2.gz HRRNMGNIEUFENH-GJEMEMOUSA-N 2 1 320.437 0.210 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)/C=C(\C)CN2CCOCC2)C1 ZINC000923557370 667563687 /nfs/dbraw/zinc/56/36/87/667563687.db2.gz MCFYUPAWYDBIJH-ASNKMWSDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000838622829 667701679 /nfs/dbraw/zinc/70/16/79/667701679.db2.gz PNCMMRQTMTXCQV-HOTGVXAUSA-N 2 1 322.453 0.182 20 30 DCEDMP CN(C)c1ncc(C=[NH+]NC(=S)NCCC[NH+](C)C)n1C ZINC000811642305 670540533 /nfs/dbraw/zinc/54/05/33/670540533.db2.gz MACDWIGIMHWRLO-UHFFFAOYSA-N 2 1 311.459 0.236 20 30 DCEDMP C#C[C@@](C)(CC)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000852098487 671088045 /nfs/dbraw/zinc/08/80/45/671088045.db2.gz OMNZHJXRIDTRCH-WBVHZDCISA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCN(CC#CC)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820080526 671163338 /nfs/dbraw/zinc/16/33/38/671163338.db2.gz CYGIHVSLFSDAHI-INIZCTEOSA-N 2 1 306.454 0.927 20 30 DCEDMP C#CCN(CC#CC)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820080526 671163341 /nfs/dbraw/zinc/16/33/41/671163341.db2.gz CYGIHVSLFSDAHI-INIZCTEOSA-N 2 1 306.454 0.927 20 30 DCEDMP CC(C)[NH+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)C ZINC000303715849 685205677 /nfs/dbraw/zinc/20/56/77/685205677.db2.gz SHWXZWGPZSCUPQ-UHFFFAOYSA-N 3 1 313.490 0.732 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1Cc2ccccc21 ZINC000303895553 685208710 /nfs/dbraw/zinc/20/87/10/685208710.db2.gz TYWYTCHYAWXGIH-OAHLLOKOSA-N 2 1 302.422 0.953 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958262112 687490541 /nfs/dbraw/zinc/49/05/41/687490541.db2.gz GXRXYDWLICCGCE-HOCLYGCPSA-N 2 1 314.389 0.933 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC000958344426 687562894 /nfs/dbraw/zinc/56/28/94/687562894.db2.gz HLGDLNMCULLROT-HUUCEWRRSA-N 2 1 319.405 0.387 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481770 687695628 /nfs/dbraw/zinc/69/56/28/687695628.db2.gz RYDWRMHHOWNMMF-SJORKVTESA-N 2 1 315.417 0.404 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554949 687741397 /nfs/dbraw/zinc/74/13/97/687741397.db2.gz JFIIJSZAHRFVNJ-HOTGVXAUSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958600356 687786515 /nfs/dbraw/zinc/78/65/15/687786515.db2.gz ZLQZKRZZOXSXFX-CZUORRHYSA-N 2 1 316.405 0.193 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959957878 688269207 /nfs/dbraw/zinc/26/92/07/688269207.db2.gz VFAXKZLGJFWUCQ-FOLVSLTJSA-N 2 1 317.437 0.681 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961613225 688674982 /nfs/dbraw/zinc/67/49/82/688674982.db2.gz ZWOLAGHWVGLQCP-SIXLDLHFSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961613225 688674984 /nfs/dbraw/zinc/67/49/84/688674984.db2.gz ZWOLAGHWVGLQCP-SIXLDLHFSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968796688 690392728 /nfs/dbraw/zinc/39/27/28/690392728.db2.gz NEOVPLSDZNNXOQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968796688 690392732 /nfs/dbraw/zinc/39/27/32/690392732.db2.gz NEOVPLSDZNNXOQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796688 690392735 /nfs/dbraw/zinc/39/27/35/690392735.db2.gz NEOVPLSDZNNXOQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796688 690392737 /nfs/dbraw/zinc/39/27/37/690392737.db2.gz NEOVPLSDZNNXOQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008830448 690932036 /nfs/dbraw/zinc/93/20/36/690932036.db2.gz XRJCJGGDZSPUJS-OAHLLOKOSA-N 2 1 305.426 0.825 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001019241523 693404933 /nfs/dbraw/zinc/40/49/33/693404933.db2.gz FGVKZOBQKFJXMY-RRFJBIMHSA-N 2 1 320.437 0.058 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccon3)C2)CC1 ZINC001019813575 693594492 /nfs/dbraw/zinc/59/44/92/693594492.db2.gz HGJMKWNPRYKIDE-INIZCTEOSA-N 2 1 316.405 0.710 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850267 694674574 /nfs/dbraw/zinc/67/45/74/694674574.db2.gz ULQMPQNPXOKJHF-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850267 694674576 /nfs/dbraw/zinc/67/45/76/694674576.db2.gz ULQMPQNPXOKJHF-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850267 694674577 /nfs/dbraw/zinc/67/45/77/694674577.db2.gz ULQMPQNPXOKJHF-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850267 694674579 /nfs/dbraw/zinc/67/45/79/694674579.db2.gz ULQMPQNPXOKJHF-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](C[C@H](C)O)C3)CC1 ZINC001073457343 694728940 /nfs/dbraw/zinc/72/89/40/694728940.db2.gz LUUIGKIVEMMULK-HNNXBMFYSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCF)C3)CC1 ZINC001073455234 694729108 /nfs/dbraw/zinc/72/91/08/694729108.db2.gz DCQODPRYIMARHA-UHFFFAOYSA-N 2 1 307.413 0.835 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070731 694996961 /nfs/dbraw/zinc/99/69/61/694996961.db2.gz YXRYNLGZQXEOND-HNCZQISISA-N 2 1 317.433 0.568 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070731 694996962 /nfs/dbraw/zinc/99/69/62/694996962.db2.gz YXRYNLGZQXEOND-HNCZQISISA-N 2 1 317.433 0.568 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070731 694996963 /nfs/dbraw/zinc/99/69/63/694996963.db2.gz YXRYNLGZQXEOND-HNCZQISISA-N 2 1 317.433 0.568 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001571335785 1162706004 /nfs/dbraw/zinc/70/60/04/1162706004.db2.gz WRDWWOOKCSPUIP-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001571353593 1162715172 /nfs/dbraw/zinc/71/51/72/1162715172.db2.gz CPEPTCIMXMPAFC-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001571487314 1162778867 /nfs/dbraw/zinc/77/88/67/1162778867.db2.gz PTTGUCCEJAEZGU-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001571492132 1162781835 /nfs/dbraw/zinc/78/18/35/1162781835.db2.gz ZZSRCHRHAJZIRM-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOCC)C(C)(C)C1 ZINC001571558521 1162811149 /nfs/dbraw/zinc/81/11/49/1162811149.db2.gz LMYKBBDMINBLMO-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOCC)C(C)(C)C1 ZINC001571558521 1162811157 /nfs/dbraw/zinc/81/11/57/1162811157.db2.gz LMYKBBDMINBLMO-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001691794695 1157397499 /nfs/dbraw/zinc/39/74/99/1157397499.db2.gz LSZPITBNZGOWKW-JOCQHMNTSA-N 2 1 304.394 0.858 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@H]1CCCO1 ZINC001691349972 1157649615 /nfs/dbraw/zinc/64/96/15/1157649615.db2.gz IJFMBAHKIKIAFE-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@H]1CCCO1 ZINC001691349972 1157649619 /nfs/dbraw/zinc/64/96/19/1157649619.db2.gz IJFMBAHKIKIAFE-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001691446795 1157775648 /nfs/dbraw/zinc/77/56/48/1157775648.db2.gz FPIUQWSFGHRNAJ-JONQDZQNSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001691446795 1157775651 /nfs/dbraw/zinc/77/56/51/1157775651.db2.gz FPIUQWSFGHRNAJ-JONQDZQNSA-N 2 1 307.438 0.603 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC#CCOC)C1 ZINC001753875150 1158079723 /nfs/dbraw/zinc/07/97/23/1158079723.db2.gz FZFQLWSASZGEFH-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC#CCOC)C1 ZINC001753875150 1158079726 /nfs/dbraw/zinc/07/97/26/1158079726.db2.gz FZFQLWSASZGEFH-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC#CCOC)C1 ZINC001753875150 1158079733 /nfs/dbraw/zinc/07/97/33/1158079733.db2.gz FZFQLWSASZGEFH-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001732597659 1158123734 /nfs/dbraw/zinc/12/37/34/1158123734.db2.gz QBPFQAUPCBTNNX-UHFFFAOYSA-N 2 1 309.454 0.902 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691528985 1158216857 /nfs/dbraw/zinc/21/68/57/1158216857.db2.gz VMOSFHFYCBBGMD-IRXDYDNUSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001691669863 1158696198 /nfs/dbraw/zinc/69/61/98/1158696198.db2.gz BZKSOKUGZGAGEP-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001566060998 1159957986 /nfs/dbraw/zinc/95/79/86/1159957986.db2.gz QXLJQZFJSMDXQK-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001566640213 1160106982 /nfs/dbraw/zinc/10/69/82/1160106982.db2.gz WUVXVMKHDUUEED-MRXNPFEDSA-N 2 1 321.469 0.507 20 30 DCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001566640213 1160106987 /nfs/dbraw/zinc/10/69/87/1160106987.db2.gz WUVXVMKHDUUEED-MRXNPFEDSA-N 2 1 321.469 0.507 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001567419958 1160359473 /nfs/dbraw/zinc/35/94/73/1160359473.db2.gz YNVIXPGHHQXONO-AWEZNQCLSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001567419958 1160359479 /nfs/dbraw/zinc/35/94/79/1160359479.db2.gz YNVIXPGHHQXONO-AWEZNQCLSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001567419958 1160359483 /nfs/dbraw/zinc/35/94/83/1160359483.db2.gz YNVIXPGHHQXONO-AWEZNQCLSA-N 2 1 310.442 0.067 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CCOC ZINC001568175834 1160590684 /nfs/dbraw/zinc/59/06/84/1160590684.db2.gz NKVZDEFIEFJZLY-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cncc(F)c1 ZINC001569061770 1160931179 /nfs/dbraw/zinc/93/11/79/1160931179.db2.gz JSWRIYYDVQZJFI-BBRMVZONSA-N 2 1 318.396 0.913 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cncc(F)c1 ZINC001569061770 1160931182 /nfs/dbraw/zinc/93/11/82/1160931182.db2.gz JSWRIYYDVQZJFI-BBRMVZONSA-N 2 1 318.396 0.913 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001569136591 1160955444 /nfs/dbraw/zinc/95/54/44/1160955444.db2.gz VLHFWZRGAKPSBR-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001569755970 1161228770 /nfs/dbraw/zinc/22/87/70/1161228770.db2.gz OCIYCZDIMHSUEI-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001569755970 1161228773 /nfs/dbraw/zinc/22/87/73/1161228773.db2.gz OCIYCZDIMHSUEI-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001569755970 1161228775 /nfs/dbraw/zinc/22/87/75/1161228775.db2.gz OCIYCZDIMHSUEI-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)CC[NH3+])CC2)cc1 ZINC001574244949 1163672508 /nfs/dbraw/zinc/67/25/08/1163672508.db2.gz CCISSOVYOLDTJT-UHFFFAOYSA-N 2 1 322.434 0.354 20 30 DCEDMP N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)CC[NH3+])CC2)cc1 ZINC001574244949 1163672513 /nfs/dbraw/zinc/67/25/13/1163672513.db2.gz CCISSOVYOLDTJT-UHFFFAOYSA-N 2 1 322.434 0.354 20 30 DCEDMP C#CCNC(=O)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001574707545 1163740795 /nfs/dbraw/zinc/74/07/95/1163740795.db2.gz VMFLVGJXSOCBEA-IYBDPMFKSA-N 2 1 304.438 0.027 20 30 DCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001649976087 1173354607 /nfs/dbraw/zinc/35/46/07/1173354607.db2.gz OGLGPLWBMBFRFR-KRIMKBQASA-N 2 1 320.437 0.353 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001663363202 1174289933 /nfs/dbraw/zinc/28/99/33/1174289933.db2.gz BOUKEZFZTLQTEP-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001663536894 1174316843 /nfs/dbraw/zinc/31/68/43/1174316843.db2.gz GPFWHZMCXHVMGV-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001663645457 1174339257 /nfs/dbraw/zinc/33/92/57/1174339257.db2.gz VHOVIGYCBCNYQV-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001663645457 1174339262 /nfs/dbraw/zinc/33/92/62/1174339262.db2.gz VHOVIGYCBCNYQV-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001663645457 1174339274 /nfs/dbraw/zinc/33/92/74/1174339274.db2.gz VHOVIGYCBCNYQV-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001665304916 1174502998 /nfs/dbraw/zinc/50/29/98/1174502998.db2.gz AOLHBKFKFQXQBS-DZGCQCFKSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@H]2CCCCN2C)C1 ZINC001665304916 1174503005 /nfs/dbraw/zinc/50/30/05/1174503005.db2.gz AOLHBKFKFQXQBS-DZGCQCFKSA-N 2 1 322.453 0.209 20 30 DCEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001666323210 1174598572 /nfs/dbraw/zinc/59/85/72/1174598572.db2.gz GZVFUCUDLMZIAH-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001666323210 1174598578 /nfs/dbraw/zinc/59/85/78/1174598578.db2.gz GZVFUCUDLMZIAH-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001668184785 1174765702 /nfs/dbraw/zinc/76/57/02/1174765702.db2.gz GQQUDIJRYOWQSN-JYJNAYRXSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCOCC1 ZINC001669826919 1174955073 /nfs/dbraw/zinc/95/50/73/1174955073.db2.gz QMGBDBNDORVHNC-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCOCC1 ZINC001669826919 1174955075 /nfs/dbraw/zinc/95/50/75/1174955075.db2.gz QMGBDBNDORVHNC-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCOCC1 ZINC001669826919 1174955078 /nfs/dbraw/zinc/95/50/78/1174955078.db2.gz QMGBDBNDORVHNC-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCOCC1 ZINC001669826919 1174955081 /nfs/dbraw/zinc/95/50/81/1174955081.db2.gz QMGBDBNDORVHNC-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672043713 1175069358 /nfs/dbraw/zinc/06/93/58/1175069358.db2.gz AOPNPMZHLFZHBR-SJLPKXTDSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001672485941 1175114800 /nfs/dbraw/zinc/11/48/00/1175114800.db2.gz AOCCXGPZAXDOCJ-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001672485941 1175114804 /nfs/dbraw/zinc/11/48/04/1175114804.db2.gz AOCCXGPZAXDOCJ-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001672485941 1175114807 /nfs/dbraw/zinc/11/48/07/1175114807.db2.gz AOCCXGPZAXDOCJ-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001672485941 1175114811 /nfs/dbraw/zinc/11/48/11/1175114811.db2.gz AOCCXGPZAXDOCJ-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001673704951 1175226656 /nfs/dbraw/zinc/22/66/56/1175226656.db2.gz SLILDPYXCFLNEW-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001676140802 1175425955 /nfs/dbraw/zinc/42/59/55/1175425955.db2.gz XGMDEPFCVLDEQP-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001676140802 1175425957 /nfs/dbraw/zinc/42/59/57/1175425957.db2.gz XGMDEPFCVLDEQP-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001676140802 1175425963 /nfs/dbraw/zinc/42/59/63/1175425963.db2.gz XGMDEPFCVLDEQP-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001676692137 1175477169 /nfs/dbraw/zinc/47/71/69/1175477169.db2.gz AVFRUUZUMRAUPC-UONOGXRCSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001677138589 1175535427 /nfs/dbraw/zinc/53/54/27/1175535427.db2.gz UTJPYFZECAKVOY-CVEARBPZSA-N 2 1 305.422 0.884 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001690343520 1177217899 /nfs/dbraw/zinc/21/78/99/1177217899.db2.gz VOWIPUOTPDGPKZ-HZSPNIEDSA-N 2 1 308.426 0.010 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001690628452 1177287276 /nfs/dbraw/zinc/28/72/76/1177287276.db2.gz NBWPBLJADJNLSQ-HZPDHXFCSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692038918 1177408076 /nfs/dbraw/zinc/40/80/76/1177408076.db2.gz CLZDWPZRGXAUMK-OAHLLOKOSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692038918 1177408078 /nfs/dbraw/zinc/40/80/78/1177408078.db2.gz CLZDWPZRGXAUMK-OAHLLOKOSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001692115848 1177419618 /nfs/dbraw/zinc/41/96/18/1177419618.db2.gz SEXALYDTCMBNBJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001692115848 1177419621 /nfs/dbraw/zinc/41/96/21/1177419621.db2.gz SEXALYDTCMBNBJ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCOCC[N@@H+](C)CC#CC ZINC001692301964 1177478336 /nfs/dbraw/zinc/47/83/36/1177478336.db2.gz DXRKYKOLONUREM-KRWDZBQOSA-N 2 1 319.449 0.514 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCOCC[N@H+](C)CC#CC ZINC001692301964 1177478340 /nfs/dbraw/zinc/47/83/40/1177478340.db2.gz DXRKYKOLONUREM-KRWDZBQOSA-N 2 1 319.449 0.514 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCC[NH+](C)CC#CC ZINC001692301964 1177478342 /nfs/dbraw/zinc/47/83/42/1177478342.db2.gz DXRKYKOLONUREM-KRWDZBQOSA-N 2 1 319.449 0.514 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCC[NH+](C)CC#CC ZINC001692301964 1177478345 /nfs/dbraw/zinc/47/83/45/1177478345.db2.gz DXRKYKOLONUREM-KRWDZBQOSA-N 2 1 319.449 0.514 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001698650904 1177601091 /nfs/dbraw/zinc/60/10/91/1177601091.db2.gz FBMNRJIGGXUTEP-CRAIPNDOSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cnccn1 ZINC001699407258 1178123876 /nfs/dbraw/zinc/12/38/76/1178123876.db2.gz KSIMYQYRSLMQDL-DZKIICNBSA-N 2 1 315.421 0.730 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cnccn1 ZINC001699407258 1178123880 /nfs/dbraw/zinc/12/38/80/1178123880.db2.gz KSIMYQYRSLMQDL-DZKIICNBSA-N 2 1 315.421 0.730 20 30 DCEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001699857659 1178318834 /nfs/dbraw/zinc/31/88/34/1178318834.db2.gz FEWHVFKGUKVKMX-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001699857659 1178318846 /nfs/dbraw/zinc/31/88/46/1178318846.db2.gz FEWHVFKGUKVKMX-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001700233100 1178543554 /nfs/dbraw/zinc/54/35/54/1178543554.db2.gz MXUBDHITBUQUQF-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001700294608 1178568670 /nfs/dbraw/zinc/56/86/70/1178568670.db2.gz ZDEBCCJCOSCBJD-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001700294608 1178568674 /nfs/dbraw/zinc/56/86/74/1178568674.db2.gz ZDEBCCJCOSCBJD-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001700294608 1178568675 /nfs/dbraw/zinc/56/86/75/1178568675.db2.gz ZDEBCCJCOSCBJD-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001700727600 1178723172 /nfs/dbraw/zinc/72/31/72/1178723172.db2.gz FOTMZAAOSRAOLI-CABCVRRESA-N 2 1 322.453 0.209 20 30 DCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001701037788 1178893350 /nfs/dbraw/zinc/89/33/50/1178893350.db2.gz LTTGATMXGXNLNL-ZIAGYGMSSA-N 2 1 304.394 0.601 20 30 DCEDMP C=CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713066421 1180659095 /nfs/dbraw/zinc/65/90/95/1180659095.db2.gz AVRKUDDJUKLPJE-INIZCTEOSA-N 2 1 308.470 0.781 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713220438 1180726171 /nfs/dbraw/zinc/72/61/71/1180726171.db2.gz LCCGUMLMISMWMS-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001713220438 1180726176 /nfs/dbraw/zinc/72/61/76/1180726176.db2.gz LCCGUMLMISMWMS-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713220438 1180726180 /nfs/dbraw/zinc/72/61/80/1180726180.db2.gz LCCGUMLMISMWMS-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCOC)C1 ZINC001713343786 1180778270 /nfs/dbraw/zinc/77/82/70/1180778270.db2.gz BBAYTHRAWYDCQK-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCOC)C1 ZINC001713343786 1180778277 /nfs/dbraw/zinc/77/82/77/1180778277.db2.gz BBAYTHRAWYDCQK-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001713401949 1180799418 /nfs/dbraw/zinc/79/94/18/1180799418.db2.gz WLTQSWPXSQGVLX-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001713456526 1180838465 /nfs/dbraw/zinc/83/84/65/1180838465.db2.gz SICNPIPIYPHVSM-GJZGRUSLSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001713456526 1180838479 /nfs/dbraw/zinc/83/84/79/1180838479.db2.gz SICNPIPIYPHVSM-GJZGRUSLSA-N 2 1 324.469 0.408 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)C[C@@H](C)OC)CC1 ZINC001713497119 1180870622 /nfs/dbraw/zinc/87/06/22/1180870622.db2.gz DVNRSZXCHZWNQS-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001713557697 1180919390 /nfs/dbraw/zinc/91/93/90/1180919390.db2.gz VOBHYJHKJFYXPD-QGZVFWFLSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001713743560 1181040092 /nfs/dbraw/zinc/04/00/92/1181040092.db2.gz NNKDTOLNXRVBFB-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001713810344 1181086481 /nfs/dbraw/zinc/08/64/81/1181086481.db2.gz BZUZQEDKFZBSOB-QGZVFWFLSA-N 2 1 322.497 0.864 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713953183 1181170253 /nfs/dbraw/zinc/17/02/53/1181170253.db2.gz WVXCAIHIBIYJSD-ILXRZTDVSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713953183 1181170255 /nfs/dbraw/zinc/17/02/55/1181170255.db2.gz WVXCAIHIBIYJSD-ILXRZTDVSA-N 2 1 324.469 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714157335 1181267389 /nfs/dbraw/zinc/26/73/89/1181267389.db2.gz RUTSIOLGWBUMOE-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001715121689 1181695005 /nfs/dbraw/zinc/69/50/05/1181695005.db2.gz AXBFZKPDBZHLIQ-DOTOQJQBSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001715121689 1181695010 /nfs/dbraw/zinc/69/50/10/1181695010.db2.gz AXBFZKPDBZHLIQ-DOTOQJQBSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001715832799 1182036983 /nfs/dbraw/zinc/03/69/83/1182036983.db2.gz JYJIWJBSYLLIFC-YRLOJYSSSA-N 2 1 319.449 0.915 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716218076 1182260606 /nfs/dbraw/zinc/26/06/06/1182260606.db2.gz SBCZNHSOOHENLE-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001716975335 1182608236 /nfs/dbraw/zinc/60/82/36/1182608236.db2.gz LQYJDAIABVSJCY-GJZGRUSLSA-N 2 1 324.469 0.455 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001717109825 1182680848 /nfs/dbraw/zinc/68/08/48/1182680848.db2.gz MVXDJYGZAGQYIM-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001717180915 1182714837 /nfs/dbraw/zinc/71/48/37/1182714837.db2.gz CPCRNZOBXXMBJZ-HNNXBMFYSA-N 2 1 318.421 0.847 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001717183399 1182717000 /nfs/dbraw/zinc/71/70/00/1182717000.db2.gz PBIURRNRLWBEMI-INIZCTEOSA-N 2 1 318.421 0.812 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001717202005 1182729231 /nfs/dbraw/zinc/72/92/31/1182729231.db2.gz MMGCJRHCGZDFSF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001717304843 1182772623 /nfs/dbraw/zinc/77/26/23/1182772623.db2.gz UXAGXUXMSLEDLY-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001718032250 1183118460 /nfs/dbraw/zinc/11/84/60/1183118460.db2.gz DHTPYXVBSZTHQW-UHFFFAOYSA-N 2 1 305.422 0.480 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001724152432 1184388633 /nfs/dbraw/zinc/38/86/33/1184388633.db2.gz CWPYQKDUJAJLSU-LZLYRXPVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001724152432 1184388637 /nfs/dbraw/zinc/38/86/37/1184388637.db2.gz CWPYQKDUJAJLSU-LZLYRXPVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001724152432 1184388642 /nfs/dbraw/zinc/38/86/42/1184388642.db2.gz CWPYQKDUJAJLSU-LZLYRXPVSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001724840806 1184588124 /nfs/dbraw/zinc/58/81/24/1184588124.db2.gz BJUYKKOKFMUFQX-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001724840806 1184588133 /nfs/dbraw/zinc/58/81/33/1184588133.db2.gz BJUYKKOKFMUFQX-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001724840806 1184588140 /nfs/dbraw/zinc/58/81/40/1184588140.db2.gz BJUYKKOKFMUFQX-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001724904925 1184613066 /nfs/dbraw/zinc/61/30/66/1184613066.db2.gz JXPKWVSXAJXCFB-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001725020790 1184658510 /nfs/dbraw/zinc/65/85/10/1184658510.db2.gz UAGGUXPIDJRVJW-UHFFFAOYSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001725337942 1184779348 /nfs/dbraw/zinc/77/93/48/1184779348.db2.gz PPPSCTROCJOBBE-ULQDDVLXSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001725337942 1184779355 /nfs/dbraw/zinc/77/93/55/1184779355.db2.gz PPPSCTROCJOBBE-ULQDDVLXSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725518856 1184854885 /nfs/dbraw/zinc/85/48/85/1184854885.db2.gz VCLAKNQTKIDREZ-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001725537258 1184869045 /nfs/dbraw/zinc/86/90/45/1184869045.db2.gz ASZPHWLVMVZONX-WFASDCNBSA-N 2 1 301.406 0.452 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001725721277 1184970523 /nfs/dbraw/zinc/97/05/23/1184970523.db2.gz AFRWRUOBYAIGNG-HNNXBMFYSA-N 2 1 306.410 0.356 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001725721277 1184970527 /nfs/dbraw/zinc/97/05/27/1184970527.db2.gz AFRWRUOBYAIGNG-HNNXBMFYSA-N 2 1 306.410 0.356 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001725723084 1184972731 /nfs/dbraw/zinc/97/27/31/1184972731.db2.gz LOXGPWKBEWERCQ-QGZVFWFLSA-N 2 1 321.465 0.493 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001725726416 1184976490 /nfs/dbraw/zinc/97/64/90/1184976490.db2.gz ZXCNAQQJFFWXAP-DLBZAZTESA-N 2 1 323.481 0.881 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC#CCOC ZINC001731287025 1185245000 /nfs/dbraw/zinc/24/50/00/1185245000.db2.gz XXQGMYVRZXNKRF-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC#CCOC ZINC001731287025 1185245005 /nfs/dbraw/zinc/24/50/05/1185245005.db2.gz XXQGMYVRZXNKRF-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC#CCOC ZINC001731287025 1185245007 /nfs/dbraw/zinc/24/50/07/1185245007.db2.gz XXQGMYVRZXNKRF-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCC[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001731363347 1185295967 /nfs/dbraw/zinc/29/59/67/1185295967.db2.gz WGICDXQPLSSDEO-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccn1 ZINC001732998307 1186097681 /nfs/dbraw/zinc/09/76/81/1186097681.db2.gz BOCVVDOLIJGWBF-HOCLYGCPSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccn1 ZINC001732998307 1186097688 /nfs/dbraw/zinc/09/76/88/1186097688.db2.gz BOCVVDOLIJGWBF-HOCLYGCPSA-N 2 1 300.406 0.774 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001733079398 1186127561 /nfs/dbraw/zinc/12/75/61/1186127561.db2.gz NLEJDICJKLVZPT-DLBZAZTESA-N 2 1 321.465 0.997 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001733582161 1186342186 /nfs/dbraw/zinc/34/21/86/1186342186.db2.gz ZGCYDTJZRJCDDX-OAHLLOKOSA-N 2 1 308.470 0.684 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001733590002 1186348580 /nfs/dbraw/zinc/34/85/80/1186348580.db2.gz HWQZKEJDYYJLSB-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001734063656 1186535269 /nfs/dbraw/zinc/53/52/69/1186535269.db2.gz AMULUSBOXPQMEW-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001734063656 1186535271 /nfs/dbraw/zinc/53/52/71/1186535271.db2.gz AMULUSBOXPQMEW-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001734540623 1186683860 /nfs/dbraw/zinc/68/38/60/1186683860.db2.gz CBSXTKCCPGHYCT-OAHLLOKOSA-N 2 1 320.437 0.781 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001734540623 1186683861 /nfs/dbraw/zinc/68/38/61/1186683861.db2.gz CBSXTKCCPGHYCT-OAHLLOKOSA-N 2 1 320.437 0.781 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001752790410 1188441940 /nfs/dbraw/zinc/44/19/40/1188441940.db2.gz XXHREWLKOXRJPF-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCO ZINC001753030375 1188480662 /nfs/dbraw/zinc/48/06/62/1188480662.db2.gz WBMQHDSNROZPHQ-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCO ZINC001753030375 1188480667 /nfs/dbraw/zinc/48/06/67/1188480667.db2.gz WBMQHDSNROZPHQ-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCO ZINC001753030375 1188480671 /nfs/dbraw/zinc/48/06/71/1188480671.db2.gz WBMQHDSNROZPHQ-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCO ZINC001753030375 1188480672 /nfs/dbraw/zinc/48/06/72/1188480672.db2.gz WBMQHDSNROZPHQ-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001753109207 1188502200 /nfs/dbraw/zinc/50/22/00/1188502200.db2.gz BTSRYJBKEVSFRT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001753109207 1188502201 /nfs/dbraw/zinc/50/22/01/1188502201.db2.gz BTSRYJBKEVSFRT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001753110443 1188503390 /nfs/dbraw/zinc/50/33/90/1188503390.db2.gz NHGLEWHZDCCHEM-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001753110443 1188503395 /nfs/dbraw/zinc/50/33/95/1188503395.db2.gz NHGLEWHZDCCHEM-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438665 1188596931 /nfs/dbraw/zinc/59/69/31/1188596931.db2.gz DVFKKLLMWDHDDT-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438665 1188596933 /nfs/dbraw/zinc/59/69/33/1188596933.db2.gz DVFKKLLMWDHDDT-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001753767899 1188653356 /nfs/dbraw/zinc/65/33/56/1188653356.db2.gz PVLBENFRPSTBLL-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753947022 1188692840 /nfs/dbraw/zinc/69/28/40/1188692840.db2.gz MGFOBFNGSSVCOF-HOTGVXAUSA-N 2 1 305.422 0.932 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)Cn2c[nH+]cc2C)C1=O ZINC001754275467 1188806404 /nfs/dbraw/zinc/80/64/04/1188806404.db2.gz ANJRZQWTZYYLGS-JSGCOSHPSA-N 2 1 319.409 0.073 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001754309103 1188816410 /nfs/dbraw/zinc/81/64/10/1188816410.db2.gz HYDTVZAJDOYYTC-GDBMZVCRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001754595745 1188886807 /nfs/dbraw/zinc/88/68/07/1188886807.db2.gz BCVVOKFMHQFVRZ-GDBMZVCRSA-N 2 1 318.421 0.810 20 30 DCEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001754979360 1188985685 /nfs/dbraw/zinc/98/56/85/1188985685.db2.gz NDNNOBHMPVMWQP-AWEZNQCLSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001754979360 1188985688 /nfs/dbraw/zinc/98/56/88/1188985688.db2.gz NDNNOBHMPVMWQP-AWEZNQCLSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001755313101 1189077061 /nfs/dbraw/zinc/07/70/61/1189077061.db2.gz LKXAHTPYMWETFL-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001755313101 1189077066 /nfs/dbraw/zinc/07/70/66/1189077066.db2.gz LKXAHTPYMWETFL-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001755313101 1189077072 /nfs/dbraw/zinc/07/70/72/1189077072.db2.gz LKXAHTPYMWETFL-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001755313101 1189077078 /nfs/dbraw/zinc/07/70/78/1189077078.db2.gz LKXAHTPYMWETFL-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001755637304 1189169680 /nfs/dbraw/zinc/16/96/80/1189169680.db2.gz XEYRVRGTFQBZJA-NVXWUHKLSA-N 2 1 321.465 0.874 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC#CCOC)CC1 ZINC001167640406 747441482 /nfs/dbraw/zinc/44/14/82/747441482.db2.gz OFUOYAYPORZNBX-UHFFFAOYSA-N 2 1 309.454 0.854 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434522 748169981 /nfs/dbraw/zinc/16/99/81/748169981.db2.gz FRPRHNDXHHSGTQ-OWCLPIDISA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC#CC)CC[C@@H]2C1 ZINC001087998274 749184780 /nfs/dbraw/zinc/18/47/80/749184780.db2.gz ZXANXVYRRMKSMP-SQNIBIBYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#CC)CC[C@@H]2C1 ZINC001087998274 749184782 /nfs/dbraw/zinc/18/47/82/749184782.db2.gz ZXANXVYRRMKSMP-SQNIBIBYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC#CC)CC[C@@H]2C1 ZINC001087998274 749184785 /nfs/dbraw/zinc/18/47/85/749184785.db2.gz ZXANXVYRRMKSMP-SQNIBIBYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC#CC)CC[C@@H]2C1 ZINC001087998274 749184788 /nfs/dbraw/zinc/18/47/88/749184788.db2.gz ZXANXVYRRMKSMP-SQNIBIBYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757208 749978950 /nfs/dbraw/zinc/97/89/50/749978950.db2.gz NKNNDJRPYBOWGY-GQGDVANPSA-N 2 1 303.406 0.062 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757208 749978954 /nfs/dbraw/zinc/97/89/54/749978954.db2.gz NKNNDJRPYBOWGY-GQGDVANPSA-N 2 1 303.406 0.062 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757208 749978958 /nfs/dbraw/zinc/97/89/58/749978958.db2.gz NKNNDJRPYBOWGY-GQGDVANPSA-N 2 1 303.406 0.062 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077132145 750217943 /nfs/dbraw/zinc/21/79/43/750217943.db2.gz PWYWKKFBJFZEEL-BZUAXINKSA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077132145 750217947 /nfs/dbraw/zinc/21/79/47/750217947.db2.gz PWYWKKFBJFZEEL-BZUAXINKSA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077132145 750217951 /nfs/dbraw/zinc/21/79/51/750217951.db2.gz PWYWKKFBJFZEEL-BZUAXINKSA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077132145 750217953 /nfs/dbraw/zinc/21/79/53/750217953.db2.gz PWYWKKFBJFZEEL-BZUAXINKSA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780124 750976139 /nfs/dbraw/zinc/97/61/39/750976139.db2.gz RCTDYQGCIJGQKB-DZGCQCFKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780124 750976141 /nfs/dbraw/zinc/97/61/41/750976141.db2.gz RCTDYQGCIJGQKB-DZGCQCFKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719393 751031972 /nfs/dbraw/zinc/03/19/72/751031972.db2.gz BUCXWJJIQULMFA-OAGGEKHMSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077777338 752519677 /nfs/dbraw/zinc/51/96/77/752519677.db2.gz IAVOMPQKZOMAMA-OWCLPIDISA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077777338 752519678 /nfs/dbraw/zinc/51/96/78/752519678.db2.gz IAVOMPQKZOMAMA-OWCLPIDISA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777338 752519680 /nfs/dbraw/zinc/51/96/80/752519680.db2.gz IAVOMPQKZOMAMA-OWCLPIDISA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777338 752519682 /nfs/dbraw/zinc/51/96/82/752519682.db2.gz IAVOMPQKZOMAMA-OWCLPIDISA-N 2 1 307.438 0.434 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035402 753439124 /nfs/dbraw/zinc/43/91/24/753439124.db2.gz LDMGQAQNYIFFKV-DLBZAZTESA-N 2 1 320.481 0.731 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501173 753752380 /nfs/dbraw/zinc/75/23/80/753752380.db2.gz LHOUKPOLQYOYEM-FYRJDAGRSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501173 753752383 /nfs/dbraw/zinc/75/23/83/753752383.db2.gz LHOUKPOLQYOYEM-FYRJDAGRSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501173 753752389 /nfs/dbraw/zinc/75/23/89/753752389.db2.gz LHOUKPOLQYOYEM-FYRJDAGRSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047379690 754226746 /nfs/dbraw/zinc/22/67/46/754226746.db2.gz AFERZVGEMSPBRS-PMPSAXMXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047379690 754226750 /nfs/dbraw/zinc/22/67/50/754226750.db2.gz AFERZVGEMSPBRS-PMPSAXMXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047379690 754226755 /nfs/dbraw/zinc/22/67/55/754226755.db2.gz AFERZVGEMSPBRS-PMPSAXMXSA-N 2 1 307.438 0.386 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001047380811 754227498 /nfs/dbraw/zinc/22/74/98/754227498.db2.gz YBQBSJUYVWHHEQ-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380811 754227504 /nfs/dbraw/zinc/22/75/04/754227504.db2.gz YBQBSJUYVWHHEQ-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380811 754227511 /nfs/dbraw/zinc/22/75/11/754227511.db2.gz YBQBSJUYVWHHEQ-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380811 754227517 /nfs/dbraw/zinc/22/75/17/754227517.db2.gz YBQBSJUYVWHHEQ-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC(C)C)C[C@@H]2O)CC1 ZINC001047638369 754453697 /nfs/dbraw/zinc/45/36/97/754453697.db2.gz PIACWTRGSUNZFG-IRXDYDNUSA-N 2 1 321.465 0.491 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090257713 754469188 /nfs/dbraw/zinc/46/91/88/754469188.db2.gz AYCLTLPMCOXNDC-LSDHHAIUSA-N 2 1 307.438 0.436 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205572 754559663 /nfs/dbraw/zinc/55/96/63/754559663.db2.gz WRDNRWUXFGIUPY-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205572 754559666 /nfs/dbraw/zinc/55/96/66/754559666.db2.gz WRDNRWUXFGIUPY-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCF)C[C@@H]3C2)CC1 ZINC001049234924 755196865 /nfs/dbraw/zinc/19/68/65/755196865.db2.gz JPNFYJYLBSZPPQ-IYBDPMFKSA-N 2 1 307.413 0.691 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353258 755655254 /nfs/dbraw/zinc/65/52/54/755655254.db2.gz ABSHPIGZWDMRRA-HZPDHXFCSA-N 2 1 319.449 0.437 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353325 755655681 /nfs/dbraw/zinc/65/56/81/755655681.db2.gz BDMHNJSAGSAIMT-HOTGVXAUSA-N 2 1 321.465 0.990 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCOC)CC2)CC1 ZINC001052953879 755884562 /nfs/dbraw/zinc/88/45/62/755884562.db2.gz JHPXXHVFZJLHJG-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054107697 756368637 /nfs/dbraw/zinc/36/86/37/756368637.db2.gz GEQLEOSIDCYISQ-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054107697 756368643 /nfs/dbraw/zinc/36/86/43/756368643.db2.gz GEQLEOSIDCYISQ-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054107697 756368647 /nfs/dbraw/zinc/36/86/47/756368647.db2.gz GEQLEOSIDCYISQ-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054107697 756368652 /nfs/dbraw/zinc/36/86/52/756368652.db2.gz GEQLEOSIDCYISQ-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788640 756786307 /nfs/dbraw/zinc/78/63/07/756786307.db2.gz UINSYNPIEWWMSB-GVDBMIGSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788640 756786310 /nfs/dbraw/zinc/78/63/10/756786310.db2.gz UINSYNPIEWWMSB-GVDBMIGSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788640 756786311 /nfs/dbraw/zinc/78/63/11/756786311.db2.gz UINSYNPIEWWMSB-GVDBMIGSSA-N 2 1 321.465 0.803 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949609 756875688 /nfs/dbraw/zinc/87/56/88/756875688.db2.gz XYZHSVSZSWUFQD-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949609 756875694 /nfs/dbraw/zinc/87/56/94/756875694.db2.gz XYZHSVSZSWUFQD-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164538479 757101763 /nfs/dbraw/zinc/10/17/63/757101763.db2.gz IJLUNXHLUZLSIR-CYBMUJFWSA-N 2 1 303.834 0.944 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937004 757556222 /nfs/dbraw/zinc/55/62/22/757556222.db2.gz GWQXEINJJYLUMR-CVEARBPZSA-N 2 1 307.438 0.456 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937004 757556228 /nfs/dbraw/zinc/55/62/28/757556228.db2.gz GWQXEINJJYLUMR-CVEARBPZSA-N 2 1 307.438 0.456 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937055 757556628 /nfs/dbraw/zinc/55/66/28/757556628.db2.gz KKYPUEAMYFWANT-SJORKVTESA-N 2 1 321.465 0.846 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090766 757667739 /nfs/dbraw/zinc/66/77/39/757667739.db2.gz HOHFKBYBHBZFRU-SJORKVTESA-N 2 1 315.417 0.546 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001084722561 757985967 /nfs/dbraw/zinc/98/59/67/757985967.db2.gz UVDOPQSPQZLOAH-HZPDHXFCSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722561 757985971 /nfs/dbraw/zinc/98/59/71/757985971.db2.gz UVDOPQSPQZLOAH-HZPDHXFCSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722561 757985980 /nfs/dbraw/zinc/98/59/80/757985980.db2.gz UVDOPQSPQZLOAH-HZPDHXFCSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)CC1 ZINC001098460740 762677377 /nfs/dbraw/zinc/67/73/77/762677377.db2.gz ITKRSMYFZJLQKG-OAGGEKHMSA-N 2 1 305.422 0.045 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036882 759133453 /nfs/dbraw/zinc/13/34/53/759133453.db2.gz WUGAMRLYKRUFHC-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CC)CCO)CC1 ZINC001098396005 759447996 /nfs/dbraw/zinc/44/79/96/759447996.db2.gz KNGRXHUBNDKGRO-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CC)CCO)CC1 ZINC001098396005 759448002 /nfs/dbraw/zinc/44/80/02/759448002.db2.gz KNGRXHUBNDKGRO-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC)CCO)CC1 ZINC001098396005 759448007 /nfs/dbraw/zinc/44/80/07/759448007.db2.gz KNGRXHUBNDKGRO-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC)CCO)CC1 ZINC001098396005 759448013 /nfs/dbraw/zinc/44/80/13/759448013.db2.gz KNGRXHUBNDKGRO-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147885828 767861147 /nfs/dbraw/zinc/86/11/47/767861147.db2.gz PKVOCICWNGGWMT-HNNXBMFYSA-N 2 1 324.469 0.459 20 30 DCEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098404830 759674987 /nfs/dbraw/zinc/67/49/87/759674987.db2.gz VEJWJEHJSPBERB-MRXNPFEDSA-N 2 1 309.454 0.635 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400439 760141504 /nfs/dbraw/zinc/14/15/04/760141504.db2.gz HEUSVSTYLLSMIL-AAVRWANBSA-N 2 1 315.845 0.942 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400439 760141509 /nfs/dbraw/zinc/14/15/09/760141509.db2.gz HEUSVSTYLLSMIL-AAVRWANBSA-N 2 1 315.845 0.942 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100109672 760297480 /nfs/dbraw/zinc/29/74/80/760297480.db2.gz IQIGYNXSLDXLMY-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100109672 760297488 /nfs/dbraw/zinc/29/74/88/760297488.db2.gz IQIGYNXSLDXLMY-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124267 760441584 /nfs/dbraw/zinc/44/15/84/760441584.db2.gz FUMHUZSYVNTQMM-HOTGVXAUSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127513 761158862 /nfs/dbraw/zinc/15/88/62/761158862.db2.gz WDWYPQXSUMOXEP-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001071020700 761588273 /nfs/dbraw/zinc/58/82/73/761588273.db2.gz PTECDZRGTCUGML-UHFFFAOYSA-N 2 1 322.453 0.309 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001071020700 761588285 /nfs/dbraw/zinc/58/82/85/761588285.db2.gz PTECDZRGTCUGML-UHFFFAOYSA-N 2 1 322.453 0.309 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071020732 761589352 /nfs/dbraw/zinc/58/93/52/761589352.db2.gz RSLNTJFCLFLNMR-HNNXBMFYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020732 761589356 /nfs/dbraw/zinc/58/93/56/761589356.db2.gz RSLNTJFCLFLNMR-HNNXBMFYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020732 761589358 /nfs/dbraw/zinc/58/93/58/761589358.db2.gz RSLNTJFCLFLNMR-HNNXBMFYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100142468 761785011 /nfs/dbraw/zinc/78/50/11/761785011.db2.gz CRVZRVDYUWFTIW-DLBZAZTESA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100142468 761785017 /nfs/dbraw/zinc/78/50/17/761785017.db2.gz CRVZRVDYUWFTIW-DLBZAZTESA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100142468 761785022 /nfs/dbraw/zinc/78/50/22/761785022.db2.gz CRVZRVDYUWFTIW-DLBZAZTESA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100142468 761785026 /nfs/dbraw/zinc/78/50/26/761785026.db2.gz CRVZRVDYUWFTIW-DLBZAZTESA-N 2 1 317.433 0.856 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589371 762907042 /nfs/dbraw/zinc/90/70/42/762907042.db2.gz XHTCYODGHZFUGQ-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001129776049 763011449 /nfs/dbraw/zinc/01/14/49/763011449.db2.gz ZITAKHRWQFKUBO-KRWDZBQOSA-N 2 1 310.401 0.862 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001129776049 763011452 /nfs/dbraw/zinc/01/14/52/763011452.db2.gz ZITAKHRWQFKUBO-KRWDZBQOSA-N 2 1 310.401 0.862 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001099897030 763107341 /nfs/dbraw/zinc/10/73/41/763107341.db2.gz PTDFEERZRWIYRR-CVEARBPZSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001099897030 763107345 /nfs/dbraw/zinc/10/73/45/763107345.db2.gz PTDFEERZRWIYRR-CVEARBPZSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001099897030 763107350 /nfs/dbraw/zinc/10/73/50/763107350.db2.gz PTDFEERZRWIYRR-CVEARBPZSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001099897030 763107352 /nfs/dbraw/zinc/10/73/52/763107352.db2.gz PTDFEERZRWIYRR-CVEARBPZSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099937985 763142833 /nfs/dbraw/zinc/14/28/33/763142833.db2.gz OUVMECWHVXIPLI-HUUCEWRRSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099937985 763142835 /nfs/dbraw/zinc/14/28/35/763142835.db2.gz OUVMECWHVXIPLI-HUUCEWRRSA-N 2 1 307.438 0.436 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090491122 763433881 /nfs/dbraw/zinc/43/38/81/763433881.db2.gz XMHCJPJRJXMQBN-GJZGRUSLSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100401711 763551263 /nfs/dbraw/zinc/55/12/63/763551263.db2.gz IKGNZZPMMHKELB-UYSNPLJNSA-N 2 1 317.437 0.321 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100447201 763584536 /nfs/dbraw/zinc/58/45/36/763584536.db2.gz SEIRLQDGKKOHEO-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131609066 763887858 /nfs/dbraw/zinc/88/78/58/763887858.db2.gz YUPQAUNUSQKMOM-AEFFLSMTSA-N 2 1 321.465 0.946 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132369403 764411219 /nfs/dbraw/zinc/41/12/19/764411219.db2.gz WWXXCPOUBBZQRR-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132369403 764411221 /nfs/dbraw/zinc/41/12/21/764411221.db2.gz WWXXCPOUBBZQRR-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091025 764521810 /nfs/dbraw/zinc/52/18/10/764521810.db2.gz OETZHRGHIKNOHO-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091025 764521814 /nfs/dbraw/zinc/52/18/14/764521814.db2.gz OETZHRGHIKNOHO-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091025 764521822 /nfs/dbraw/zinc/52/18/22/764521822.db2.gz OETZHRGHIKNOHO-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138507 764956173 /nfs/dbraw/zinc/95/61/73/764956173.db2.gz PACLMVOFYUVIQS-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138507 764956182 /nfs/dbraw/zinc/95/61/82/764956182.db2.gz PACLMVOFYUVIQS-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103138507 764956188 /nfs/dbraw/zinc/95/61/88/764956188.db2.gz PACLMVOFYUVIQS-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103138507 764956192 /nfs/dbraw/zinc/95/61/92/764956192.db2.gz PACLMVOFYUVIQS-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092292650 768266277 /nfs/dbraw/zinc/26/62/77/768266277.db2.gz SZJVURMNDAUDRJ-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092292650 768266280 /nfs/dbraw/zinc/26/62/80/768266280.db2.gz SZJVURMNDAUDRJ-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092292650 768266284 /nfs/dbraw/zinc/26/62/84/768266284.db2.gz SZJVURMNDAUDRJ-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092292650 768266287 /nfs/dbraw/zinc/26/62/87/768266287.db2.gz SZJVURMNDAUDRJ-VYDXJSESSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134573689 765584986 /nfs/dbraw/zinc/58/49/86/765584986.db2.gz BFEUUXKMADXDGP-ZDUSSCGKSA-N 2 1 321.425 0.403 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612591 765589505 /nfs/dbraw/zinc/58/95/05/765589505.db2.gz OSQHVRKHMYCRRR-KGLIPLIRSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612593 765589732 /nfs/dbraw/zinc/58/97/32/765589732.db2.gz OSQHVRKHMYCRRR-ZIAGYGMSSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCOC)C[C@H]32)CC1 ZINC001115290144 765676959 /nfs/dbraw/zinc/67/69/59/765676959.db2.gz OCGWJFIDYYVBBE-FVQHAEBGSA-N 2 1 319.449 0.415 20 30 DCEDMP O=C(NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1N=CC=CC1=O ZINC001116467132 765874186 /nfs/dbraw/zinc/87/41/86/765874186.db2.gz SKTRNLVPVPIXOL-FJOSAAFMSA-N 2 1 304.394 0.729 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090616191 766381029 /nfs/dbraw/zinc/38/10/29/766381029.db2.gz MWALOLLDAGCYMB-KBPBESRZSA-N 2 1 306.410 0.744 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090616191 766381038 /nfs/dbraw/zinc/38/10/38/766381038.db2.gz MWALOLLDAGCYMB-KBPBESRZSA-N 2 1 306.410 0.744 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090673619 766455804 /nfs/dbraw/zinc/45/58/04/766455804.db2.gz LQJMFNGSQPMONF-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107706 766544882 /nfs/dbraw/zinc/54/48/82/766544882.db2.gz SIQAUFNNSBGKFV-NCOADZHNSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001090826614 766644556 /nfs/dbraw/zinc/64/45/56/766644556.db2.gz BTBPDPIHRJFSIN-IRXDYDNUSA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001090826614 766644562 /nfs/dbraw/zinc/64/45/62/766644562.db2.gz BTBPDPIHRJFSIN-IRXDYDNUSA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@H+]1CCCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC001147291247 767708169 /nfs/dbraw/zinc/70/81/69/767708169.db2.gz NOAJICKSYBEKNU-UHFFFAOYSA-N 2 1 303.410 0.226 20 30 DCEDMP C#CC[N@@H+]1CCCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC001147291247 767708173 /nfs/dbraw/zinc/70/81/73/767708173.db2.gz NOAJICKSYBEKNU-UHFFFAOYSA-N 2 1 303.410 0.226 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150195123 769033906 /nfs/dbraw/zinc/03/39/06/769033906.db2.gz YGAICPRBAHDVQJ-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150722886 769170082 /nfs/dbraw/zinc/17/00/82/769170082.db2.gz IESNGRGNBFSJNB-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150722886 769170090 /nfs/dbraw/zinc/17/00/90/769170090.db2.gz IESNGRGNBFSJNB-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001151049712 769245183 /nfs/dbraw/zinc/24/51/83/769245183.db2.gz WXUHLYDRZBTOMY-AWEZNQCLSA-N 2 1 304.369 0.855 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854721 769962971 /nfs/dbraw/zinc/96/29/71/769962971.db2.gz SBZHUCAGQVAAMJ-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854721 769962975 /nfs/dbraw/zinc/96/29/75/769962975.db2.gz SBZHUCAGQVAAMJ-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854721 769962984 /nfs/dbraw/zinc/96/29/84/769962984.db2.gz SBZHUCAGQVAAMJ-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563347 770126473 /nfs/dbraw/zinc/12/64/73/770126473.db2.gz CRRSGJIWKDDMGG-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154396596 770168805 /nfs/dbraw/zinc/16/88/05/770168805.db2.gz MVRPZBCTJVUERU-GJEMEMOUSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176986103 770271470 /nfs/dbraw/zinc/27/14/70/770271470.db2.gz DWUWZBZBHJAVSZ-UHFFFAOYSA-N 2 1 324.469 0.623 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176986322 770274273 /nfs/dbraw/zinc/27/42/73/770274273.db2.gz KSAQQIRZGYOFNZ-CQSZACIVSA-N 2 1 310.442 0.259 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045244 770600131 /nfs/dbraw/zinc/60/01/31/770600131.db2.gz HDNLNWJLQVCNRV-OAHLLOKOSA-N 2 1 324.469 0.649 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001156146347 770732519 /nfs/dbraw/zinc/73/25/19/770732519.db2.gz WOLAMARGXSATTR-CQSZACIVSA-N 2 1 322.434 0.546 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001156146347 770732525 /nfs/dbraw/zinc/73/25/25/770732525.db2.gz WOLAMARGXSATTR-CQSZACIVSA-N 2 1 322.434 0.546 20 30 DCEDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1C#N ZINC001151049614 771318707 /nfs/dbraw/zinc/31/87/07/771318707.db2.gz UNRNQDPQACOUMW-AWEZNQCLSA-N 2 1 316.405 0.724 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)O)C1 ZINC001181764098 771344323 /nfs/dbraw/zinc/34/43/23/771344323.db2.gz KWZOYKGAXLDYAN-XLMAVXFVSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)O)C1 ZINC001181764098 771344327 /nfs/dbraw/zinc/34/43/27/771344327.db2.gz KWZOYKGAXLDYAN-XLMAVXFVSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@H]1C ZINC001181764698 771344655 /nfs/dbraw/zinc/34/46/55/771344655.db2.gz UQQPSRLKIFGUCS-SOLBZPMBSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@H]1C ZINC001181764698 771344661 /nfs/dbraw/zinc/34/46/61/771344661.db2.gz UQQPSRLKIFGUCS-SOLBZPMBSA-N 2 1 301.434 0.791 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473036 771497309 /nfs/dbraw/zinc/49/73/09/771497309.db2.gz NLCGILVAVZIKGB-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157899042 771689409 /nfs/dbraw/zinc/68/94/09/771689409.db2.gz IAIOEWZIKMOZNN-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380293 771765734 /nfs/dbraw/zinc/76/57/34/771765734.db2.gz PABAHKHPWUKGJI-BFHYXJOUSA-N 2 1 310.442 0.113 20 30 DCEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185294761 771901335 /nfs/dbraw/zinc/90/13/35/771901335.db2.gz SLMUWPMMNLCRIN-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnoc1C ZINC001160197870 772006989 /nfs/dbraw/zinc/00/69/89/772006989.db2.gz LFGJVRHCXMYDRY-HNNXBMFYSA-N 2 1 304.394 0.677 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnoc1C ZINC001160197870 772006995 /nfs/dbraw/zinc/00/69/95/772006995.db2.gz LFGJVRHCXMYDRY-HNNXBMFYSA-N 2 1 304.394 0.677 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089782 772166547 /nfs/dbraw/zinc/16/65/47/772166547.db2.gz NTVDAGJKGQSWEI-UHFFFAOYSA-N 2 1 307.438 0.726 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001161908171 772298061 /nfs/dbraw/zinc/29/80/61/772298061.db2.gz KZMVCZIUQXESGS-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161908171 772298065 /nfs/dbraw/zinc/29/80/65/772298065.db2.gz KZMVCZIUQXESGS-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161908171 772298070 /nfs/dbraw/zinc/29/80/70/772298070.db2.gz KZMVCZIUQXESGS-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161908171 772298074 /nfs/dbraw/zinc/29/80/74/772298074.db2.gz KZMVCZIUQXESGS-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001203709106 772533259 /nfs/dbraw/zinc/53/32/59/772533259.db2.gz KUKWOVVDLAIRCG-UHFFFAOYSA-N 2 1 304.394 0.422 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149272 772590260 /nfs/dbraw/zinc/59/02/60/772590260.db2.gz WDWSSEDFKCVVSL-HRCADAONSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149272 772590264 /nfs/dbraw/zinc/59/02/64/772590264.db2.gz WDWSSEDFKCVVSL-HRCADAONSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149272 772590270 /nfs/dbraw/zinc/59/02/70/772590270.db2.gz WDWSSEDFKCVVSL-HRCADAONSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCOC)C1 ZINC001190721299 772668822 /nfs/dbraw/zinc/66/88/22/772668822.db2.gz ANGUXMNEOMFGEE-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCOC)C1 ZINC001190721299 772668824 /nfs/dbraw/zinc/66/88/24/772668824.db2.gz ANGUXMNEOMFGEE-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCOC)C1 ZINC001190721299 772668825 /nfs/dbraw/zinc/66/88/25/772668825.db2.gz ANGUXMNEOMFGEE-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCOC)C1 ZINC001190721299 772668826 /nfs/dbraw/zinc/66/88/26/772668826.db2.gz ANGUXMNEOMFGEE-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430193 772767430 /nfs/dbraw/zinc/76/74/30/772767430.db2.gz CCJVWPJZHMVKSM-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001191430193 772767434 /nfs/dbraw/zinc/76/74/34/772767434.db2.gz CCJVWPJZHMVKSM-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191430193 772767435 /nfs/dbraw/zinc/76/74/35/772767435.db2.gz CCJVWPJZHMVKSM-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077043 773001326 /nfs/dbraw/zinc/00/13/26/773001326.db2.gz GOOBLMUMSGXAFJ-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193463208 773066956 /nfs/dbraw/zinc/06/69/56/773066956.db2.gz SBUPSQPZMKVESO-CYBMUJFWSA-N 2 1 303.834 0.850 20 30 DCEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193463208 773066960 /nfs/dbraw/zinc/06/69/60/773066960.db2.gz SBUPSQPZMKVESO-CYBMUJFWSA-N 2 1 303.834 0.850 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001193601170 773096846 /nfs/dbraw/zinc/09/68/46/773096846.db2.gz UWJLONMUOWNTHR-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001193601170 773096849 /nfs/dbraw/zinc/09/68/49/773096849.db2.gz UWJLONMUOWNTHR-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001193601170 773096852 /nfs/dbraw/zinc/09/68/52/773096852.db2.gz UWJLONMUOWNTHR-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](C)OC)C2)CC1 ZINC001194247347 773167527 /nfs/dbraw/zinc/16/75/27/773167527.db2.gz XBNACOJAMLXRAI-DOTOQJQBSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070685 773394028 /nfs/dbraw/zinc/39/40/28/773394028.db2.gz QBMFWNDNRITHQK-RBSFLKMASA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001196164216 773549456 /nfs/dbraw/zinc/54/94/56/773549456.db2.gz YYSPRGGNVAGXOZ-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209251335 773575532 /nfs/dbraw/zinc/57/55/32/773575532.db2.gz NVYRBUSTZCDNNO-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642343 773629266 /nfs/dbraw/zinc/62/92/66/773629266.db2.gz GLJCVEALKYQSSE-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642343 773629270 /nfs/dbraw/zinc/62/92/70/773629270.db2.gz GLJCVEALKYQSSE-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210773443 773735548 /nfs/dbraw/zinc/73/55/48/773735548.db2.gz JKQTUPHCCXRFDH-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211090728 773769591 /nfs/dbraw/zinc/76/95/91/773769591.db2.gz LHJGWVUZJYHJPO-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197691645 773784492 /nfs/dbraw/zinc/78/44/92/773784492.db2.gz LUKUGSMLHUAZDR-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197691645 773784496 /nfs/dbraw/zinc/78/44/96/773784496.db2.gz LUKUGSMLHUAZDR-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197691645 773784502 /nfs/dbraw/zinc/78/45/02/773784502.db2.gz LUKUGSMLHUAZDR-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197691645 773784505 /nfs/dbraw/zinc/78/45/05/773784505.db2.gz LUKUGSMLHUAZDR-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197691645 773784511 /nfs/dbraw/zinc/78/45/11/773784511.db2.gz LUKUGSMLHUAZDR-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)CN1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197707916 773788661 /nfs/dbraw/zinc/78/86/61/773788661.db2.gz QUCZJWVTOFAUAO-UHFFFAOYSA-N 2 1 310.442 0.165 20 30 DCEDMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303885454 774014976 /nfs/dbraw/zinc/01/49/76/774014976.db2.gz NENPAHKBWAMQBN-OAHLLOKOSA-N 2 1 311.474 0.345 20 30 DCEDMP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303885454 774014982 /nfs/dbraw/zinc/01/49/82/774014982.db2.gz NENPAHKBWAMQBN-OAHLLOKOSA-N 3 1 311.474 0.345 20 30 DCEDMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303885454 774014986 /nfs/dbraw/zinc/01/49/86/774014986.db2.gz NENPAHKBWAMQBN-OAHLLOKOSA-N 3 1 311.474 0.345 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214973081 774029316 /nfs/dbraw/zinc/02/93/16/774029316.db2.gz LXCDFYVVGXZYRO-KFWWJZLASA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551668 774082404 /nfs/dbraw/zinc/08/24/04/774082404.db2.gz VZYLLXAJFXAPDR-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658319 774392362 /nfs/dbraw/zinc/39/23/62/774392362.db2.gz KQKXXXAADIKWFR-CVEARBPZSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CCCO1 ZINC001200722551 774399126 /nfs/dbraw/zinc/39/91/26/774399126.db2.gz ZQHNLFSYWSBKIZ-SJORKVTESA-N 2 1 317.433 0.314 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CCCO1 ZINC001200722551 774399131 /nfs/dbraw/zinc/39/91/31/774399131.db2.gz ZQHNLFSYWSBKIZ-SJORKVTESA-N 2 1 317.433 0.314 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201403603 774501583 /nfs/dbraw/zinc/50/15/83/774501583.db2.gz NCZJIDUVDJUANQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219801993 774613934 /nfs/dbraw/zinc/61/39/34/774613934.db2.gz BZXFTZDIXIJVRZ-KFWWJZLASA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114465343 774883780 /nfs/dbraw/zinc/88/37/80/774883780.db2.gz DNUUXPIFSRGYDH-ZSHCYNCHSA-N 2 1 321.465 0.967 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001114465512 774884396 /nfs/dbraw/zinc/88/43/96/774884396.db2.gz HUBGNSWXPCPYMA-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001114465512 774884405 /nfs/dbraw/zinc/88/44/05/774884405.db2.gz HUBGNSWXPCPYMA-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001114465512 774884410 /nfs/dbraw/zinc/88/44/10/774884410.db2.gz HUBGNSWXPCPYMA-XUWVNRHRSA-N 2 1 305.422 0.167 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806895 774920601 /nfs/dbraw/zinc/92/06/01/774920601.db2.gz LOTFAXLRXMNDFY-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976047 774966925 /nfs/dbraw/zinc/96/69/25/774966925.db2.gz HCUOSTCFNGUWHP-XHSDSOJGSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976047 774966930 /nfs/dbraw/zinc/96/69/30/774966930.db2.gz HCUOSTCFNGUWHP-XHSDSOJGSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976047 774966933 /nfs/dbraw/zinc/96/69/33/774966933.db2.gz HCUOSTCFNGUWHP-XHSDSOJGSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979162 775374562 /nfs/dbraw/zinc/37/45/62/775374562.db2.gz VQPANSJGKHGNLL-ZACQAIPSSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979162 775374572 /nfs/dbraw/zinc/37/45/72/775374572.db2.gz VQPANSJGKHGNLL-ZACQAIPSSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411773 775849435 /nfs/dbraw/zinc/84/94/35/775849435.db2.gz VOEMHHZRRICBED-JJXSEGSLSA-N 2 1 307.438 0.862 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOCC)CC1 ZINC001227848961 776016770 /nfs/dbraw/zinc/01/67/70/776016770.db2.gz FYQQLAUHIDMBOT-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOCC)CC1 ZINC001227848961 776016774 /nfs/dbraw/zinc/01/67/74/776016774.db2.gz FYQQLAUHIDMBOT-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228602598 776102009 /nfs/dbraw/zinc/10/20/09/776102009.db2.gz ICJDCRCYSAZOGN-GVDBMIGSSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001114849860 776249094 /nfs/dbraw/zinc/24/90/94/776249094.db2.gz ZBUGJMPFTUPACB-DZFIZOCASA-N 2 1 311.429 0.841 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCc1ccccc1 ZINC001114849860 776249101 /nfs/dbraw/zinc/24/91/01/776249101.db2.gz ZBUGJMPFTUPACB-DZFIZOCASA-N 2 1 311.429 0.841 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCc1ccccc1 ZINC001114849860 776249110 /nfs/dbraw/zinc/24/91/10/776249110.db2.gz ZBUGJMPFTUPACB-DZFIZOCASA-N 2 1 311.429 0.841 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](CC#CCOC)CC1 ZINC001230107374 776254038 /nfs/dbraw/zinc/25/40/38/776254038.db2.gz BVQKIFVBDDDKSI-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCF)C2)C1 ZINC001041369353 777233401 /nfs/dbraw/zinc/23/34/01/777233401.db2.gz YUYPKJKHJBPHHE-DOTOQJQBSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCF)C2)C1 ZINC001041369353 777233408 /nfs/dbraw/zinc/23/34/08/777233408.db2.gz YUYPKJKHJBPHHE-DOTOQJQBSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCF)C2)C1 ZINC001041369353 777233417 /nfs/dbraw/zinc/23/34/17/777233417.db2.gz YUYPKJKHJBPHHE-DOTOQJQBSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCF)C2)C1 ZINC001041369353 777233425 /nfs/dbraw/zinc/23/34/25/777233425.db2.gz YUYPKJKHJBPHHE-DOTOQJQBSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001042291990 777842004 /nfs/dbraw/zinc/84/20/04/777842004.db2.gz JVOYOHYGNQNMQS-DOTOQJQBSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266246561 939025391 /nfs/dbraw/zinc/02/53/91/939025391.db2.gz RWOADBKKTLIICB-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001266246561 939025393 /nfs/dbraw/zinc/02/53/93/939025393.db2.gz RWOADBKKTLIICB-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266246561 939025395 /nfs/dbraw/zinc/02/53/95/939025395.db2.gz RWOADBKKTLIICB-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266246561 939025396 /nfs/dbraw/zinc/02/53/96/939025396.db2.gz RWOADBKKTLIICB-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266246561 939025398 /nfs/dbraw/zinc/02/53/98/939025398.db2.gz RWOADBKKTLIICB-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266251843 939027326 /nfs/dbraw/zinc/02/73/26/939027326.db2.gz HJRKNWXJLGJRMH-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266251843 939027329 /nfs/dbraw/zinc/02/73/29/939027329.db2.gz HJRKNWXJLGJRMH-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251843 939027331 /nfs/dbraw/zinc/02/73/31/939027331.db2.gz HJRKNWXJLGJRMH-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251843 939027333 /nfs/dbraw/zinc/02/73/33/939027333.db2.gz HJRKNWXJLGJRMH-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001266286128 939048776 /nfs/dbraw/zinc/04/87/76/939048776.db2.gz ZVUIZGCQVRLODR-UHFFFAOYSA-N 2 1 306.454 0.228 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001266555232 939162465 /nfs/dbraw/zinc/16/24/65/939162465.db2.gz SRBCFMFCSLUNFO-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001267657987 939615163 /nfs/dbraw/zinc/61/51/63/939615163.db2.gz JTNPYZJECCVWPE-MRXNPFEDSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001279738894 939615249 /nfs/dbraw/zinc/61/52/49/939615249.db2.gz YPZPSBFEWPLPNY-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267791190 939683837 /nfs/dbraw/zinc/68/38/37/939683837.db2.gz VWTNUJCEISZCQN-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267791190 939683838 /nfs/dbraw/zinc/68/38/38/939683838.db2.gz VWTNUJCEISZCQN-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267791190 939683839 /nfs/dbraw/zinc/68/38/39/939683839.db2.gz VWTNUJCEISZCQN-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267791190 939683840 /nfs/dbraw/zinc/68/38/40/939683840.db2.gz VWTNUJCEISZCQN-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267791190 939683841 /nfs/dbraw/zinc/68/38/41/939683841.db2.gz VWTNUJCEISZCQN-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC#CCOC ZINC001267805597 939686049 /nfs/dbraw/zinc/68/60/49/939686049.db2.gz QZBSOOVHMKPMHV-CVEARBPZSA-N 2 1 309.454 0.993 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC#CCOC)C1 ZINC001481504109 939905396 /nfs/dbraw/zinc/90/53/96/939905396.db2.gz KVWRVTHBHRFCIQ-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)CC#CCOC)C1 ZINC001481504109 939905399 /nfs/dbraw/zinc/90/53/99/939905399.db2.gz KVWRVTHBHRFCIQ-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)CC#CCOC)C1 ZINC001481504109 939905402 /nfs/dbraw/zinc/90/54/02/939905402.db2.gz KVWRVTHBHRFCIQ-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)COC)C1 ZINC001481522200 939914089 /nfs/dbraw/zinc/91/40/89/939914089.db2.gz JMYJCURHFMJQGC-JYJNAYRXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)COC)C1 ZINC001481522200 939914090 /nfs/dbraw/zinc/91/40/90/939914090.db2.gz JMYJCURHFMJQGC-JYJNAYRXSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001268269750 940012945 /nfs/dbraw/zinc/01/29/45/940012945.db2.gz VQJJSASEMHXEBA-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCOC)CC1 ZINC001482043908 940227841 /nfs/dbraw/zinc/22/78/41/940227841.db2.gz ZBSDSIYCNVJSKI-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCOC)CC1 ZINC001482043908 940227843 /nfs/dbraw/zinc/22/78/43/940227843.db2.gz ZBSDSIYCNVJSKI-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCO)CCCC1 ZINC001482221429 940715297 /nfs/dbraw/zinc/71/52/97/940715297.db2.gz ILTDRRSRQAECJV-HNNXBMFYSA-N 2 1 307.438 0.485 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCO)CCCC1 ZINC001482221429 940715301 /nfs/dbraw/zinc/71/53/01/940715301.db2.gz ILTDRRSRQAECJV-HNNXBMFYSA-N 2 1 307.438 0.485 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001482799224 941675196 /nfs/dbraw/zinc/67/51/96/941675196.db2.gz NYAULVQBKJKRKB-CVEARBPZSA-N 2 1 303.406 0.379 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001483485906 942381912 /nfs/dbraw/zinc/38/19/12/942381912.db2.gz OEKTZSHRRDCNOW-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077440092 942404794 /nfs/dbraw/zinc/40/47/94/942404794.db2.gz DGICPSDYKBQJKX-OAGGEKHMSA-N 2 1 307.438 0.598 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001272520338 942800526 /nfs/dbraw/zinc/80/05/26/942800526.db2.gz HGSODYBRZQIBCK-XJKSGUPXSA-N 2 1 313.417 0.289 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001272565810 942828338 /nfs/dbraw/zinc/82/83/38/942828338.db2.gz OZUDRIZOPKIGNR-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001483745051 942846374 /nfs/dbraw/zinc/84/63/74/942846374.db2.gz VMYPQVASRIAYPW-ZIAGYGMSSA-N 2 1 322.453 0.400 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001483941864 943040947 /nfs/dbraw/zinc/04/09/47/943040947.db2.gz GMNMGRCKGILDTL-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484045386 943109157 /nfs/dbraw/zinc/10/91/57/943109157.db2.gz RDNARQOLNLDFIM-CPUCHLNUSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484045386 943109160 /nfs/dbraw/zinc/10/91/60/943109160.db2.gz RDNARQOLNLDFIM-CPUCHLNUSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484045386 943109162 /nfs/dbraw/zinc/10/91/62/943109162.db2.gz RDNARQOLNLDFIM-CPUCHLNUSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484045386 943109165 /nfs/dbraw/zinc/10/91/65/943109165.db2.gz RDNARQOLNLDFIM-CPUCHLNUSA-N 2 1 322.453 0.209 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001484225371 943220960 /nfs/dbraw/zinc/22/09/60/943220960.db2.gz XIRQMCJUQPZDFL-INIZCTEOSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001484414999 943364216 /nfs/dbraw/zinc/36/42/16/943364216.db2.gz JVRPAXKMMWNPNZ-IYBDPMFKSA-N 2 1 307.438 0.367 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001484414999 943364223 /nfs/dbraw/zinc/36/42/23/943364223.db2.gz JVRPAXKMMWNPNZ-IYBDPMFKSA-N 2 1 307.438 0.367 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001484414999 943364231 /nfs/dbraw/zinc/36/42/31/943364231.db2.gz JVRPAXKMMWNPNZ-IYBDPMFKSA-N 2 1 307.438 0.367 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001484842345 943591226 /nfs/dbraw/zinc/59/12/26/943591226.db2.gz XUTLVUJWQHPEAT-LZLYRXPVSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485077074 943683589 /nfs/dbraw/zinc/68/35/89/943683589.db2.gz QSJDAJUGWBUVEX-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485077074 943683594 /nfs/dbraw/zinc/68/35/94/943683594.db2.gz QSJDAJUGWBUVEX-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC#CCOC ZINC001491228943 943851719 /nfs/dbraw/zinc/85/17/19/943851719.db2.gz KQNOJIJCOHDTPL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC#CCOC ZINC001491228943 943851727 /nfs/dbraw/zinc/85/17/27/943851727.db2.gz KQNOJIJCOHDTPL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC#CCOC ZINC001491228943 943851736 /nfs/dbraw/zinc/85/17/36/943851736.db2.gz KQNOJIJCOHDTPL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1CC#CCOC ZINC001491228943 943851743 /nfs/dbraw/zinc/85/17/43/943851743.db2.gz KQNOJIJCOHDTPL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001491235621 943852982 /nfs/dbraw/zinc/85/29/82/943852982.db2.gz FBEXJWRMJWBGHV-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001485773155 944130681 /nfs/dbraw/zinc/13/06/81/944130681.db2.gz UTJZNEBAJYAAPQ-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276609700 944232382 /nfs/dbraw/zinc/23/23/82/944232382.db2.gz XXIRVFMPSYQANF-UONOGXRCSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276609700 944232387 /nfs/dbraw/zinc/23/23/87/944232387.db2.gz XXIRVFMPSYQANF-UONOGXRCSA-N 2 1 324.469 0.455 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC#CCOC)CC2 ZINC001317004764 944733152 /nfs/dbraw/zinc/73/31/52/944733152.db2.gz DALXYCYXEXDLER-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317082317 944783084 /nfs/dbraw/zinc/78/30/84/944783084.db2.gz NBDCRYSBCZEJGZ-JOCQHMNTSA-N 2 1 308.426 0.010 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC#CCOC)C1 ZINC001317143232 944821587 /nfs/dbraw/zinc/82/15/87/944821587.db2.gz LNSTZWKCXKDFPZ-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC001317143232 944821591 /nfs/dbraw/zinc/82/15/91/944821591.db2.gz LNSTZWKCXKDFPZ-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001317143232 944821595 /nfs/dbraw/zinc/82/15/95/944821595.db2.gz LNSTZWKCXKDFPZ-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)C1CC[NH+](CC#C)CC1)CCOC ZINC001486433581 944885078 /nfs/dbraw/zinc/88/50/78/944885078.db2.gz IRMTZXBLGILMOB-UHFFFAOYSA-N 2 1 305.422 0.029 20 30 DCEDMP C#CC[N@H+](CCNC(=O)C1CC[NH+](CC#C)CC1)CCOC ZINC001486433581 944885083 /nfs/dbraw/zinc/88/50/83/944885083.db2.gz IRMTZXBLGILMOB-UHFFFAOYSA-N 2 1 305.422 0.029 20 30 DCEDMP CC#CC[NH2+][C@H](CCNC(=O)CC[NH+]1CCOCC1)C(C)C ZINC001277591736 944895988 /nfs/dbraw/zinc/89/59/88/944895988.db2.gz NYGZLAQYPQZRQL-MRXNPFEDSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317321151 944923339 /nfs/dbraw/zinc/92/33/39/944923339.db2.gz DMYWPLAUPFGBFC-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001317552672 945046851 /nfs/dbraw/zinc/04/68/51/945046851.db2.gz AWPCHHARIKEKBU-UHFFFAOYSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC#CCOC ZINC001318563302 945402002 /nfs/dbraw/zinc/40/20/02/945402002.db2.gz VJLYREGXYVHSAV-JYJNAYRXSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001319981632 945708372 /nfs/dbraw/zinc/70/83/72/945708372.db2.gz ROOQXWARQLCVIN-LSDHHAIUSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001319981632 945708380 /nfs/dbraw/zinc/70/83/80/945708380.db2.gz ROOQXWARQLCVIN-LSDHHAIUSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001319981632 945708384 /nfs/dbraw/zinc/70/83/84/945708384.db2.gz ROOQXWARQLCVIN-LSDHHAIUSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001319981632 945708389 /nfs/dbraw/zinc/70/83/89/945708389.db2.gz ROOQXWARQLCVIN-LSDHHAIUSA-N 2 1 322.453 0.258 20 30 DCEDMP C#CCOC[C@@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001251835843 945790009 /nfs/dbraw/zinc/79/00/09/945790009.db2.gz PZNMOSVBQRMMPP-ZWKOTPCHSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001251835843 945790012 /nfs/dbraw/zinc/79/00/12/945790012.db2.gz PZNMOSVBQRMMPP-ZWKOTPCHSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@@H](O)C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001251835843 945790015 /nfs/dbraw/zinc/79/00/15/945790015.db2.gz PZNMOSVBQRMMPP-ZWKOTPCHSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001251835843 945790017 /nfs/dbraw/zinc/79/00/17/945790017.db2.gz PZNMOSVBQRMMPP-ZWKOTPCHSA-N 2 1 324.465 0.820 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001320273138 945797606 /nfs/dbraw/zinc/79/76/06/945797606.db2.gz KHFIPSHSBORTMC-ZDUSSCGKSA-N 2 1 322.409 0.527 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001278859564 946491209 /nfs/dbraw/zinc/49/12/09/946491209.db2.gz DKZZJFYRRYVWMT-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001278859564 946491218 /nfs/dbraw/zinc/49/12/18/946491218.db2.gz DKZZJFYRRYVWMT-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001278859564 946491222 /nfs/dbraw/zinc/49/12/22/946491222.db2.gz DKZZJFYRRYVWMT-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001324456273 947431330 /nfs/dbraw/zinc/43/13/30/947431330.db2.gz UCZKJDBPDTZWJM-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001324662428 947499437 /nfs/dbraw/zinc/49/94/37/947499437.db2.gz UFKGSTQXUXRCQK-CZUORRHYSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001324662428 947499442 /nfs/dbraw/zinc/49/94/42/947499442.db2.gz UFKGSTQXUXRCQK-CZUORRHYSA-N 2 1 310.442 0.209 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001327669263 948590172 /nfs/dbraw/zinc/59/01/72/948590172.db2.gz GDGZFGMLDFIMNU-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001273902322 948671751 /nfs/dbraw/zinc/67/17/51/948671751.db2.gz AXABLRMSPBFZMV-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C#N)CO)CC2)CC1 ZINC001328340605 948845496 /nfs/dbraw/zinc/84/54/96/948845496.db2.gz QVZKUHCLSIHOOX-AWEZNQCLSA-N 2 1 308.426 0.183 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1OCC ZINC001264537590 948996608 /nfs/dbraw/zinc/99/66/08/948996608.db2.gz PLCPSYQTILYGEN-NUJGCVRESA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001328875681 949158877 /nfs/dbraw/zinc/15/88/77/949158877.db2.gz JBWAMAOZEFTRLE-UYSNPLJNSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001489169883 949528416 /nfs/dbraw/zinc/52/84/16/949528416.db2.gz UCKLZCTZYNEQIX-HZPDHXFCSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](CC)CCO)C1 ZINC001489160552 949570111 /nfs/dbraw/zinc/57/01/11/949570111.db2.gz JKGXPLNFNBPPTF-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](CC)CCO)C1 ZINC001489160552 949570123 /nfs/dbraw/zinc/57/01/23/949570123.db2.gz JKGXPLNFNBPPTF-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](CC)CCO)C1 ZINC001489160552 949570132 /nfs/dbraw/zinc/57/01/32/949570132.db2.gz JKGXPLNFNBPPTF-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](CC)CCO)C1 ZINC001489160552 949570144 /nfs/dbraw/zinc/57/01/44/949570144.db2.gz JKGXPLNFNBPPTF-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001329514622 949653289 /nfs/dbraw/zinc/65/32/89/949653289.db2.gz FREBJLFATYSASV-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN(C)[C@@H](C)CNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001329514622 949653298 /nfs/dbraw/zinc/65/32/98/949653298.db2.gz FREBJLFATYSASV-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265594662 949804618 /nfs/dbraw/zinc/80/46/18/949804618.db2.gz HMWUUMMOUHIKNY-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265594662 949804641 /nfs/dbraw/zinc/80/46/41/949804641.db2.gz HMWUUMMOUHIKNY-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265594662 949804666 /nfs/dbraw/zinc/80/46/66/949804666.db2.gz HMWUUMMOUHIKNY-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265874504 950070866 /nfs/dbraw/zinc/07/08/66/950070866.db2.gz FVBMKIOHHXVBOI-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001265874504 950070877 /nfs/dbraw/zinc/07/08/77/950070877.db2.gz FVBMKIOHHXVBOI-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001265874504 950070896 /nfs/dbraw/zinc/07/08/96/950070896.db2.gz FVBMKIOHHXVBOI-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001265947440 950179568 /nfs/dbraw/zinc/17/95/68/950179568.db2.gz LLXFVOAFKVHOMW-GJZGRUSLSA-N 2 1 322.453 0.304 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCOC)C1 ZINC001265986885 950230839 /nfs/dbraw/zinc/23/08/39/950230839.db2.gz ORLPJDRKKGGNCE-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCOC)C1 ZINC001265986885 950230855 /nfs/dbraw/zinc/23/08/55/950230855.db2.gz ORLPJDRKKGGNCE-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330359393 950306143 /nfs/dbraw/zinc/30/61/43/950306143.db2.gz HYSXYLJCWXRQHN-VQHPVUNQSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330359393 950306165 /nfs/dbraw/zinc/30/61/65/950306165.db2.gz HYSXYLJCWXRQHN-VQHPVUNQSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330359393 950306185 /nfs/dbraw/zinc/30/61/85/950306185.db2.gz HYSXYLJCWXRQHN-VQHPVUNQSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001266189275 950454132 /nfs/dbraw/zinc/45/41/32/950454132.db2.gz BWSNRZLRDXYDFB-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001330956425 950788989 /nfs/dbraw/zinc/78/89/89/950788989.db2.gz YIOGHSGUPNHGBI-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCCC[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001490515800 950844388 /nfs/dbraw/zinc/84/43/88/950844388.db2.gz ZCQTXMNIAYGRRN-UHFFFAOYSA-N 2 1 319.453 0.892 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@@H](CC)C(N)=O ZINC001280822764 951107756 /nfs/dbraw/zinc/10/77/56/951107756.db2.gz PKWMDHHFZAYQEC-GJZGRUSLSA-N 2 1 322.453 0.128 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@@H](CC)C(N)=O ZINC001280822764 951107763 /nfs/dbraw/zinc/10/77/63/951107763.db2.gz PKWMDHHFZAYQEC-GJZGRUSLSA-N 2 1 322.453 0.128 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@@H](CC)C(N)=O ZINC001280822764 951107771 /nfs/dbraw/zinc/10/77/71/951107771.db2.gz PKWMDHHFZAYQEC-GJZGRUSLSA-N 2 1 322.453 0.128 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@@H](CC)C(N)=O ZINC001280822764 951107775 /nfs/dbraw/zinc/10/77/75/951107775.db2.gz PKWMDHHFZAYQEC-GJZGRUSLSA-N 2 1 322.453 0.128 20 30 DCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274619742 951743334 /nfs/dbraw/zinc/74/33/34/951743334.db2.gz CJVNOPFRPYSRFP-DOTOQJQBSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C[C@@](C)(O)C[N@@H+]1CCC[C@]12CCN(Cc1cncn1C)C2=O ZINC001274617277 951743625 /nfs/dbraw/zinc/74/36/25/951743625.db2.gz WTVOQKLPRAZDPP-IAGOWNOFSA-N 2 1 318.421 0.924 20 30 DCEDMP C=CCN1CC[C@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274656839 951769226 /nfs/dbraw/zinc/76/92/26/951769226.db2.gz RXIRKXZMHYXSOA-RDJZCZTQSA-N 2 1 309.454 0.800 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280707015 951770363 /nfs/dbraw/zinc/77/03/63/951770363.db2.gz FSMRZUBPYMCDJD-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001280707015 951770374 /nfs/dbraw/zinc/77/03/74/951770374.db2.gz FSMRZUBPYMCDJD-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001280707015 951770379 /nfs/dbraw/zinc/77/03/79/951770379.db2.gz FSMRZUBPYMCDJD-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275929009 952532966 /nfs/dbraw/zinc/53/29/66/952532966.db2.gz WHGMWHDSZRVQIR-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)CN(C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001275929009 952532962 /nfs/dbraw/zinc/53/29/62/952532962.db2.gz WHGMWHDSZRVQIR-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001275929009 952532973 /nfs/dbraw/zinc/53/29/73/952532973.db2.gz WHGMWHDSZRVQIR-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001275929009 952532975 /nfs/dbraw/zinc/53/29/75/952532975.db2.gz WHGMWHDSZRVQIR-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCCC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001281799266 953369241 /nfs/dbraw/zinc/36/92/41/953369241.db2.gz CQASFKAQIOZXJG-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001281965242 953433809 /nfs/dbraw/zinc/43/38/09/953433809.db2.gz PPXSDEXYDNJLRA-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001282714620 953657428 /nfs/dbraw/zinc/65/74/28/953657428.db2.gz JXYINZWGXWVLSU-DOTOQJQBSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001282714620 953657432 /nfs/dbraw/zinc/65/74/32/953657432.db2.gz JXYINZWGXWVLSU-DOTOQJQBSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001282872115 953711348 /nfs/dbraw/zinc/71/13/48/953711348.db2.gz PQIHACSPRUMWFY-WCXIOVBPSA-N 2 1 319.449 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001282872115 953711357 /nfs/dbraw/zinc/71/13/57/953711357.db2.gz PQIHACSPRUMWFY-WCXIOVBPSA-N 2 1 319.449 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001282872115 953711362 /nfs/dbraw/zinc/71/13/62/953711362.db2.gz PQIHACSPRUMWFY-WCXIOVBPSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[C@H](CCOC)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001348110617 954204494 /nfs/dbraw/zinc/20/44/94/954204494.db2.gz LUMHLAXOTNEJTF-MRXNPFEDSA-N 2 1 317.437 0.746 20 30 DCEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001283405951 954329929 /nfs/dbraw/zinc/32/99/29/954329929.db2.gz CFICHZYMOLXUBE-ZIAGYGMSSA-N 2 1 304.394 0.221 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001284178861 954905141 /nfs/dbraw/zinc/90/51/41/954905141.db2.gz JJHDRQKWFYNFHL-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001284443595 955099412 /nfs/dbraw/zinc/09/94/12/955099412.db2.gz DHGMHVTVLHESKY-GOEBONIOSA-N 2 1 318.421 0.186 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001284726092 955245851 /nfs/dbraw/zinc/24/58/51/955245851.db2.gz PLKSLGBZOSITRT-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317521858 960269230 /nfs/dbraw/zinc/26/92/30/960269230.db2.gz FKDNSEWNLYJGTE-DOTOQJQBSA-N 2 1 321.465 0.969 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001316969005 960326187 /nfs/dbraw/zinc/32/61/87/960326187.db2.gz WNJRWVIMRKZGNG-MRXNPFEDSA-N 2 1 308.470 0.474 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328764268 960333313 /nfs/dbraw/zinc/33/33/13/960333313.db2.gz JXQZZVODAQBDAB-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001316783873 960376257 /nfs/dbraw/zinc/37/62/57/960376257.db2.gz WZJYNYCVDLJLPI-FPCVCCKLSA-N 2 1 307.438 0.555 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001316783873 960376265 /nfs/dbraw/zinc/37/62/65/960376265.db2.gz WZJYNYCVDLJLPI-FPCVCCKLSA-N 2 1 307.438 0.555 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001316783873 960376273 /nfs/dbraw/zinc/37/62/73/960376273.db2.gz WZJYNYCVDLJLPI-FPCVCCKLSA-N 2 1 307.438 0.555 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001316783873 960376282 /nfs/dbraw/zinc/37/62/82/960376282.db2.gz WZJYNYCVDLJLPI-FPCVCCKLSA-N 2 1 307.438 0.555 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001369381522 964861765 /nfs/dbraw/zinc/86/17/65/964861765.db2.gz KQQDBMRBMLJRMR-JKSUJKDBSA-N 2 1 316.405 0.077 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001502846761 1016099686 /nfs/dbraw/zinc/09/96/86/1016099686.db2.gz PGOHGUFJPVQYAM-UHFFFAOYSA-N 2 1 308.470 0.733 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001505518663 1016283890 /nfs/dbraw/zinc/28/38/90/1016283890.db2.gz RNGAWEMZPDCCPW-FHERZECASA-N 2 1 307.438 0.462 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001401142572 1000224412 /nfs/dbraw/zinc/22/44/12/1000224412.db2.gz KZEAVHSQZACURI-LBPRGKRZSA-N 2 1 303.834 0.803 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001507507899 1016433773 /nfs/dbraw/zinc/43/37/73/1016433773.db2.gz WFKRIEQXEIVFAS-CVEARBPZSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCC=C ZINC001507647455 1016506545 /nfs/dbraw/zinc/50/65/45/1016506545.db2.gz BZCINNMNHYDPFG-HOTGVXAUSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC=C ZINC001507647455 1016506558 /nfs/dbraw/zinc/50/65/58/1016506558.db2.gz BZCINNMNHYDPFG-HOTGVXAUSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC=C ZINC001507647455 1016506566 /nfs/dbraw/zinc/50/65/66/1016506566.db2.gz BZCINNMNHYDPFG-HOTGVXAUSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC=C ZINC001507647455 1016506581 /nfs/dbraw/zinc/50/65/81/1016506581.db2.gz BZCINNMNHYDPFG-HOTGVXAUSA-N 2 1 307.438 0.411 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506040617 1016936863 /nfs/dbraw/zinc/93/68/63/1016936863.db2.gz CDUUBSDDNHELBS-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506040617 1016936873 /nfs/dbraw/zinc/93/68/73/1016936873.db2.gz CDUUBSDDNHELBS-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001506065857 1016973527 /nfs/dbraw/zinc/97/35/27/1016973527.db2.gz XKNPRFFRQSZBOG-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001506065857 1016973541 /nfs/dbraw/zinc/97/35/41/1016973541.db2.gz XKNPRFFRQSZBOG-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495297970 1018450431 /nfs/dbraw/zinc/45/04/31/1018450431.db2.gz HJSXPISMNLUHKM-WMLDXEAASA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001495398835 1018489197 /nfs/dbraw/zinc/48/91/97/1018489197.db2.gz ZTIUZKGQELKBER-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500725843 1018612498 /nfs/dbraw/zinc/61/24/98/1018612498.db2.gz VJRFBWNHSFLCCI-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500725843 1018612502 /nfs/dbraw/zinc/61/25/02/1018612502.db2.gz VJRFBWNHSFLCCI-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500725843 1018612507 /nfs/dbraw/zinc/61/25/07/1018612507.db2.gz VJRFBWNHSFLCCI-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001480665094 1018755704 /nfs/dbraw/zinc/75/57/04/1018755704.db2.gz ITDODQCLKRDOGM-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001502072980 1019685796 /nfs/dbraw/zinc/68/57/96/1019685796.db2.gz XSTMHILHHVQFBP-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001502101742 1019720454 /nfs/dbraw/zinc/72/04/54/1019720454.db2.gz IDJTYKMNECECLM-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001502101742 1019720464 /nfs/dbraw/zinc/72/04/64/1019720464.db2.gz IDJTYKMNECECLM-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001494167761 1020041318 /nfs/dbraw/zinc/04/13/18/1020041318.db2.gz VYNSKKOHLNPWMC-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001494167761 1020041321 /nfs/dbraw/zinc/04/13/21/1020041321.db2.gz VYNSKKOHLNPWMC-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001494317735 1020129184 /nfs/dbraw/zinc/12/91/84/1020129184.db2.gz VPNOPBCPNIWUKU-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001494317735 1020129188 /nfs/dbraw/zinc/12/91/88/1020129188.db2.gz VPNOPBCPNIWUKU-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001494317735 1020129212 /nfs/dbraw/zinc/12/92/12/1020129212.db2.gz VPNOPBCPNIWUKU-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001494317735 1020129220 /nfs/dbraw/zinc/12/92/20/1020129220.db2.gz VPNOPBCPNIWUKU-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000491251807 533103820 /nfs/dbraw/zinc/10/38/20/533103820.db2.gz CGJBGDSKQNOUBZ-INIZCTEOSA-N 2 1 323.485 0.124 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000491251807 533103823 /nfs/dbraw/zinc/10/38/23/533103823.db2.gz CGJBGDSKQNOUBZ-INIZCTEOSA-N 2 1 323.485 0.124 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000491251807 533103825 /nfs/dbraw/zinc/10/38/25/533103825.db2.gz CGJBGDSKQNOUBZ-INIZCTEOSA-N 2 1 323.485 0.124 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000491783265 533145399 /nfs/dbraw/zinc/14/53/99/533145399.db2.gz QTWDLWDYJXPBTH-CABCVRRESA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000491783265 533145402 /nfs/dbraw/zinc/14/54/02/533145402.db2.gz QTWDLWDYJXPBTH-CABCVRRESA-N 2 1 307.438 0.245 20 30 DCEDMP CCc1nn(C)c(OC)c1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000092854343 395733942 /nfs/dbraw/zinc/73/39/42/395733942.db2.gz YKTSXPZRRCGJGZ-LBPRGKRZSA-N 2 1 322.457 0.880 20 30 DCEDMP CN(c1ccnc(C#N)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000594556182 396486532 /nfs/dbraw/zinc/48/65/32/396486532.db2.gz RZRPUZXDUQYDDV-CQSZACIVSA-N 2 1 300.410 0.953 20 30 DCEDMP CC1CCN(C(=[NH2+])NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000303376437 396725220 /nfs/dbraw/zinc/72/52/20/396725220.db2.gz OIWNFRRGUHFTQY-OAHLLOKOSA-N 2 1 323.485 0.976 20 30 DCEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600738321 396934232 /nfs/dbraw/zinc/93/42/32/396934232.db2.gz JRYAKBLKIDYIRI-CVEARBPZSA-N 2 1 319.405 0.344 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC000490924500 397499165 /nfs/dbraw/zinc/49/91/65/397499165.db2.gz QAHDVFQBOANIHH-KRWDZBQOSA-N 2 1 319.449 0.655 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(F)cc1 ZINC000104153479 415622759 /nfs/dbraw/zinc/62/27/59/415622759.db2.gz SQVJRPLEXLTJTC-UHFFFAOYSA-N 2 1 308.401 0.995 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000184408228 416252093 /nfs/dbraw/zinc/25/20/93/416252093.db2.gz GYAORTVVUYLWHV-INIZCTEOSA-N 2 1 320.481 0.474 20 30 DCEDMP COCCNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190528323 416280133 /nfs/dbraw/zinc/28/01/33/416280133.db2.gz IKXNBLMMLACLOY-MRXNPFEDSA-N 2 1 320.437 0.828 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000491299541 416594365 /nfs/dbraw/zinc/59/43/65/416594365.db2.gz ZVBADSUNMNJKRH-LSDHHAIUSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000491299541 416594371 /nfs/dbraw/zinc/59/43/71/416594371.db2.gz ZVBADSUNMNJKRH-LSDHHAIUSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000491299541 416594377 /nfs/dbraw/zinc/59/43/77/416594377.db2.gz ZVBADSUNMNJKRH-LSDHHAIUSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CCNC(=O)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000491119810 416585763 /nfs/dbraw/zinc/58/57/63/416585763.db2.gz JTSDWIOBXJAFOJ-SJPCQFCGSA-N 2 1 318.465 0.369 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000491785103 416628231 /nfs/dbraw/zinc/62/82/31/416628231.db2.gz ROZYVHXRNUKZON-OAHLLOKOSA-N 2 1 324.469 0.428 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000491785103 416628235 /nfs/dbraw/zinc/62/82/35/416628235.db2.gz ROZYVHXRNUKZON-OAHLLOKOSA-N 2 1 324.469 0.428 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000491785103 416628238 /nfs/dbraw/zinc/62/82/38/416628238.db2.gz ROZYVHXRNUKZON-OAHLLOKOSA-N 2 1 324.469 0.428 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369398077 416766582 /nfs/dbraw/zinc/76/65/82/416766582.db2.gz LMHLGLRQAZAWQX-CVEARBPZSA-N 2 1 308.470 0.777 20 30 DCEDMP C=CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)nn1 ZINC000655936424 418304469 /nfs/dbraw/zinc/30/44/69/418304469.db2.gz FAUXSGYXVODFOG-CYBMUJFWSA-N 2 1 306.414 0.141 20 30 DCEDMP C=CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)nn1 ZINC000655936424 418304470 /nfs/dbraw/zinc/30/44/70/418304470.db2.gz FAUXSGYXVODFOG-CYBMUJFWSA-N 2 1 306.414 0.141 20 30 DCEDMP C[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418317498 262274890 /nfs/dbraw/zinc/27/48/90/262274890.db2.gz MSUZMUIIMXETKC-UHFFFAOYSA-N 2 1 315.421 0.995 20 30 DCEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001656784854 1173884592 /nfs/dbraw/zinc/88/45/92/1173884592.db2.gz ZYQJDXJDCOUSDK-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP CC1CC[NH+](CC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330027389 336107317 /nfs/dbraw/zinc/10/73/17/336107317.db2.gz NAIJKXSPTOFIAX-UHFFFAOYSA-N 2 1 310.442 0.839 20 30 DCEDMP C=C(C)COCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134507749 341216561 /nfs/dbraw/zinc/21/65/61/341216561.db2.gz QJYGIYFXSHNYEA-UHFFFAOYSA-N 2 1 305.426 0.911 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001567849142 1160499208 /nfs/dbraw/zinc/49/92/08/1160499208.db2.gz SVDKQWURTJTLHR-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001569307077 1161006566 /nfs/dbraw/zinc/00/65/66/1161006566.db2.gz AZHOKXVMMXXECU-CVEARBPZSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001569854415 1161285555 /nfs/dbraw/zinc/28/55/55/1161285555.db2.gz BJWZONGJUHXKPS-JKSUJKDBSA-N 2 1 309.454 0.661 20 30 DCEDMP COc1ccc(NC(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000170912683 533988276 /nfs/dbraw/zinc/98/82/76/533988276.db2.gz MSYUKVGEFNHUKY-UHFFFAOYSA-N 2 1 319.409 0.586 20 30 DCEDMP C[NH+]=C(NCCn1ccnc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261812873 526367142 /nfs/dbraw/zinc/36/71/42/526367142.db2.gz SVNPGEZNFPYWCV-OAHLLOKOSA-N 2 1 320.441 0.113 20 30 DCEDMP C[NH+]=C(NC[C@H](C)SC)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261851607 526374330 /nfs/dbraw/zinc/37/43/30/526374330.db2.gz XHTQUHMSWBLUOR-KBPBESRZSA-N 2 1 314.499 0.967 20 30 DCEDMP C[NH+]=C(NCc1cccn1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261694886 526384601 /nfs/dbraw/zinc/38/46/01/526384601.db2.gz ISZKLPDVYBYIGA-HNNXBMFYSA-N 2 1 319.453 0.755 20 30 DCEDMP C[NH+]=C(NCc1nc(C)no1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261859315 526390371 /nfs/dbraw/zinc/39/03/71/526390371.db2.gz YFXBMMXGFIUQJE-CYBMUJFWSA-N 2 1 322.413 0.108 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371349132 527026080 /nfs/dbraw/zinc/02/60/80/527026080.db2.gz FXBALYUFDSIBMT-INIZCTEOSA-N 2 1 320.481 0.615 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264308405 529074128 /nfs/dbraw/zinc/07/41/28/529074128.db2.gz UMRGRRUJMLMYBG-CVEARBPZSA-N 2 1 304.438 0.979 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978171544 660493780 /nfs/dbraw/zinc/49/37/80/660493780.db2.gz ASROVZMJKYYWSH-VQHPVUNQSA-N 2 1 301.434 0.646 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978332172 660524003 /nfs/dbraw/zinc/52/40/03/660524003.db2.gz HEMZEQFJPJEAPE-DGXTUMSLSA-N 2 1 307.438 0.576 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978332172 660524004 /nfs/dbraw/zinc/52/40/04/660524004.db2.gz HEMZEQFJPJEAPE-DGXTUMSLSA-N 2 1 307.438 0.576 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978332172 660524005 /nfs/dbraw/zinc/52/40/05/660524005.db2.gz HEMZEQFJPJEAPE-DGXTUMSLSA-N 2 1 307.438 0.576 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978332172 660524006 /nfs/dbraw/zinc/52/40/06/660524006.db2.gz HEMZEQFJPJEAPE-DGXTUMSLSA-N 2 1 307.438 0.576 20 30 DCEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981209012 661101367 /nfs/dbraw/zinc/10/13/67/661101367.db2.gz DLFLWHMJOJXPCO-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981209012 661101369 /nfs/dbraw/zinc/10/13/69/661101369.db2.gz DLFLWHMJOJXPCO-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981209012 661101372 /nfs/dbraw/zinc/10/13/72/661101372.db2.gz DLFLWHMJOJXPCO-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041841766 658392834 /nfs/dbraw/zinc/39/28/34/658392834.db2.gz UCWMZDUPPITFJL-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041841766 658392845 /nfs/dbraw/zinc/39/28/45/658392845.db2.gz UCWMZDUPPITFJL-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841766 658392855 /nfs/dbraw/zinc/39/28/55/658392855.db2.gz UCWMZDUPPITFJL-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841766 658392868 /nfs/dbraw/zinc/39/28/68/658392868.db2.gz UCWMZDUPPITFJL-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999145661 665585311 /nfs/dbraw/zinc/58/53/11/665585311.db2.gz OQZMQPAONWBESZ-RDVIWEACSA-N 2 1 305.422 0.615 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(C)C)CCO2 ZINC000972417377 658739709 /nfs/dbraw/zinc/73/97/09/658739709.db2.gz UKIULYMWEYGMGG-FUHWJXTLSA-N 2 1 319.449 0.796 20 30 DCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856559 665656883 /nfs/dbraw/zinc/65/68/83/665656883.db2.gz CENWCJYCHNAGSO-GNHJJJEISA-N 2 1 305.422 0.474 20 30 DCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856560 665656930 /nfs/dbraw/zinc/65/69/30/665656930.db2.gz CENWCJYCHNAGSO-GULBITTBSA-N 2 1 305.422 0.474 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001019386748 659405364 /nfs/dbraw/zinc/40/53/64/659405364.db2.gz VGFNRMSASCXXSB-ZDUSSCGKSA-N 2 1 302.378 0.708 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999767456 665681546 /nfs/dbraw/zinc/68/15/46/665681546.db2.gz YBRZQEAKTBHUBQ-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498914 659629081 /nfs/dbraw/zinc/62/90/81/659629081.db2.gz QIMYGYNQSWIXFF-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001027498914 659629083 /nfs/dbraw/zinc/62/90/83/659629083.db2.gz QIMYGYNQSWIXFF-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001027498914 659629084 /nfs/dbraw/zinc/62/90/84/659629084.db2.gz QIMYGYNQSWIXFF-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP CC#CC[N@@H+]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982165518 661300247 /nfs/dbraw/zinc/30/02/47/661300247.db2.gz KIBCOTUEQAGYPZ-UHFFFAOYSA-N 2 1 317.437 0.616 20 30 DCEDMP CC#CC[N@H+]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982165518 661300251 /nfs/dbraw/zinc/30/02/51/661300251.db2.gz KIBCOTUEQAGYPZ-UHFFFAOYSA-N 2 1 317.437 0.616 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547255 661605030 /nfs/dbraw/zinc/60/50/30/661605030.db2.gz PIVADRVBBBDWDH-OAHLLOKOSA-N 2 1 317.437 0.520 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028683678 661757614 /nfs/dbraw/zinc/75/76/14/661757614.db2.gz RILCSASXGARKMP-AWEZNQCLSA-N 2 1 309.373 0.952 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698175 661764658 /nfs/dbraw/zinc/76/46/58/661764658.db2.gz BRRSNNHESLTZJW-VUGNNNGISA-N 2 1 319.449 0.864 20 30 DCEDMP C[N@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CC1 ZINC000262001090 661952464 /nfs/dbraw/zinc/95/24/64/661952464.db2.gz PTRQDWXLPRPJBC-UHFFFAOYSA-N 2 1 303.414 0.008 20 30 DCEDMP C[N@@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CC1 ZINC000262001090 661952467 /nfs/dbraw/zinc/95/24/67/661952467.db2.gz PTRQDWXLPRPJBC-UHFFFAOYSA-N 2 1 303.414 0.008 20 30 DCEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000985469857 662463315 /nfs/dbraw/zinc/46/33/15/662463315.db2.gz IHPNQLPMKBVBQV-INIZCTEOSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000985469857 662463316 /nfs/dbraw/zinc/46/33/16/662463316.db2.gz IHPNQLPMKBVBQV-INIZCTEOSA-N 2 1 319.453 0.922 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000985543756 662476310 /nfs/dbraw/zinc/47/63/10/662476310.db2.gz RMMDWGWQWGGYDG-HQVVEAJESA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000985543756 662476311 /nfs/dbraw/zinc/47/63/11/662476311.db2.gz RMMDWGWQWGGYDG-HQVVEAJESA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000985543756 662476313 /nfs/dbraw/zinc/47/63/13/662476313.db2.gz RMMDWGWQWGGYDG-HQVVEAJESA-N 2 1 317.433 0.406 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900674998 663270362 /nfs/dbraw/zinc/27/03/62/663270362.db2.gz NRRMMSMGQKQHLM-HNNXBMFYSA-N 2 1 308.470 0.779 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900674998 663270363 /nfs/dbraw/zinc/27/03/63/663270363.db2.gz NRRMMSMGQKQHLM-HNNXBMFYSA-N 3 1 308.470 0.779 20 30 DCEDMP CCO[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C[NH+](C)C ZINC000905580553 663566720 /nfs/dbraw/zinc/56/67/20/663566720.db2.gz OLAWZHWYLZFRAZ-HUUCEWRRSA-N 2 1 313.442 0.614 20 30 DCEDMP CCO[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C[NH+](C)C ZINC000905580556 663566877 /nfs/dbraw/zinc/56/68/77/663566877.db2.gz OLAWZHWYLZFRAZ-LSDHHAIUSA-N 2 1 313.442 0.614 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941412551 665993273 /nfs/dbraw/zinc/99/32/73/665993273.db2.gz KKNVZPGQMBTUGL-NVXWUHKLSA-N 2 1 320.481 0.731 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941412551 665993274 /nfs/dbraw/zinc/99/32/74/665993274.db2.gz KKNVZPGQMBTUGL-NVXWUHKLSA-N 2 1 320.481 0.731 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCO)CC3)CC1 ZINC000992513162 664730570 /nfs/dbraw/zinc/73/05/70/664730570.db2.gz VPXBUQMQMBUEKV-WMZOPIPTSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000921434262 665304185 /nfs/dbraw/zinc/30/41/85/665304185.db2.gz FKQPKMATPALBKU-CZUORRHYSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941437137 665998461 /nfs/dbraw/zinc/99/84/61/665998461.db2.gz SWTTYDATGRYBLF-KRWDZBQOSA-N 2 1 318.465 0.178 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941566312 666023689 /nfs/dbraw/zinc/02/36/89/666023689.db2.gz BFBANEGZRBDLSE-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003497370 666318976 /nfs/dbraw/zinc/31/89/76/666318976.db2.gz UQXGRKRIDHOSHS-MRXNPFEDSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003497370 666318978 /nfs/dbraw/zinc/31/89/78/666318978.db2.gz UQXGRKRIDHOSHS-MRXNPFEDSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278160 666658932 /nfs/dbraw/zinc/65/89/32/666658932.db2.gz MUUOTPWQQQLONS-KRIMKBQASA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278160 666658935 /nfs/dbraw/zinc/65/89/35/666658935.db2.gz MUUOTPWQQQLONS-KRIMKBQASA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278160 666658937 /nfs/dbraw/zinc/65/89/37/666658937.db2.gz MUUOTPWQQQLONS-KRIMKBQASA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278160 666658939 /nfs/dbraw/zinc/65/89/39/666658939.db2.gz MUUOTPWQQQLONS-KRIMKBQASA-N 2 1 303.406 0.016 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033280063 666659892 /nfs/dbraw/zinc/65/98/92/666659892.db2.gz ZVFACSLYXBREGT-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033280063 666659894 /nfs/dbraw/zinc/65/98/94/666659894.db2.gz ZVFACSLYXBREGT-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033280063 666659896 /nfs/dbraw/zinc/65/98/96/666659896.db2.gz ZVFACSLYXBREGT-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034275188 666972738 /nfs/dbraw/zinc/97/27/38/666972738.db2.gz XMKHDCVUMXAJID-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034275188 666972740 /nfs/dbraw/zinc/97/27/40/666972740.db2.gz XMKHDCVUMXAJID-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034275188 666972745 /nfs/dbraw/zinc/97/27/45/666972745.db2.gz XMKHDCVUMXAJID-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034275188 666972748 /nfs/dbraw/zinc/97/27/48/666972748.db2.gz XMKHDCVUMXAJID-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN(C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000921555549 667225586 /nfs/dbraw/zinc/22/55/86/667225586.db2.gz DKCWQOVXVMHRFH-HOCLYGCPSA-N 2 1 322.453 0.445 20 30 DCEDMP C#CCN(C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000921555549 667225587 /nfs/dbraw/zinc/22/55/87/667225587.db2.gz DKCWQOVXVMHRFH-HOCLYGCPSA-N 2 1 322.453 0.445 20 30 DCEDMP C#CCN(C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000921555547 667225781 /nfs/dbraw/zinc/22/57/81/667225781.db2.gz DKCWQOVXVMHRFH-GOEBONIOSA-N 2 1 322.453 0.445 20 30 DCEDMP C#CCN(C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000921555547 667225784 /nfs/dbraw/zinc/22/57/84/667225784.db2.gz DKCWQOVXVMHRFH-GOEBONIOSA-N 2 1 322.453 0.445 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035394083 667322152 /nfs/dbraw/zinc/32/21/52/667322152.db2.gz LRUJBIAAGMTPLC-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035394083 667322155 /nfs/dbraw/zinc/32/21/55/667322155.db2.gz LRUJBIAAGMTPLC-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035394083 667322158 /nfs/dbraw/zinc/32/21/58/667322158.db2.gz LRUJBIAAGMTPLC-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035394083 667322161 /nfs/dbraw/zinc/32/21/61/667322161.db2.gz LRUJBIAAGMTPLC-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CC2 ZINC001035854032 667414699 /nfs/dbraw/zinc/41/46/99/667414699.db2.gz VNNJANFDWQYKBP-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035854032 667414700 /nfs/dbraw/zinc/41/47/00/667414700.db2.gz VNNJANFDWQYKBP-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C[C@H]1CCC[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884188217 667493336 /nfs/dbraw/zinc/49/33/36/667493336.db2.gz BSLXHSTXBRTDRS-UJEKJILKSA-N 2 1 304.438 0.974 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC[NH+]1CCSCC1)C2 ZINC000884192216 667494404 /nfs/dbraw/zinc/49/44/04/667494404.db2.gz ZLXDBYWNTZLFKZ-JVWICGRDSA-N 2 1 308.451 0.291 20 30 DCEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923515800 667551936 /nfs/dbraw/zinc/55/19/36/667551936.db2.gz MLIBESWQOVIGPR-XHSDSOJGSA-N 2 1 301.390 0.839 20 30 DCEDMP C#C[C@H]1COCCN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000838475408 667693330 /nfs/dbraw/zinc/69/33/30/667693330.db2.gz CXSBOFPZXNQGGB-GJZGRUSLSA-N 2 1 320.437 0.199 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)[C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000886580039 667778848 /nfs/dbraw/zinc/77/88/48/667778848.db2.gz SNJRLVXGHUPPEE-HNNXBMFYSA-N 2 1 309.479 0.980 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000747568414 667907118 /nfs/dbraw/zinc/90/71/18/667907118.db2.gz VDKQGORVTHSFPL-LTIDMASMSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000747568414 667907120 /nfs/dbraw/zinc/90/71/20/667907120.db2.gz VDKQGORVTHSFPL-LTIDMASMSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000890364091 668119520 /nfs/dbraw/zinc/11/95/20/668119520.db2.gz WEHJLSXDSHOFLC-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000890364091 668119522 /nfs/dbraw/zinc/11/95/22/668119522.db2.gz WEHJLSXDSHOFLC-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000890364091 668119524 /nfs/dbraw/zinc/11/95/24/668119524.db2.gz WEHJLSXDSHOFLC-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000890364091 668119526 /nfs/dbraw/zinc/11/95/26/668119526.db2.gz WEHJLSXDSHOFLC-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000890362304 668119543 /nfs/dbraw/zinc/11/95/43/668119543.db2.gz BMHNZCYJMQUOAS-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000890362304 668119546 /nfs/dbraw/zinc/11/95/46/668119546.db2.gz BMHNZCYJMQUOAS-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000890362304 668119548 /nfs/dbraw/zinc/11/95/48/668119548.db2.gz BMHNZCYJMQUOAS-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000890362304 668119551 /nfs/dbraw/zinc/11/95/51/668119551.db2.gz BMHNZCYJMQUOAS-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000876781991 668510356 /nfs/dbraw/zinc/51/03/56/668510356.db2.gz KTPMEEWSEDXMSA-TZMCWYRMSA-N 2 1 316.877 0.846 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000876781888 668510583 /nfs/dbraw/zinc/51/05/83/668510583.db2.gz KTPMEEWSEDXMSA-GXTWGEPZSA-N 2 1 316.877 0.846 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842775 670214253 /nfs/dbraw/zinc/21/42/53/670214253.db2.gz UVJJIIQWRTUUMT-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842775 670214256 /nfs/dbraw/zinc/21/42/56/670214256.db2.gz UVJJIIQWRTUUMT-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCO)C2)CC1 ZINC001036903964 670270536 /nfs/dbraw/zinc/27/05/36/670270536.db2.gz KCDVZVQIDBJTFA-IAGOWNOFSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000854093230 670523863 /nfs/dbraw/zinc/52/38/63/670523863.db2.gz ZKYUCMUIUAZDNT-MRXNPFEDSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000854093230 670523867 /nfs/dbraw/zinc/52/38/67/670523867.db2.gz ZKYUCMUIUAZDNT-MRXNPFEDSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000854093230 670523873 /nfs/dbraw/zinc/52/38/73/670523873.db2.gz ZKYUCMUIUAZDNT-MRXNPFEDSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000820196686 671177661 /nfs/dbraw/zinc/17/76/61/671177661.db2.gz HHIQLIKNUIDJIT-HOTGVXAUSA-N 2 1 305.422 0.454 20 30 DCEDMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)C1 ZINC000852873448 671182657 /nfs/dbraw/zinc/18/26/57/671182657.db2.gz VPSXOKQEZIZOLA-QGZVFWFLSA-N 2 1 318.465 0.228 20 30 DCEDMP CCC[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000852893794 671188670 /nfs/dbraw/zinc/18/86/70/671188670.db2.gz KKTXZEUUCHLNBA-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000836284908 671822167 /nfs/dbraw/zinc/82/21/67/671822167.db2.gz WMBHCYUOXQBYOG-GJZGRUSLSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000836284908 671822170 /nfs/dbraw/zinc/82/21/70/671822170.db2.gz WMBHCYUOXQBYOG-GJZGRUSLSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001020250956 693745649 /nfs/dbraw/zinc/74/56/49/693745649.db2.gz YAURDAQIEBCIRU-JYJNAYRXSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001020250956 693745652 /nfs/dbraw/zinc/74/56/52/693745652.db2.gz YAURDAQIEBCIRU-JYJNAYRXSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001020250876 693745757 /nfs/dbraw/zinc/74/57/57/693745757.db2.gz VKSYAFOYMVOZBH-DZKIICNBSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001020250876 693745759 /nfs/dbraw/zinc/74/57/59/693745759.db2.gz VKSYAFOYMVOZBH-DZKIICNBSA-N 2 1 316.405 0.817 20 30 DCEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Cn1cccn1 ZINC000303878980 685208307 /nfs/dbraw/zinc/20/83/07/685208307.db2.gz JKCNTFFXBYSPSU-CQSZACIVSA-N 2 1 308.430 0.146 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CC ZINC001037940963 693971899 /nfs/dbraw/zinc/97/18/99/693971899.db2.gz NWOVNBUUVZKLEB-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958174022 687404776 /nfs/dbraw/zinc/40/47/76/687404776.db2.gz BKAJXUFPYVNSRG-HZPDHXFCSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222676 687454134 /nfs/dbraw/zinc/45/41/34/687454134.db2.gz FWJSUQUHWBXWIY-GOEBONIOSA-N 2 1 312.373 0.380 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC000958481768 687695429 /nfs/dbraw/zinc/69/54/29/687695429.db2.gz RYDWRMHHOWNMMF-IAGOWNOFSA-N 2 1 315.417 0.404 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729255 687882002 /nfs/dbraw/zinc/88/20/02/687882002.db2.gz TUKUTQDVDMGNMG-RDJZCZTQSA-N 2 1 315.417 0.404 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961353757 688599387 /nfs/dbraw/zinc/59/93/87/688599387.db2.gz CFVOEFUGHJVZMH-LTIDMASMSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000961579535 688660626 /nfs/dbraw/zinc/66/06/26/688660626.db2.gz FIIHMBCGELUTAZ-XUWVNRHRSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000961579535 688660627 /nfs/dbraw/zinc/66/06/27/688660627.db2.gz FIIHMBCGELUTAZ-XUWVNRHRSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961579535 688660630 /nfs/dbraw/zinc/66/06/30/688660630.db2.gz FIIHMBCGELUTAZ-XUWVNRHRSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961579535 688660633 /nfs/dbraw/zinc/66/06/33/688660633.db2.gz FIIHMBCGELUTAZ-XUWVNRHRSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000962248399 688859855 /nfs/dbraw/zinc/85/98/55/688859855.db2.gz YLOVVOGAIKGUEU-FVQHAEBGSA-N 2 1 301.434 0.788 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCC=C)C[C@H]32)CC1 ZINC000962774011 688977553 /nfs/dbraw/zinc/97/75/53/688977553.db2.gz LRVBOSHXQJLVJG-FVQHAEBGSA-N 2 1 301.434 0.954 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000968909165 690421639 /nfs/dbraw/zinc/42/16/39/690421639.db2.gz BYOUARTVXANXRT-CABCVRRESA-N 2 1 305.426 0.580 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](C)O)C2)CC1 ZINC001009624977 691076909 /nfs/dbraw/zinc/07/69/09/691076909.db2.gz CBBZCRMFLGBGBU-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015325204 692264082 /nfs/dbraw/zinc/26/40/82/692264082.db2.gz RECNPPILDAQFMV-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015325204 692264087 /nfs/dbraw/zinc/26/40/87/692264087.db2.gz RECNPPILDAQFMV-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015325204 692264093 /nfs/dbraw/zinc/26/40/93/692264093.db2.gz RECNPPILDAQFMV-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015325204 692264100 /nfs/dbraw/zinc/26/41/00/692264100.db2.gz RECNPPILDAQFMV-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015324176 692264376 /nfs/dbraw/zinc/26/43/76/692264376.db2.gz MQDVYNYCWACMQN-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015324176 692264379 /nfs/dbraw/zinc/26/43/79/692264379.db2.gz MQDVYNYCWACMQN-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015324176 692264382 /nfs/dbraw/zinc/26/43/82/692264382.db2.gz MQDVYNYCWACMQN-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016553909 692719074 /nfs/dbraw/zinc/71/90/74/692719074.db2.gz VIGBHJNYCPGIQS-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553909 692719076 /nfs/dbraw/zinc/71/90/76/692719076.db2.gz VIGBHJNYCPGIQS-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040653406 694587446 /nfs/dbraw/zinc/58/74/46/694587446.db2.gz TWROBTNGOMBTEA-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040653406 694587448 /nfs/dbraw/zinc/58/74/48/694587448.db2.gz TWROBTNGOMBTEA-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001018985952 693307587 /nfs/dbraw/zinc/30/75/87/693307587.db2.gz NNEPFNNNIMELKG-HOTGVXAUSA-N 2 1 315.421 0.208 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001018985952 693307591 /nfs/dbraw/zinc/30/75/91/693307591.db2.gz NNEPFNNNIMELKG-HOTGVXAUSA-N 2 1 315.421 0.208 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cncs2)C1 ZINC001018985940 693307715 /nfs/dbraw/zinc/30/77/15/693307715.db2.gz MXAOWXIFYWDMIP-ZFWWWQNUSA-N 2 1 318.446 0.931 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cncs2)C1 ZINC001018985940 693307720 /nfs/dbraw/zinc/30/77/20/693307720.db2.gz MXAOWXIFYWDMIP-ZFWWWQNUSA-N 2 1 318.446 0.931 20 30 DCEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760648 694661129 /nfs/dbraw/zinc/66/11/29/694661129.db2.gz JHDMEPUDKOZFIB-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760648 694661130 /nfs/dbraw/zinc/66/11/30/694661130.db2.gz JHDMEPUDKOZFIB-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760648 694661132 /nfs/dbraw/zinc/66/11/32/694661132.db2.gz JHDMEPUDKOZFIB-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)OC)C2 ZINC001072822709 694670587 /nfs/dbraw/zinc/67/05/87/694670587.db2.gz UMGKLWDQBFSXNI-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)OC)C2 ZINC001072822709 694670588 /nfs/dbraw/zinc/67/05/88/694670588.db2.gz UMGKLWDQBFSXNI-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)OC)C2 ZINC001072822709 694670589 /nfs/dbraw/zinc/67/05/89/694670589.db2.gz UMGKLWDQBFSXNI-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)OC)C2 ZINC001072822709 694670590 /nfs/dbraw/zinc/67/05/90/694670590.db2.gz UMGKLWDQBFSXNI-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599808 694749604 /nfs/dbraw/zinc/74/96/04/694749604.db2.gz OVPQUCOBTILQTF-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599808 694749605 /nfs/dbraw/zinc/74/96/05/694749605.db2.gz OVPQUCOBTILQTF-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599808 694749606 /nfs/dbraw/zinc/74/96/06/694749606.db2.gz OVPQUCOBTILQTF-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599808 694749607 /nfs/dbraw/zinc/74/96/07/694749607.db2.gz OVPQUCOBTILQTF-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605449 694750486 /nfs/dbraw/zinc/75/04/86/694750486.db2.gz KZNMNVAMQWAFOU-CVEARBPZSA-N 2 1 307.438 0.721 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861971 694793517 /nfs/dbraw/zinc/79/35/17/694793517.db2.gz KTTPHUXYPVYBIN-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001571460401 1162769128 /nfs/dbraw/zinc/76/91/28/1162769128.db2.gz VIYVUVDVSQYNKC-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001571467009 1162772012 /nfs/dbraw/zinc/77/20/12/1162772012.db2.gz DSGXTOAZAZUDAG-HIFRSBDPSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)C(C)(C)C1 ZINC001571558961 1162811543 /nfs/dbraw/zinc/81/15/43/1162811543.db2.gz UWBCUFDFUPVPJV-LSDHHAIUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)C(C)(C)C1 ZINC001571558961 1162811549 /nfs/dbraw/zinc/81/15/49/1162811549.db2.gz UWBCUFDFUPVPJV-LSDHHAIUSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001671297563 1157441981 /nfs/dbraw/zinc/44/19/81/1157441981.db2.gz CUSZRGYVVACMKX-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1=O ZINC001267712172 1157931699 /nfs/dbraw/zinc/93/16/99/1157931699.db2.gz NDPDQSPFMDIXOF-KKUMJFAQSA-N 2 1 320.437 0.010 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC#CCOC ZINC001691496108 1157995301 /nfs/dbraw/zinc/99/53/01/1157995301.db2.gz KVYVLLXDYOFVOB-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCCCO2)CC1 ZINC001670797220 1158090117 /nfs/dbraw/zinc/09/01/17/1158090117.db2.gz BMVICUSABKQNIN-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCCCO2)CC1 ZINC001670797220 1158090124 /nfs/dbraw/zinc/09/01/24/1158090124.db2.gz BMVICUSABKQNIN-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001691669864 1158696208 /nfs/dbraw/zinc/69/62/08/1158696208.db2.gz BZKSOKUGZGAGEP-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001566682979 1160128284 /nfs/dbraw/zinc/12/82/84/1160128284.db2.gz UDZWHBFMASIFEH-LSDHHAIUSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001566682979 1160128291 /nfs/dbraw/zinc/12/82/91/1160128291.db2.gz UDZWHBFMASIFEH-LSDHHAIUSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001566682979 1160128296 /nfs/dbraw/zinc/12/82/96/1160128296.db2.gz UDZWHBFMASIFEH-LSDHHAIUSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001566682979 1160128298 /nfs/dbraw/zinc/12/82/98/1160128298.db2.gz UDZWHBFMASIFEH-LSDHHAIUSA-N 2 1 322.453 0.304 20 30 DCEDMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001566877910 1160174548 /nfs/dbraw/zinc/17/45/48/1160174548.db2.gz IPKRTQZYUDNJAO-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001567215514 1160275169 /nfs/dbraw/zinc/27/51/69/1160275169.db2.gz ZSWNFUMCLMNUON-CVEARBPZSA-N 2 1 309.454 0.993 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001567884290 1160515105 /nfs/dbraw/zinc/51/51/05/1160515105.db2.gz AGCIQKZOZVUULH-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001567884290 1160515109 /nfs/dbraw/zinc/51/51/09/1160515109.db2.gz AGCIQKZOZVUULH-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CCN1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567921913 1160535863 /nfs/dbraw/zinc/53/58/63/1160535863.db2.gz IVRREIBKQMUPIU-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567921913 1160535869 /nfs/dbraw/zinc/53/58/69/1160535869.db2.gz IVRREIBKQMUPIU-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567921913 1160535874 /nfs/dbraw/zinc/53/58/74/1160535874.db2.gz IVRREIBKQMUPIU-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567921913 1160535887 /nfs/dbraw/zinc/53/58/87/1160535887.db2.gz IVRREIBKQMUPIU-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001569013108 1160918672 /nfs/dbraw/zinc/91/86/72/1160918672.db2.gz BXRXKIPUXIAKKR-ILXRZTDVSA-N 2 1 322.453 0.352 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001569422926 1161057053 /nfs/dbraw/zinc/05/70/53/1161057053.db2.gz AWINPIKLIJOPDV-UHFFFAOYSA-N 2 1 307.438 0.751 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001569526747 1161087420 /nfs/dbraw/zinc/08/74/20/1161087420.db2.gz LVBWGWRNCXVBMO-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569749237 1161222892 /nfs/dbraw/zinc/22/28/92/1161222892.db2.gz RFLMGDRPOSGUDS-FUHWJXTLSA-N 2 1 321.465 0.847 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001569757175 1161227877 /nfs/dbraw/zinc/22/78/77/1161227877.db2.gz CNQSQTWRLCZIFR-YOEHRIQHSA-N 2 1 318.421 0.493 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001569757175 1161227881 /nfs/dbraw/zinc/22/78/81/1161227881.db2.gz CNQSQTWRLCZIFR-YOEHRIQHSA-N 2 1 318.421 0.493 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001570142620 1161437384 /nfs/dbraw/zinc/43/73/84/1161437384.db2.gz QLPRNCZJVUBACJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001656784854 1173884579 /nfs/dbraw/zinc/88/45/79/1173884579.db2.gz ZYQJDXJDCOUSDK-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001656784854 1173884585 /nfs/dbraw/zinc/88/45/85/1173884585.db2.gz ZYQJDXJDCOUSDK-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001660764408 1174047534 /nfs/dbraw/zinc/04/75/34/1174047534.db2.gz ACVVUXBDXDCLQA-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001660764408 1174047537 /nfs/dbraw/zinc/04/75/37/1174047537.db2.gz ACVVUXBDXDCLQA-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001661441392 1174126091 /nfs/dbraw/zinc/12/60/91/1174126091.db2.gz SZVIQPBTYNSWPZ-JOCQHMNTSA-N 2 1 320.393 0.236 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001662872420 1174248996 /nfs/dbraw/zinc/24/89/96/1174248996.db2.gz MQDHGGYZBAGHRZ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001662872420 1174249001 /nfs/dbraw/zinc/24/90/01/1174249001.db2.gz MQDHGGYZBAGHRZ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001662872420 1174249007 /nfs/dbraw/zinc/24/90/07/1174249007.db2.gz MQDHGGYZBAGHRZ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001662919407 1174252352 /nfs/dbraw/zinc/25/23/52/1174252352.db2.gz UOAVZKKDUCBQBG-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001663523724 1174314462 /nfs/dbraw/zinc/31/44/62/1174314462.db2.gz OBUJHVOAZKKISJ-OAHLLOKOSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001663523724 1174314471 /nfs/dbraw/zinc/31/44/71/1174314471.db2.gz OBUJHVOAZKKISJ-OAHLLOKOSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCOCC=C)C1 ZINC001663592314 1174327809 /nfs/dbraw/zinc/32/78/09/1174327809.db2.gz FRIFUKBVUNABBM-SJORKVTESA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCOCC=C)C1 ZINC001663592314 1174327814 /nfs/dbraw/zinc/32/78/14/1174327814.db2.gz FRIFUKBVUNABBM-SJORKVTESA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCOCC=C)C1 ZINC001663592314 1174327816 /nfs/dbraw/zinc/32/78/16/1174327816.db2.gz FRIFUKBVUNABBM-SJORKVTESA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCOCC=C)C1 ZINC001663592314 1174327820 /nfs/dbraw/zinc/32/78/20/1174327820.db2.gz FRIFUKBVUNABBM-SJORKVTESA-N 2 1 319.449 0.725 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665059190 1174477922 /nfs/dbraw/zinc/47/79/22/1174477922.db2.gz INBZEFQPKMCOSK-QLFBSQMISA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665059190 1174477924 /nfs/dbraw/zinc/47/79/24/1174477924.db2.gz INBZEFQPKMCOSK-QLFBSQMISA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCOC)CC1 ZINC001666219174 1174593220 /nfs/dbraw/zinc/59/32/20/1174593220.db2.gz MYRSUAQFGCNPNI-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCOC)CC1 ZINC001666219174 1174593227 /nfs/dbraw/zinc/59/32/27/1174593227.db2.gz MYRSUAQFGCNPNI-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001672538510 1175123495 /nfs/dbraw/zinc/12/34/95/1175123495.db2.gz RRVQSIBBOMAUPI-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001674001553 1175244760 /nfs/dbraw/zinc/24/47/60/1175244760.db2.gz HUJIHQPPHQHVNZ-UHFFFAOYSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001674486034 1175278381 /nfs/dbraw/zinc/27/83/81/1175278381.db2.gz BXEKNYVZBOYDIA-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001674486034 1175278385 /nfs/dbraw/zinc/27/83/85/1175278385.db2.gz BXEKNYVZBOYDIA-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[NH2+]CC1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001674595595 1175285432 /nfs/dbraw/zinc/28/54/32/1175285432.db2.gz RZDLWUGOXKYQQG-UHFFFAOYSA-N 2 1 309.373 0.999 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001675708804 1175387106 /nfs/dbraw/zinc/38/71/06/1175387106.db2.gz ZVJNTIXGOYHRTH-CVEARBPZSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001676819935 1175492868 /nfs/dbraw/zinc/49/28/68/1175492868.db2.gz DYUJHRLZDCFOQM-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001676819935 1175492869 /nfs/dbraw/zinc/49/28/69/1175492869.db2.gz DYUJHRLZDCFOQM-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001685482728 1176034260 /nfs/dbraw/zinc/03/42/60/1176034260.db2.gz BLVAUCKNOLBWDS-OAHLLOKOSA-N 2 1 308.426 0.104 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(CC)CCO1 ZINC001688067643 1176348777 /nfs/dbraw/zinc/34/87/77/1176348777.db2.gz CEEJVUTZROTVEJ-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001690482670 1177252419 /nfs/dbraw/zinc/25/24/19/1177252419.db2.gz URHNAESEZYHGNP-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001692150923 1177427535 /nfs/dbraw/zinc/42/75/35/1177427535.db2.gz MVLUTRNVJFZSLR-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001692150923 1177427544 /nfs/dbraw/zinc/42/75/44/1177427544.db2.gz MVLUTRNVJFZSLR-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001699650748 1178239108 /nfs/dbraw/zinc/23/91/08/1178239108.db2.gz FCRMAPZQMHQRKE-MGPQQGTHSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCOCC2)CC1 ZINC001699653961 1178240738 /nfs/dbraw/zinc/24/07/38/1178240738.db2.gz WYTMQFWAUFLQGM-INIZCTEOSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCOCC2)CC1 ZINC001699653961 1178240743 /nfs/dbraw/zinc/24/07/43/1178240743.db2.gz WYTMQFWAUFLQGM-INIZCTEOSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001699690363 1178249768 /nfs/dbraw/zinc/24/97/68/1178249768.db2.gz WWLVCXPJTWJFNU-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001699690363 1178249772 /nfs/dbraw/zinc/24/97/72/1178249772.db2.gz WWLVCXPJTWJFNU-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001699690363 1178249778 /nfs/dbraw/zinc/24/97/78/1178249778.db2.gz WWLVCXPJTWJFNU-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001699906429 1178360583 /nfs/dbraw/zinc/36/05/83/1178360583.db2.gz KGXKDGITCSCZTC-NVXWUHKLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001699906429 1178360591 /nfs/dbraw/zinc/36/05/91/1178360591.db2.gz KGXKDGITCSCZTC-NVXWUHKLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001699906429 1178360600 /nfs/dbraw/zinc/36/06/00/1178360600.db2.gz KGXKDGITCSCZTC-NVXWUHKLSA-N 2 1 307.438 0.436 20 30 DCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001700005362 1178424664 /nfs/dbraw/zinc/42/46/64/1178424664.db2.gz KNGQTWJTKWWEKT-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001700005362 1178424667 /nfs/dbraw/zinc/42/46/67/1178424667.db2.gz KNGQTWJTKWWEKT-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001700232590 1178542923 /nfs/dbraw/zinc/54/29/23/1178542923.db2.gz IDSYYGIPECDGSO-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700358582 1178595220 /nfs/dbraw/zinc/59/52/20/1178595220.db2.gz YFRQBXPYHLWXDH-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001700848369 1178776696 /nfs/dbraw/zinc/77/66/96/1178776696.db2.gz DSTNKLUGSGKOMX-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC001700925525 1178805206 /nfs/dbraw/zinc/80/52/06/1178805206.db2.gz CDMUHQJBNORROD-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC001700925525 1178805218 /nfs/dbraw/zinc/80/52/18/1178805218.db2.gz CDMUHQJBNORROD-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001700960195 1178835393 /nfs/dbraw/zinc/83/53/93/1178835393.db2.gz GBUBPXFSOHGQJU-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001700960195 1178835370 /nfs/dbraw/zinc/83/53/70/1178835370.db2.gz GBUBPXFSOHGQJU-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001700960195 1178835377 /nfs/dbraw/zinc/83/53/77/1178835377.db2.gz GBUBPXFSOHGQJU-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001700960195 1178835386 /nfs/dbraw/zinc/83/53/86/1178835386.db2.gz GBUBPXFSOHGQJU-GJZGRUSLSA-N 2 1 313.442 0.034 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001713456148 1180836439 /nfs/dbraw/zinc/83/64/39/1180836439.db2.gz FEQPQNLVUDCOJN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001713456148 1180836451 /nfs/dbraw/zinc/83/64/51/1180836451.db2.gz FEQPQNLVUDCOJN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001713456148 1180836459 /nfs/dbraw/zinc/83/64/59/1180836459.db2.gz FEQPQNLVUDCOJN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001713456148 1180836474 /nfs/dbraw/zinc/83/64/74/1180836474.db2.gz FEQPQNLVUDCOJN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC#CC)C1 ZINC001713731417 1181034579 /nfs/dbraw/zinc/03/45/79/1181034579.db2.gz KSYIHPOLFBEZCU-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC#CC)C1 ZINC001713731417 1181034584 /nfs/dbraw/zinc/03/45/84/1181034584.db2.gz KSYIHPOLFBEZCU-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC#CC)C1 ZINC001713731417 1181034590 /nfs/dbraw/zinc/03/45/90/1181034590.db2.gz KSYIHPOLFBEZCU-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC#CC)C1 ZINC001713731417 1181034592 /nfs/dbraw/zinc/03/45/92/1181034592.db2.gz KSYIHPOLFBEZCU-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001714001673 1181195836 /nfs/dbraw/zinc/19/58/36/1181195836.db2.gz ALEVTXNCLHIXCT-XQLPTFJDSA-N 2 1 322.453 0.398 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)NC(C)C ZINC001714083237 1181238215 /nfs/dbraw/zinc/23/82/15/1181238215.db2.gz GCGOLKGMICAULV-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)NC(C)C ZINC001714083237 1181238218 /nfs/dbraw/zinc/23/82/18/1181238218.db2.gz GCGOLKGMICAULV-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714093206 1181240104 /nfs/dbraw/zinc/24/01/04/1181240104.db2.gz CMHLFNSGBLXORH-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001714634332 1181453430 /nfs/dbraw/zinc/45/34/30/1181453430.db2.gz LYSAVRDRELSWHQ-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001714634332 1181453435 /nfs/dbraw/zinc/45/34/35/1181453435.db2.gz LYSAVRDRELSWHQ-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714634332 1181453439 /nfs/dbraw/zinc/45/34/39/1181453439.db2.gz LYSAVRDRELSWHQ-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001715008946 1181644126 /nfs/dbraw/zinc/64/41/26/1181644126.db2.gz GDYGXXOWRKZAMV-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001716008334 1182144089 /nfs/dbraw/zinc/14/40/89/1182144089.db2.gz FVCAAMXBQOWPQU-UONOGXRCSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001716506276 1182419801 /nfs/dbraw/zinc/41/98/01/1182419801.db2.gz YWVKLTUBCCMDGB-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716930708 1182586858 /nfs/dbraw/zinc/58/68/58/1182586858.db2.gz UZMVWGJHQKUIAR-CRAIPNDOSA-N 2 1 321.465 0.990 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001717004491 1182617486 /nfs/dbraw/zinc/61/74/86/1182617486.db2.gz NPLBQCNWWWFUCJ-BRWVUGGUSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001717004491 1182617490 /nfs/dbraw/zinc/61/74/90/1182617490.db2.gz NPLBQCNWWWFUCJ-BRWVUGGUSA-N 2 1 321.465 0.853 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001717197641 1182726887 /nfs/dbraw/zinc/72/68/87/1182726887.db2.gz BQVSEGLJJKOSPC-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCOCC1 ZINC001717262254 1182755894 /nfs/dbraw/zinc/75/58/94/1182755894.db2.gz BITREAWCGOAITM-LSDHHAIUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001717324117 1182782174 /nfs/dbraw/zinc/78/21/74/1182782174.db2.gz ZPUOJUKTULEKGV-HOTGVXAUSA-N 2 1 319.449 0.580 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001717325260 1182782283 /nfs/dbraw/zinc/78/22/83/1182782283.db2.gz UXDAHWWESFKGGV-GASCZTMLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001717350685 1182795609 /nfs/dbraw/zinc/79/56/09/1182795609.db2.gz NJGBCPHNUAEZLE-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001717924300 1183064131 /nfs/dbraw/zinc/06/41/31/1183064131.db2.gz GWXFSCODHRDSMN-CVEARBPZSA-N 2 1 309.454 0.541 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001717939739 1183078314 /nfs/dbraw/zinc/07/83/14/1183078314.db2.gz NGPLCZKXSXETFQ-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CCC(C)(C)C ZINC001724669492 1184508150 /nfs/dbraw/zinc/50/81/50/1184508150.db2.gz SKBIAPBUZXMCCE-INIZCTEOSA-N 2 1 323.481 0.931 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CCC(C)(C)C ZINC001724669492 1184508154 /nfs/dbraw/zinc/50/81/54/1184508154.db2.gz SKBIAPBUZXMCCE-INIZCTEOSA-N 2 1 323.481 0.931 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001724842841 1184587678 /nfs/dbraw/zinc/58/76/78/1184587678.db2.gz JITIJFRUQJGKEA-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724842841 1184587683 /nfs/dbraw/zinc/58/76/83/1184587683.db2.gz JITIJFRUQJGKEA-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724842841 1184587687 /nfs/dbraw/zinc/58/76/87/1184587687.db2.gz JITIJFRUQJGKEA-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001725004912 1184653663 /nfs/dbraw/zinc/65/36/63/1184653663.db2.gz ZTNBBFCVFXCSKJ-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725179847 1184711338 /nfs/dbraw/zinc/71/13/38/1184711338.db2.gz STYGVOXCVBNXNI-JYJNAYRXSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725179847 1184711344 /nfs/dbraw/zinc/71/13/44/1184711344.db2.gz STYGVOXCVBNXNI-JYJNAYRXSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001725179847 1184711350 /nfs/dbraw/zinc/71/13/50/1184711350.db2.gz STYGVOXCVBNXNI-JYJNAYRXSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001725357525 1184784337 /nfs/dbraw/zinc/78/43/37/1184784337.db2.gz SOTXBIZWBVALRV-KBUPBQIOSA-N 2 1 322.453 0.113 20 30 DCEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001725467454 1184836705 /nfs/dbraw/zinc/83/67/05/1184836705.db2.gz IEFLZIBRLOZGQQ-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001725704777 1184955048 /nfs/dbraw/zinc/95/50/48/1184955048.db2.gz KKFIQRHVJCDQPV-HIFRSBDPSA-N 2 1 306.410 0.349 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001725720017 1184969167 /nfs/dbraw/zinc/96/91/67/1184969167.db2.gz TXFWBBZGIKHOMV-INIZCTEOSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(C)C)CC1 ZINC001725726052 1184977013 /nfs/dbraw/zinc/97/70/13/1184977013.db2.gz YRJHMBFAZBGIDR-QGZVFWFLSA-N 2 1 323.481 0.739 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001725726418 1184977128 /nfs/dbraw/zinc/97/71/28/1184977128.db2.gz ZXCNAQQJFFWXAP-IAGOWNOFSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001731760412 1185472966 /nfs/dbraw/zinc/47/29/66/1185472966.db2.gz DFRHHHLYFACXRT-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001731787523 1185488229 /nfs/dbraw/zinc/48/82/29/1185488229.db2.gz LEBNAIZIXKDPJW-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001731787523 1185488234 /nfs/dbraw/zinc/48/82/34/1185488234.db2.gz LEBNAIZIXKDPJW-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001731787523 1185488237 /nfs/dbraw/zinc/48/82/37/1185488237.db2.gz LEBNAIZIXKDPJW-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001731787523 1185488242 /nfs/dbraw/zinc/48/82/42/1185488242.db2.gz LEBNAIZIXKDPJW-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@H](CC)OC)CC1 ZINC001731796120 1185491722 /nfs/dbraw/zinc/49/17/22/1185491722.db2.gz RSNXWBYDMWUQJU-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001732060215 1185652756 /nfs/dbraw/zinc/65/27/56/1185652756.db2.gz VUNDILPLZZAKFM-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001732186466 1185727288 /nfs/dbraw/zinc/72/72/88/1185727288.db2.gz MIRKESKCJHXCSG-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001732186466 1185727294 /nfs/dbraw/zinc/72/72/94/1185727294.db2.gz MIRKESKCJHXCSG-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001733491738 1186299107 /nfs/dbraw/zinc/29/91/07/1186299107.db2.gz VPFCEDYDLKXVEP-QGZVFWFLSA-N 2 1 307.438 0.439 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001733743458 1186427590 /nfs/dbraw/zinc/42/75/90/1186427590.db2.gz NQMHQIWUUGLCEF-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001733887192 1186486982 /nfs/dbraw/zinc/48/69/82/1186486982.db2.gz RJOPCPKWVCHXOZ-UHFFFAOYSA-N 2 1 318.421 0.583 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCOC(C)C)C1 ZINC001734117307 1186551498 /nfs/dbraw/zinc/55/14/98/1186551498.db2.gz OAJKUMMLASLZGD-WBVHZDCISA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCOC(C)C)C1 ZINC001734117307 1186551501 /nfs/dbraw/zinc/55/15/01/1186551501.db2.gz OAJKUMMLASLZGD-WBVHZDCISA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001734276943 1186601226 /nfs/dbraw/zinc/60/12/26/1186601226.db2.gz BBQATNBUZOFSHD-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCc1cnn(C)c1 ZINC001753051863 1188485213 /nfs/dbraw/zinc/48/52/13/1188485213.db2.gz RAIOTYXCGSXHCH-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCc1cnn(C)c1 ZINC001753051863 1188485215 /nfs/dbraw/zinc/48/52/15/1188485215.db2.gz RAIOTYXCGSXHCH-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCc1cnn(C)c1 ZINC001753051863 1188485216 /nfs/dbraw/zinc/48/52/16/1188485216.db2.gz RAIOTYXCGSXHCH-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCc1cnn(C)c1 ZINC001753051863 1188485218 /nfs/dbraw/zinc/48/52/18/1188485218.db2.gz RAIOTYXCGSXHCH-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001753138458 1188512977 /nfs/dbraw/zinc/51/29/77/1188512977.db2.gz VBWOCOAVVBOKBW-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001753345619 1188570054 /nfs/dbraw/zinc/57/00/54/1188570054.db2.gz MQYKCEHDBSTVKR-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001753345619 1188570059 /nfs/dbraw/zinc/57/00/59/1188570059.db2.gz MQYKCEHDBSTVKR-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001753345619 1188570063 /nfs/dbraw/zinc/57/00/63/1188570063.db2.gz MQYKCEHDBSTVKR-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001753674813 1188638254 /nfs/dbraw/zinc/63/82/54/1188638254.db2.gz HLQSITHKVLPASR-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754279611 1188807153 /nfs/dbraw/zinc/80/71/53/1188807153.db2.gz BEJHVTLBLHFTHP-IHRRRGAJSA-N 2 1 310.442 0.113 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754861410 1188954242 /nfs/dbraw/zinc/95/42/42/1188954242.db2.gz LQWLNDCPMNOWIC-KRWDZBQOSA-N 2 1 305.422 0.049 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754861410 1188954246 /nfs/dbraw/zinc/95/42/46/1188954246.db2.gz LQWLNDCPMNOWIC-KRWDZBQOSA-N 2 1 305.422 0.049 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CCC1 ZINC001754982048 1188986481 /nfs/dbraw/zinc/98/64/81/1188986481.db2.gz NLIWJMABRAPLMV-HOTGVXAUSA-N 2 1 321.465 0.874 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CCC1 ZINC001754982048 1188986483 /nfs/dbraw/zinc/98/64/83/1188986483.db2.gz NLIWJMABRAPLMV-HOTGVXAUSA-N 2 1 321.465 0.874 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001755347795 1189089709 /nfs/dbraw/zinc/08/97/09/1189089709.db2.gz MYXIWBGVRKOJBD-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755382351 1189096786 /nfs/dbraw/zinc/09/67/86/1189096786.db2.gz OAPQENOAGBJBOO-CQSZACIVSA-N 2 1 307.438 0.415 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(CC#CCOC)C1 ZINC001755390682 1189100616 /nfs/dbraw/zinc/10/06/16/1189100616.db2.gz XIUYGOVLQARHIN-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001755390682 1189100621 /nfs/dbraw/zinc/10/06/21/1189100621.db2.gz XIUYGOVLQARHIN-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001755390682 1189100622 /nfs/dbraw/zinc/10/06/22/1189100622.db2.gz XIUYGOVLQARHIN-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001755528785 1189136983 /nfs/dbraw/zinc/13/69/83/1189136983.db2.gz YEZAGFUVIPQWIP-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755528785 1189136985 /nfs/dbraw/zinc/13/69/85/1189136985.db2.gz YEZAGFUVIPQWIP-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001755528785 1189136986 /nfs/dbraw/zinc/13/69/86/1189136986.db2.gz YEZAGFUVIPQWIP-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC(C)C ZINC001755801955 1189221969 /nfs/dbraw/zinc/22/19/69/1189221969.db2.gz MMQCBIAAZQXUTC-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCC(C)C ZINC001755801955 1189221974 /nfs/dbraw/zinc/22/19/74/1189221974.db2.gz MMQCBIAAZQXUTC-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC(C)C ZINC001755801955 1189221978 /nfs/dbraw/zinc/22/19/78/1189221978.db2.gz MMQCBIAAZQXUTC-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC(C)C ZINC001755801955 1189221981 /nfs/dbraw/zinc/22/19/81/1189221981.db2.gz MMQCBIAAZQXUTC-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP C[N@H+]1CCO[C@@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@@H]21 ZINC001164670356 719370280 /nfs/dbraw/zinc/37/02/80/719370280.db2.gz UQMUXCIZHMFSMF-JKSUJKDBSA-N 2 1 313.405 0.508 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553111 751440820 /nfs/dbraw/zinc/44/08/20/751440820.db2.gz BNBNZURSPGWGPO-BZUAXINKSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553111 751440821 /nfs/dbraw/zinc/44/08/21/751440821.db2.gz BNBNZURSPGWGPO-BZUAXINKSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553111 751440825 /nfs/dbraw/zinc/44/08/25/751440825.db2.gz BNBNZURSPGWGPO-BZUAXINKSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553111 751440827 /nfs/dbraw/zinc/44/08/27/751440827.db2.gz BNBNZURSPGWGPO-BZUAXINKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837807 751606173 /nfs/dbraw/zinc/60/61/73/751606173.db2.gz GJBPIPCBIOWUOH-YVSFHVDLSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837807 751606178 /nfs/dbraw/zinc/60/61/78/751606178.db2.gz GJBPIPCBIOWUOH-YVSFHVDLSA-N 2 1 312.417 0.994 20 30 DCEDMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001124835485 751720594 /nfs/dbraw/zinc/72/05/94/751720594.db2.gz ADQWDFBFAUFFNH-OAHLLOKOSA-N 2 1 304.369 0.997 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001124835485 751720597 /nfs/dbraw/zinc/72/05/97/751720597.db2.gz ADQWDFBFAUFFNH-OAHLLOKOSA-N 2 1 304.369 0.997 20 30 DCEDMP CC#CCN1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193184 746978415 /nfs/dbraw/zinc/97/84/15/746978415.db2.gz FFWLZNAFMGRDLW-JKSUJKDBSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001098532971 747021825 /nfs/dbraw/zinc/02/18/25/747021825.db2.gz NBBNJRMWJDUMHS-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098532971 747021832 /nfs/dbraw/zinc/02/18/32/747021832.db2.gz NBBNJRMWJDUMHS-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098532971 747021839 /nfs/dbraw/zinc/02/18/39/747021839.db2.gz NBBNJRMWJDUMHS-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098536400 747060708 /nfs/dbraw/zinc/06/07/08/747060708.db2.gz JDCWNFQUGZRNDL-UHFFFAOYSA-N 2 1 319.449 0.391 20 30 DCEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561952 747348877 /nfs/dbraw/zinc/34/88/77/747348877.db2.gz QFEVXFPDXQJEPX-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561952 747348882 /nfs/dbraw/zinc/34/88/82/747348882.db2.gz QFEVXFPDXQJEPX-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098562630 747362307 /nfs/dbraw/zinc/36/23/07/747362307.db2.gz ZTUUIMHLTVSYQC-UHFFFAOYSA-N 2 1 307.438 0.391 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001098570913 747435488 /nfs/dbraw/zinc/43/54/88/747435488.db2.gz JTIOVNGHQQGHPM-UHFFFAOYSA-N 2 1 321.465 0.781 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104796026 747933546 /nfs/dbraw/zinc/93/35/46/747933546.db2.gz FBHVNFYKLJYRMZ-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)[NH+](C)C)C2)nn1 ZINC001105328511 748137511 /nfs/dbraw/zinc/13/75/11/748137511.db2.gz ICLRPYWHBNWGBZ-AWEZNQCLSA-N 2 1 306.414 0.277 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361197 748491305 /nfs/dbraw/zinc/49/13/05/748491305.db2.gz SYYVGBXUNRDIGR-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361197 748491306 /nfs/dbraw/zinc/49/13/06/748491306.db2.gz SYYVGBXUNRDIGR-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241287 749662450 /nfs/dbraw/zinc/66/24/50/749662450.db2.gz VXWHNIDUOUBCIX-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241287 749662454 /nfs/dbraw/zinc/66/24/54/749662454.db2.gz VXWHNIDUOUBCIX-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077281159 750313386 /nfs/dbraw/zinc/31/33/86/750313386.db2.gz YBMYNWNVASRFCM-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077281159 750313392 /nfs/dbraw/zinc/31/33/92/750313392.db2.gz YBMYNWNVASRFCM-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077281159 750313403 /nfs/dbraw/zinc/31/34/03/750313403.db2.gz YBMYNWNVASRFCM-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310579 751105544 /nfs/dbraw/zinc/10/55/44/751105544.db2.gz TVFJBCGJAQPVIY-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310579 751105547 /nfs/dbraw/zinc/10/55/47/751105547.db2.gz TVFJBCGJAQPVIY-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089353157 751284089 /nfs/dbraw/zinc/28/40/89/751284089.db2.gz XWPFFOVAABIYLY-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089353157 751284091 /nfs/dbraw/zinc/28/40/91/751284091.db2.gz XWPFFOVAABIYLY-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089353157 751284094 /nfs/dbraw/zinc/28/40/94/751284094.db2.gz XWPFFOVAABIYLY-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089353157 751284096 /nfs/dbraw/zinc/28/40/96/751284096.db2.gz XWPFFOVAABIYLY-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089907802 752588123 /nfs/dbraw/zinc/58/81/23/752588123.db2.gz OMCNPFURBWUFHQ-YVSFHVDLSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089907802 752588129 /nfs/dbraw/zinc/58/81/29/752588129.db2.gz OMCNPFURBWUFHQ-YVSFHVDLSA-N 2 1 312.417 0.994 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430353 752890403 /nfs/dbraw/zinc/89/04/03/752890403.db2.gz KGEIAOFKLYYUME-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430353 752890408 /nfs/dbraw/zinc/89/04/08/752890408.db2.gz KGEIAOFKLYYUME-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430353 752890415 /nfs/dbraw/zinc/89/04/15/752890415.db2.gz KGEIAOFKLYYUME-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430353 752890420 /nfs/dbraw/zinc/89/04/20/752890420.db2.gz KGEIAOFKLYYUME-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046011016 753415436 /nfs/dbraw/zinc/41/54/36/753415436.db2.gz YPIOUWUXXPKUGO-JKSUJKDBSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046011016 753415438 /nfs/dbraw/zinc/41/54/38/753415438.db2.gz YPIOUWUXXPKUGO-JKSUJKDBSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046011016 753415440 /nfs/dbraw/zinc/41/54/40/753415440.db2.gz YPIOUWUXXPKUGO-JKSUJKDBSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064346 753458824 /nfs/dbraw/zinc/45/88/24/753458824.db2.gz LKNCGBWXKQQODZ-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046064346 753458827 /nfs/dbraw/zinc/45/88/27/753458827.db2.gz LKNCGBWXKQQODZ-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046064346 753458829 /nfs/dbraw/zinc/45/88/29/753458829.db2.gz LKNCGBWXKQQODZ-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083832458 753959595 /nfs/dbraw/zinc/95/95/95/753959595.db2.gz IAVOMPQKZOMAMA-PMPSAXMXSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832458 753959597 /nfs/dbraw/zinc/95/95/97/753959597.db2.gz IAVOMPQKZOMAMA-PMPSAXMXSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832458 753959601 /nfs/dbraw/zinc/95/96/01/753959601.db2.gz IAVOMPQKZOMAMA-PMPSAXMXSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832458 753959606 /nfs/dbraw/zinc/95/96/06/753959606.db2.gz IAVOMPQKZOMAMA-PMPSAXMXSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001046850517 753980643 /nfs/dbraw/zinc/98/06/43/753980643.db2.gz VLNMXLUASQARKF-PBHICJAKSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001047439551 754284048 /nfs/dbraw/zinc/28/40/48/754284048.db2.gz KSXWOUGSTPSFGR-JYJNAYRXSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001047439551 754284052 /nfs/dbraw/zinc/28/40/52/754284052.db2.gz KSXWOUGSTPSFGR-JYJNAYRXSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439551 754284056 /nfs/dbraw/zinc/28/40/56/754284056.db2.gz KSXWOUGSTPSFGR-JYJNAYRXSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439551 754284061 /nfs/dbraw/zinc/28/40/61/754284061.db2.gz KSXWOUGSTPSFGR-JYJNAYRXSA-N 2 1 309.454 0.796 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090257706 754468876 /nfs/dbraw/zinc/46/88/76/754468876.db2.gz AYCLTLPMCOXNDC-CABCVRRESA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090260641 754821750 /nfs/dbraw/zinc/82/17/50/754821750.db2.gz IVHWHFOYJLBUJY-HOTGVXAUSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824319 754962362 /nfs/dbraw/zinc/96/23/62/754962362.db2.gz YUOQATZTKHLGKH-BBWFWOEESA-N 2 1 301.434 0.742 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549828 755311628 /nfs/dbraw/zinc/31/16/28/755311628.db2.gz RXYYVNAHGUGWDP-LTIDMASMSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549828 755311632 /nfs/dbraw/zinc/31/16/32/755311632.db2.gz RXYYVNAHGUGWDP-LTIDMASMSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549828 755311637 /nfs/dbraw/zinc/31/16/37/755311637.db2.gz RXYYVNAHGUGWDP-LTIDMASMSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549828 755311642 /nfs/dbraw/zinc/31/16/42/755311642.db2.gz RXYYVNAHGUGWDP-LTIDMASMSA-N 2 1 319.449 0.794 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160843 756117429 /nfs/dbraw/zinc/11/74/29/756117429.db2.gz AEYMUPJIXCKKCA-MYPHYYIGSA-N 2 1 319.449 0.862 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080160843 756117430 /nfs/dbraw/zinc/11/74/30/756117430.db2.gz AEYMUPJIXCKKCA-MYPHYYIGSA-N 2 1 319.449 0.862 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080160843 756117432 /nfs/dbraw/zinc/11/74/32/756117432.db2.gz AEYMUPJIXCKKCA-MYPHYYIGSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803110 756213619 /nfs/dbraw/zinc/21/36/19/756213619.db2.gz KRMFSNTTWIUDEE-CVEARBPZSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699368 756779379 /nfs/dbraw/zinc/77/93/79/756779379.db2.gz SEDVEOSGYVJWIE-ZJIFWQFVSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699368 756779383 /nfs/dbraw/zinc/77/93/83/756779383.db2.gz SEDVEOSGYVJWIE-ZJIFWQFVSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699368 756779384 /nfs/dbraw/zinc/77/93/84/756779384.db2.gz SEDVEOSGYVJWIE-ZJIFWQFVSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001081843459 756839602 /nfs/dbraw/zinc/83/96/02/756839602.db2.gz YEOOEWUQOSPIOA-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001050206345 757487428 /nfs/dbraw/zinc/48/74/28/757487428.db2.gz HPPLVXBDIPBIMD-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001050206345 757487432 /nfs/dbraw/zinc/48/74/32/757487432.db2.gz HPPLVXBDIPBIMD-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206345 757487438 /nfs/dbraw/zinc/48/74/38/757487438.db2.gz HPPLVXBDIPBIMD-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206345 757487441 /nfs/dbraw/zinc/48/74/41/757487441.db2.gz HPPLVXBDIPBIMD-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083936969 757555968 /nfs/dbraw/zinc/55/59/68/757555968.db2.gz FJLUHIUGQYRRML-SJORKVTESA-N 2 1 321.465 0.846 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2O)CC1 ZINC001084088021 757668329 /nfs/dbraw/zinc/66/83/29/757668329.db2.gz MIATVDUVFXRBRN-OIISXLGYSA-N 2 1 321.465 0.539 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CC[N@H+](C)CC)C1=O ZINC001170223850 762579330 /nfs/dbraw/zinc/57/93/30/762579330.db2.gz WLXVJXUNUPGZHF-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834316 758072371 /nfs/dbraw/zinc/07/23/71/758072371.db2.gz VGCTYEQUNXQNMU-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051208262 758513077 /nfs/dbraw/zinc/51/30/77/758513077.db2.gz LUASIDSGRLMHSV-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051208262 758513080 /nfs/dbraw/zinc/51/30/80/758513080.db2.gz LUASIDSGRLMHSV-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995973 759098628 /nfs/dbraw/zinc/09/86/28/759098628.db2.gz IBISDZBXAMNPPZ-CVEARBPZSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995973 759098636 /nfs/dbraw/zinc/09/86/36/759098636.db2.gz IBISDZBXAMNPPZ-CVEARBPZSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CC=C)CCO)CC1 ZINC001098396214 759459574 /nfs/dbraw/zinc/45/95/74/759459574.db2.gz WUOCOMCHUYVXBZ-KRWDZBQOSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CC=C)CCO)CC1 ZINC001098396214 759459576 /nfs/dbraw/zinc/45/95/76/759459576.db2.gz WUOCOMCHUYVXBZ-KRWDZBQOSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC=C)CCO)CC1 ZINC001098396214 759459579 /nfs/dbraw/zinc/45/95/79/759459579.db2.gz WUOCOMCHUYVXBZ-KRWDZBQOSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC=C)CCO)CC1 ZINC001098396214 759459581 /nfs/dbraw/zinc/45/95/81/759459581.db2.gz WUOCOMCHUYVXBZ-KRWDZBQOSA-N 2 1 319.449 0.555 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155283152 759706100 /nfs/dbraw/zinc/70/61/00/759706100.db2.gz KPEVGTNKJYKDEP-KGLIPLIRSA-N 2 1 312.458 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155283152 759706107 /nfs/dbraw/zinc/70/61/07/759706107.db2.gz KPEVGTNKJYKDEP-KGLIPLIRSA-N 2 1 312.458 0.455 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155790286 760171747 /nfs/dbraw/zinc/17/17/47/760171747.db2.gz JCIFYSYUGLJWLB-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100109673 760297787 /nfs/dbraw/zinc/29/77/87/760297787.db2.gz IQIGYNXSLDXLMY-GJZGRUSLSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100109673 760297797 /nfs/dbraw/zinc/29/77/97/760297797.db2.gz IQIGYNXSLDXLMY-GJZGRUSLSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124598 760440823 /nfs/dbraw/zinc/44/08/23/760440823.db2.gz KQXOWQOQQUHWRS-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169808048 760867864 /nfs/dbraw/zinc/86/78/64/760867864.db2.gz AXULEXNOZMCOBC-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148462944 767990086 /nfs/dbraw/zinc/99/00/86/767990086.db2.gz TYUWJOTXVVJMHA-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148462944 767990088 /nfs/dbraw/zinc/99/00/88/767990088.db2.gz TYUWJOTXVVJMHA-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)C[NH+](CC)CC)CC2=O)C1 ZINC001108581197 760920093 /nfs/dbraw/zinc/92/00/93/760920093.db2.gz KWEKKHLFTJPMFM-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076301 761075161 /nfs/dbraw/zinc/07/51/61/761075161.db2.gz JWAQGVVDGJGIIO-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076301 761075172 /nfs/dbraw/zinc/07/51/72/761075172.db2.gz JWAQGVVDGJGIIO-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076301 761075183 /nfs/dbraw/zinc/07/51/83/761075183.db2.gz JWAQGVVDGJGIIO-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076301 761075193 /nfs/dbraw/zinc/07/51/93/761075193.db2.gz JWAQGVVDGJGIIO-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327156 761170053 /nfs/dbraw/zinc/17/00/53/761170053.db2.gz VGEGGAPQWRYMFF-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)N(C)C)C2 ZINC001109400853 761397276 /nfs/dbraw/zinc/39/72/76/761397276.db2.gz ZCMOYKHUGYJKBT-FXUDXRNXSA-N 2 1 317.437 0.721 20 30 DCEDMP C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)N(C)C)C2 ZINC001109400853 761397281 /nfs/dbraw/zinc/39/72/81/761397281.db2.gz ZCMOYKHUGYJKBT-FXUDXRNXSA-N 2 1 317.437 0.721 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129421664 762934097 /nfs/dbraw/zinc/93/40/97/762934097.db2.gz BKWWVCHIGAABIM-LSDHHAIUSA-N 2 1 324.469 0.646 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCC ZINC001129790575 763004660 /nfs/dbraw/zinc/00/46/60/763004660.db2.gz BTIAGVVSSMJGIG-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCC ZINC001129790575 763004667 /nfs/dbraw/zinc/00/46/67/763004667.db2.gz BTIAGVVSSMJGIG-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNCc1nc(C)oc1C ZINC001129770491 763007094 /nfs/dbraw/zinc/00/70/94/763007094.db2.gz GVBNRPKSPNNCAL-HNNXBMFYSA-N 2 1 304.394 0.595 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNCc1nc(C)oc1C ZINC001129770491 763007103 /nfs/dbraw/zinc/00/71/03/763007103.db2.gz GVBNRPKSPNNCAL-HNNXBMFYSA-N 2 1 304.394 0.595 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001129770387 763007472 /nfs/dbraw/zinc/00/74/72/763007472.db2.gz FHEVIBCKAKNCJS-RYUDHWBXSA-N 2 1 321.343 0.103 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001129770387 763007476 /nfs/dbraw/zinc/00/74/76/763007476.db2.gz FHEVIBCKAKNCJS-RYUDHWBXSA-N 2 1 321.343 0.103 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC[C@@H]1CCOC1 ZINC001129770918 763008382 /nfs/dbraw/zinc/00/83/82/763008382.db2.gz NRBRCXLMNRYMGA-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC[C@@H]1CCOC1 ZINC001129770918 763008385 /nfs/dbraw/zinc/00/83/85/763008385.db2.gz NRBRCXLMNRYMGA-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP C=C(Cl)CN1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879614 763095606 /nfs/dbraw/zinc/09/56/06/763095606.db2.gz MYOVBRGDEHJNBM-UONOGXRCSA-N 2 1 315.845 0.775 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001099898669 763108680 /nfs/dbraw/zinc/10/86/80/763108680.db2.gz FXZACIHZQSYMGX-CVEARBPZSA-N 2 1 316.405 0.093 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001099898669 763108683 /nfs/dbraw/zinc/10/86/83/763108683.db2.gz FXZACIHZQSYMGX-CVEARBPZSA-N 2 1 316.405 0.093 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297086 763214759 /nfs/dbraw/zinc/21/47/59/763214759.db2.gz HRPPNVOSRJBQKC-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074271 763283658 /nfs/dbraw/zinc/28/36/58/763283658.db2.gz KUCMSFXJBIXGFW-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415123 763292362 /nfs/dbraw/zinc/29/23/62/763292362.db2.gz CAIUQHTUKMHUNU-CQSZACIVSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736942 763467777 /nfs/dbraw/zinc/46/77/77/763467777.db2.gz QQELDWIDFWFIOR-GOEBONIOSA-N 2 1 317.437 0.278 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)C[C@H]1C ZINC001092688846 768377539 /nfs/dbraw/zinc/37/75/39/768377539.db2.gz CQIGYDCWXHOHGG-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815762 764345447 /nfs/dbraw/zinc/34/54/47/764345447.db2.gz RLVUEKQGJAZCEH-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815762 764345458 /nfs/dbraw/zinc/34/54/58/764345458.db2.gz RLVUEKQGJAZCEH-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815762 764345468 /nfs/dbraw/zinc/34/54/68/764345468.db2.gz RLVUEKQGJAZCEH-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288709 764577596 /nfs/dbraw/zinc/57/75/96/764577596.db2.gz RFDAWDSRVWPQOV-HZPDHXFCSA-N 2 1 321.465 0.662 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133165637 764855752 /nfs/dbraw/zinc/85/57/52/764855752.db2.gz KLYDVMLXMFZMST-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103740809 765116419 /nfs/dbraw/zinc/11/64/19/765116419.db2.gz VPDJDLKTSMEPNP-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740809 765116425 /nfs/dbraw/zinc/11/64/25/765116425.db2.gz VPDJDLKTSMEPNP-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740809 765116430 /nfs/dbraw/zinc/11/64/30/765116430.db2.gz VPDJDLKTSMEPNP-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740809 765116434 /nfs/dbraw/zinc/11/64/34/765116434.db2.gz VPDJDLKTSMEPNP-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#CCOC)C2)[NH+](C)C ZINC001111789060 765389157 /nfs/dbraw/zinc/38/91/57/765389157.db2.gz VOTCMEZZOYRVOB-JZXOWHBKSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245478 765660566 /nfs/dbraw/zinc/66/05/66/765660566.db2.gz RQDULRYFKUHQLP-WCVJEAGWSA-N 2 1 307.438 0.577 20 30 DCEDMP C[NH+](C)CCn1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)n1 ZINC001118311820 766284840 /nfs/dbraw/zinc/28/48/40/766284840.db2.gz LMTLIEBCCTYKJO-UHFFFAOYSA-N 2 1 304.398 0.162 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090732192 766528794 /nfs/dbraw/zinc/52/87/94/766528794.db2.gz AIRXXPJXUAPVFJ-HOCLYGCPSA-N 2 1 316.405 0.336 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090732192 766528797 /nfs/dbraw/zinc/52/87/97/766528797.db2.gz AIRXXPJXUAPVFJ-HOCLYGCPSA-N 2 1 316.405 0.336 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncnc2c1C[NH2+]CC2 ZINC001171067743 766607951 /nfs/dbraw/zinc/60/79/51/766607951.db2.gz BGKSQGBZPHPVMZ-ZDUSSCGKSA-N 2 1 319.409 0.761 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001121915628 767667379 /nfs/dbraw/zinc/66/73/79/767667379.db2.gz LLFXWGMELDGXBU-UHFFFAOYSA-N 2 1 319.449 0.749 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147297548 767696416 /nfs/dbraw/zinc/69/64/16/767696416.db2.gz MBSKBNWUWVUHTA-OAHLLOKOSA-N 2 1 323.437 0.054 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147297548 767696418 /nfs/dbraw/zinc/69/64/18/767696418.db2.gz MBSKBNWUWVUHTA-OAHLLOKOSA-N 2 1 323.437 0.054 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147297548 767696421 /nfs/dbraw/zinc/69/64/21/767696421.db2.gz MBSKBNWUWVUHTA-OAHLLOKOSA-N 2 1 323.437 0.054 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147297548 767696426 /nfs/dbraw/zinc/69/64/26/767696426.db2.gz MBSKBNWUWVUHTA-OAHLLOKOSA-N 2 1 323.437 0.054 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001122220559 767743080 /nfs/dbraw/zinc/74/30/80/767743080.db2.gz YMUHCCFBEBYDFJ-LMBQMVEXSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001122220559 767743085 /nfs/dbraw/zinc/74/30/85/767743085.db2.gz YMUHCCFBEBYDFJ-LMBQMVEXSA-N 2 1 319.449 0.747 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001125214326 768375416 /nfs/dbraw/zinc/37/54/16/768375416.db2.gz RFIUCHKZOTXSLJ-OAHLLOKOSA-N 2 1 320.368 0.234 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001125214326 768375421 /nfs/dbraw/zinc/37/54/21/768375421.db2.gz RFIUCHKZOTXSLJ-OAHLLOKOSA-N 2 1 320.368 0.234 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001092688846 768377518 /nfs/dbraw/zinc/37/75/18/768377518.db2.gz CQIGYDCWXHOHGG-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001092688846 768377525 /nfs/dbraw/zinc/37/75/25/768377525.db2.gz CQIGYDCWXHOHGG-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)C[C@H]1C ZINC001092688846 768377532 /nfs/dbraw/zinc/37/75/32/768377532.db2.gz CQIGYDCWXHOHGG-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149937239 768910286 /nfs/dbraw/zinc/91/02/86/768910286.db2.gz RTSITPAIAWJTDQ-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937239 768910290 /nfs/dbraw/zinc/91/02/90/768910290.db2.gz RTSITPAIAWJTDQ-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937239 768910294 /nfs/dbraw/zinc/91/02/94/768910294.db2.gz RTSITPAIAWJTDQ-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151392961 769329684 /nfs/dbraw/zinc/32/96/84/769329684.db2.gz VEHGTRYIDKPUJB-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374783 770799996 /nfs/dbraw/zinc/79/99/96/770799996.db2.gz XIILKSHDHDTWJV-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374783 770800001 /nfs/dbraw/zinc/80/00/01/770800001.db2.gz XIILKSHDHDTWJV-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374783 770800009 /nfs/dbraw/zinc/80/00/09/770800009.db2.gz XIILKSHDHDTWJV-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)[C@@H]2C)CC[N@H+]1C ZINC001178736115 770849986 /nfs/dbraw/zinc/84/99/86/770849986.db2.gz OXAKFDOUSMJGIS-LUKYLMHMSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001182384399 771461813 /nfs/dbraw/zinc/46/18/13/771461813.db2.gz GKQWOIUHPKUYSU-SOLBZPMBSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001182384399 771461816 /nfs/dbraw/zinc/46/18/16/771461816.db2.gz GKQWOIUHPKUYSU-SOLBZPMBSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473038 771497548 /nfs/dbraw/zinc/49/75/48/771497548.db2.gz NLCGILVAVZIKGB-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCN1C(=O)CC[C@@]12CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001159653161 771939646 /nfs/dbraw/zinc/93/96/46/771939646.db2.gz PKUBXIKXLIPRRS-XJKSGUPXSA-N 2 1 308.426 0.222 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159837160 771967158 /nfs/dbraw/zinc/96/71/58/771967158.db2.gz BBCDZMXBTXCTOA-INIZCTEOSA-N 2 1 309.454 0.710 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159846681 771967663 /nfs/dbraw/zinc/96/76/63/771967663.db2.gz QBENEQZGEUPXPO-OAHLLOKOSA-N 2 1 324.469 0.362 20 30 DCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868543 771971153 /nfs/dbraw/zinc/97/11/53/771971153.db2.gz GERDUCZCYBJHER-INIZCTEOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCOC(C)C ZINC001160209315 772009849 /nfs/dbraw/zinc/00/98/49/772009849.db2.gz HNCKFULYEIXOHH-INIZCTEOSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCOC(C)C ZINC001160209315 772009854 /nfs/dbraw/zinc/00/98/54/772009854.db2.gz HNCKFULYEIXOHH-INIZCTEOSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001161597621 772253097 /nfs/dbraw/zinc/25/30/97/772253097.db2.gz DDAXAGIXMPBPCB-UHFFFAOYSA-N 2 1 319.449 0.869 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162871978 772427161 /nfs/dbraw/zinc/42/71/61/772427161.db2.gz CHXYEXFWSYDBRM-CKDBGZEDSA-N 2 1 323.437 0.148 20 30 DCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001165485039 772742208 /nfs/dbraw/zinc/74/22/08/772742208.db2.gz KKYGTRFBFBMSCX-HNNXBMFYSA-N 2 1 319.453 0.875 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC#CC)CC1 ZINC001165545984 772746416 /nfs/dbraw/zinc/74/64/16/772746416.db2.gz VFXDGEYBSLYAKB-INIZCTEOSA-N 2 1 301.434 0.983 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC#CC)CC1 ZINC001165545984 772746419 /nfs/dbraw/zinc/74/64/19/772746419.db2.gz VFXDGEYBSLYAKB-INIZCTEOSA-N 2 1 301.434 0.983 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203576992 772914597 /nfs/dbraw/zinc/91/45/97/772914597.db2.gz MJPCRXROJXLUQZ-CVEARBPZSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192958030 772978993 /nfs/dbraw/zinc/97/89/93/772978993.db2.gz DHQJAXKWUNLETP-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192958030 772978996 /nfs/dbraw/zinc/97/89/96/772978996.db2.gz DHQJAXKWUNLETP-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205519073 772998102 /nfs/dbraw/zinc/99/81/02/772998102.db2.gz UJMMKPZYUVELKQ-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205519073 772998103 /nfs/dbraw/zinc/99/81/03/772998103.db2.gz UJMMKPZYUVELKQ-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001205719488 773012941 /nfs/dbraw/zinc/01/29/41/773012941.db2.gz POKXPLYUEOLRJV-UPTPFMHGSA-N 2 1 317.433 0.311 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193281001 773037413 /nfs/dbraw/zinc/03/74/13/773037413.db2.gz ZCGHLXVHMBOJHM-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193281001 773037417 /nfs/dbraw/zinc/03/74/17/773037417.db2.gz ZCGHLXVHMBOJHM-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193281001 773037420 /nfs/dbraw/zinc/03/74/20/773037420.db2.gz ZCGHLXVHMBOJHM-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193455979 773071772 /nfs/dbraw/zinc/07/17/72/773071772.db2.gz JPIQJKVZFAYQLH-RRFJBIMHSA-N 2 1 315.433 0.794 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041310 773143848 /nfs/dbraw/zinc/14/38/48/773143848.db2.gz XDHVCFBXEDLOKB-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC#CC)C2)CC1 ZINC001194245968 773167257 /nfs/dbraw/zinc/16/72/57/773167257.db2.gz HUBBYRKNSUTZAJ-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441461 773462925 /nfs/dbraw/zinc/46/29/25/773462925.db2.gz GVHJZLHCFWNWJO-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441461 773462929 /nfs/dbraw/zinc/46/29/29/773462929.db2.gz GVHJZLHCFWNWJO-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738599 773523049 /nfs/dbraw/zinc/52/30/49/773523049.db2.gz GWJKKSWWCZOMAB-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210482007 773711107 /nfs/dbraw/zinc/71/11/07/773711107.db2.gz JAKYZBWECQVARP-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210811464 773741508 /nfs/dbraw/zinc/74/15/08/773741508.db2.gz OJUJAHZLEZRSAL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210811466 773741821 /nfs/dbraw/zinc/74/18/21/773741821.db2.gz OJUJAHZLEZRSAL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211089772 773768513 /nfs/dbraw/zinc/76/85/13/773768513.db2.gz AHUQIOYMXCCXOP-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC)C[C@H]2C)CC1 ZINC001211343997 773793300 /nfs/dbraw/zinc/79/33/00/773793300.db2.gz WTPGWZKTBFHTOL-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371008 773797964 /nfs/dbraw/zinc/79/79/64/773797964.db2.gz IAEQYGJSNMBNRP-ZIAGYGMSSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211371008 773797967 /nfs/dbraw/zinc/79/79/67/773797967.db2.gz IAEQYGJSNMBNRP-ZIAGYGMSSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371008 773797970 /nfs/dbraw/zinc/79/79/70/773797970.db2.gz IAEQYGJSNMBNRP-ZIAGYGMSSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371008 773797973 /nfs/dbraw/zinc/79/79/73/773797973.db2.gz IAEQYGJSNMBNRP-ZIAGYGMSSA-N 2 1 310.442 0.065 20 30 DCEDMP CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119301 774042898 /nfs/dbraw/zinc/04/28/98/774042898.db2.gz AQYKQAFEWLZQIV-BRWVUGGUSA-N 2 1 315.417 0.474 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200553864 774361992 /nfs/dbraw/zinc/36/19/92/774361992.db2.gz BHAMQEVINJOPRB-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976192 774433394 /nfs/dbraw/zinc/43/33/94/774433394.db2.gz OUGGQJGYIAUMRB-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)OC)CC1 ZINC001201093497 774445466 /nfs/dbraw/zinc/44/54/66/774445466.db2.gz AFJHQNMKJNLKOI-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)OC)CC1 ZINC001201093497 774445469 /nfs/dbraw/zinc/44/54/69/774445469.db2.gz AFJHQNMKJNLKOI-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403382 774501703 /nfs/dbraw/zinc/50/17/03/774501703.db2.gz KFKMQNQEVFCNMQ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202070115 774597587 /nfs/dbraw/zinc/59/75/87/774597587.db2.gz QXHDISRKLHSCGL-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001202165298 774610724 /nfs/dbraw/zinc/61/07/24/774610724.db2.gz XNDDNDKFJHJVMX-INIZCTEOSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001202165298 774610728 /nfs/dbraw/zinc/61/07/28/774610728.db2.gz XNDDNDKFJHJVMX-INIZCTEOSA-N 2 1 307.438 0.700 20 30 DCEDMP N#Cc1ccccc1OCCCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220685381 774891323 /nfs/dbraw/zinc/89/13/23/774891323.db2.gz VTXQANROMSETGT-UHFFFAOYSA-N 2 1 316.405 0.785 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220868344 774940161 /nfs/dbraw/zinc/94/01/61/774940161.db2.gz GTSGMLXRWBXUFB-KBPBESRZSA-N 2 1 308.426 0.093 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001220868107 774940288 /nfs/dbraw/zinc/94/02/88/774940288.db2.gz BILZUMKTMLFMQZ-KBPBESRZSA-N 2 1 310.442 0.243 20 30 DCEDMP N#Cc1ccn2ncc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)c2c1 ZINC001222109226 775273983 /nfs/dbraw/zinc/27/39/83/775273983.db2.gz BWFUMKLPIOVHGN-UHFFFAOYSA-N 2 1 310.405 0.733 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223250006 775477213 /nfs/dbraw/zinc/47/72/13/775477213.db2.gz UDNUAGXFWJCOBC-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001224846965 775613858 /nfs/dbraw/zinc/61/38/58/775613858.db2.gz VOKVXBUEVHYCEG-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225426591 775675632 /nfs/dbraw/zinc/67/56/32/775675632.db2.gz DBPOHCHREZFFJP-MRXNPFEDSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225578517 775696464 /nfs/dbraw/zinc/69/64/64/775696464.db2.gz VJZKVEYWIUYWBV-UHFFFAOYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001226859999 775886949 /nfs/dbraw/zinc/88/69/49/775886949.db2.gz GGSLEGHDGHIBHI-OAGGEKHMSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001226859999 775886960 /nfs/dbraw/zinc/88/69/60/775886960.db2.gz GGSLEGHDGHIBHI-OAGGEKHMSA-N 2 1 307.438 0.483 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227797560 776007892 /nfs/dbraw/zinc/00/78/92/776007892.db2.gz JRWJKLGJUBUKAV-MRXNPFEDSA-N 2 1 319.453 0.970 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001114832889 776204515 /nfs/dbraw/zinc/20/45/15/776204515.db2.gz ZTSPZDVXSULAOD-LJIGWXMPSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114832889 776204522 /nfs/dbraw/zinc/20/45/22/776204522.db2.gz ZTSPZDVXSULAOD-LJIGWXMPSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114832889 776204534 /nfs/dbraw/zinc/20/45/34/776204534.db2.gz ZTSPZDVXSULAOD-LJIGWXMPSA-N 2 1 307.438 0.720 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288702 777181365 /nfs/dbraw/zinc/18/13/65/777181365.db2.gz ZPHUWAHGBJPLFM-WMZOPIPTSA-N 2 1 301.434 0.886 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001281890536 945151296 /nfs/dbraw/zinc/15/12/96/945151296.db2.gz QULDNFMCNBQIME-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317811584 945194103 /nfs/dbraw/zinc/19/41/03/945194103.db2.gz OVGSLNUZBQJFJQ-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317811584 945194108 /nfs/dbraw/zinc/19/41/08/945194108.db2.gz OVGSLNUZBQJFJQ-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317811584 945194116 /nfs/dbraw/zinc/19/41/16/945194116.db2.gz OVGSLNUZBQJFJQ-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001273030127 945208913 /nfs/dbraw/zinc/20/89/13/945208913.db2.gz LPLJOAKLMPRVMQ-KRWDZBQOSA-N 2 1 307.438 0.723 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266275360 939040995 /nfs/dbraw/zinc/04/09/95/939040995.db2.gz WRQFBDGWOMVQTP-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266275360 939040997 /nfs/dbraw/zinc/04/09/97/939040997.db2.gz WRQFBDGWOMVQTP-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001266294856 939055770 /nfs/dbraw/zinc/05/57/70/939055770.db2.gz NHJKAYVGNGFINW-IRXDYDNUSA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001266294856 939055771 /nfs/dbraw/zinc/05/57/71/939055771.db2.gz NHJKAYVGNGFINW-IRXDYDNUSA-N 2 1 318.465 0.370 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001266882248 939265557 /nfs/dbraw/zinc/26/55/57/939265557.db2.gz FTLAXWYPICWTBR-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267071123 939331453 /nfs/dbraw/zinc/33/14/53/939331453.db2.gz DQPFVCUSUUCRQO-NSHDSACASA-N 2 1 304.232 0.895 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001267148536 939358890 /nfs/dbraw/zinc/35/88/90/939358890.db2.gz LDNKHYHZSBZZCF-ZIAGYGMSSA-N 2 1 306.410 0.723 20 30 DCEDMP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267216706 939391123 /nfs/dbraw/zinc/39/11/23/939391123.db2.gz QGVIEUKLYNHNCY-WBVHZDCISA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCO)c1ccccc1 ZINC001267520131 939483240 /nfs/dbraw/zinc/48/32/40/939483240.db2.gz JNURKMKGLGXHPE-IRXDYDNUSA-N 2 1 315.417 0.523 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCO)c1ccccc1 ZINC001267520131 939483242 /nfs/dbraw/zinc/48/32/42/939483242.db2.gz JNURKMKGLGXHPE-IRXDYDNUSA-N 2 1 315.417 0.523 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCOCC)C1 ZINC001481094926 939558389 /nfs/dbraw/zinc/55/83/89/939558389.db2.gz CRNHOLFNFZRMAD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCOCC)C1 ZINC001481094926 939558391 /nfs/dbraw/zinc/55/83/91/939558391.db2.gz CRNHOLFNFZRMAD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCOCC)C1 ZINC001481094926 939558394 /nfs/dbraw/zinc/55/83/94/939558394.db2.gz CRNHOLFNFZRMAD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCOCC)C1 ZINC001481094926 939558397 /nfs/dbraw/zinc/55/83/97/939558397.db2.gz CRNHOLFNFZRMAD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481641411 939991076 /nfs/dbraw/zinc/99/10/76/939991076.db2.gz OOVSZNQMWKMREC-ZFWWWQNUSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001268269756 940013108 /nfs/dbraw/zinc/01/31/08/940013108.db2.gz VQJJSASEMHXEBA-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1conc1CC ZINC001268648519 940317664 /nfs/dbraw/zinc/31/76/64/940317664.db2.gz LMNBCCWFNDDFTB-CJNGLKHVSA-N 2 1 318.421 0.929 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1conc1CC ZINC001268648519 940317667 /nfs/dbraw/zinc/31/76/67/940317667.db2.gz LMNBCCWFNDDFTB-CJNGLKHVSA-N 2 1 318.421 0.929 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)COCCCC ZINC001246001832 945312580 /nfs/dbraw/zinc/31/25/80/945312580.db2.gz OSGXEOBHXGLBGU-CABCVRRESA-N 2 1 316.442 0.980 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001270193153 940852515 /nfs/dbraw/zinc/85/25/15/940852515.db2.gz HDYNKAYSQBTNSW-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001270387332 940891522 /nfs/dbraw/zinc/89/15/22/940891522.db2.gz KBKQMUQWWKLAJK-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001270387332 940891524 /nfs/dbraw/zinc/89/15/24/940891524.db2.gz KBKQMUQWWKLAJK-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCCC ZINC001482295633 940920178 /nfs/dbraw/zinc/92/01/78/940920178.db2.gz DIXUZBWPSKUQTQ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCCC ZINC001482295633 940920179 /nfs/dbraw/zinc/92/01/79/940920179.db2.gz DIXUZBWPSKUQTQ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001271174727 941314558 /nfs/dbraw/zinc/31/45/58/941314558.db2.gz KSOCTSPGZUIKTC-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271174727 941314561 /nfs/dbraw/zinc/31/45/61/941314561.db2.gz KSOCTSPGZUIKTC-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271174727 941314563 /nfs/dbraw/zinc/31/45/63/941314563.db2.gz KSOCTSPGZUIKTC-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271957921 941491574 /nfs/dbraw/zinc/49/15/74/941491574.db2.gz KNIBWFIWQZAAMA-SJLPKXTDSA-N 2 1 321.465 0.847 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001482649522 941609962 /nfs/dbraw/zinc/60/99/62/941609962.db2.gz LOVGOCZPLMIWPJ-HNNXBMFYSA-N 2 1 322.453 0.259 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001482649522 941609964 /nfs/dbraw/zinc/60/99/64/941609964.db2.gz LOVGOCZPLMIWPJ-HNNXBMFYSA-N 2 1 322.453 0.259 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077440091 942404764 /nfs/dbraw/zinc/40/47/64/942404764.db2.gz DGICPSDYKBQJKX-BZUAXINKSA-N 2 1 307.438 0.598 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668724 942448858 /nfs/dbraw/zinc/44/88/58/942448858.db2.gz CXEDJMQJLHJAOW-IKGGRYGDSA-N 2 1 321.465 0.988 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001272413682 942740914 /nfs/dbraw/zinc/74/09/14/942740914.db2.gz HBXNIRDEBCGCHN-DOTOQJQBSA-N 2 1 321.465 0.731 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC#CCOC)C2)C1 ZINC001483848458 942976638 /nfs/dbraw/zinc/97/66/38/942976638.db2.gz UQVXLYJLQBSRNH-GOSISDBHSA-N 2 1 321.465 0.902 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@@]2(CC[N@H+](CC#CCOC)C2)C1 ZINC001483848458 942976640 /nfs/dbraw/zinc/97/66/40/942976640.db2.gz UQVXLYJLQBSRNH-GOSISDBHSA-N 2 1 321.465 0.902 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC#CCOC)C2)C1 ZINC001483848458 942976643 /nfs/dbraw/zinc/97/66/43/942976643.db2.gz UQVXLYJLQBSRNH-GOSISDBHSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001483988617 943073343 /nfs/dbraw/zinc/07/33/43/943073343.db2.gz HTQFTOWIUKLTSK-HZPDHXFCSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001491235616 943854003 /nfs/dbraw/zinc/85/40/03/943854003.db2.gz FBEXJWRMJWBGHV-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001276467251 944181953 /nfs/dbraw/zinc/18/19/53/944181953.db2.gz ACWSMVNHEZMEIM-KBPBESRZSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001276467251 944181958 /nfs/dbraw/zinc/18/19/58/944181958.db2.gz ACWSMVNHEZMEIM-KBPBESRZSA-N 2 1 324.469 0.454 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CC ZINC001276762329 944290049 /nfs/dbraw/zinc/29/00/49/944290049.db2.gz QQBPXWBSQXDSIV-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001316959076 944682736 /nfs/dbraw/zinc/68/27/36/944682736.db2.gz BWNRTYCNXYBXNH-INIZCTEOSA-N 2 1 308.470 0.781 20 30 DCEDMP N#CCN1CC[NH+](CCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001316961037 944687746 /nfs/dbraw/zinc/68/77/46/944687746.db2.gz SPFBERMTJWWZAQ-UHFFFAOYSA-N 2 1 319.453 0.262 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001277260210 944727803 /nfs/dbraw/zinc/72/78/03/944727803.db2.gz YESKSBXTEWZWSK-AWEZNQCLSA-N 2 1 322.453 0.401 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317341910 944933116 /nfs/dbraw/zinc/93/31/16/944933116.db2.gz DLCMHJKFGKUPHR-HNNXBMFYSA-N 2 1 304.394 0.279 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318819385 945450639 /nfs/dbraw/zinc/45/06/39/945450639.db2.gz FHEMMOBKLQURKA-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001318843895 945452816 /nfs/dbraw/zinc/45/28/16/945452816.db2.gz VERXFGSRYDURKT-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001319020416 945482602 /nfs/dbraw/zinc/48/26/02/945482602.db2.gz ZXPAEVIDHPAUQK-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001319981432 945709401 /nfs/dbraw/zinc/70/94/01/945709401.db2.gz OFGTZPNCDAQFQC-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001319981432 945709405 /nfs/dbraw/zinc/70/94/05/945709405.db2.gz OFGTZPNCDAQFQC-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001319981432 945709411 /nfs/dbraw/zinc/70/94/11/945709411.db2.gz OFGTZPNCDAQFQC-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001319981432 945709414 /nfs/dbraw/zinc/70/94/14/945709414.db2.gz OFGTZPNCDAQFQC-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001278873042 946532335 /nfs/dbraw/zinc/53/23/35/946532335.db2.gz YVOYZLGHGHVVSF-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001278873042 946532342 /nfs/dbraw/zinc/53/23/42/946532342.db2.gz YVOYZLGHGHVVSF-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322219953 946617662 /nfs/dbraw/zinc/61/76/62/946617662.db2.gz ZFVYRTVUUDHZLW-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322219953 946617666 /nfs/dbraw/zinc/61/76/66/946617666.db2.gz ZFVYRTVUUDHZLW-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCOC ZINC001279045196 946767352 /nfs/dbraw/zinc/76/73/52/946767352.db2.gz SDMRUAKPWIPVBS-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCOC ZINC001279045196 946767346 /nfs/dbraw/zinc/76/73/46/946767346.db2.gz SDMRUAKPWIPVBS-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CCOC ZINC001279045196 946767361 /nfs/dbraw/zinc/76/73/61/946767361.db2.gz SDMRUAKPWIPVBS-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CCOC ZINC001279045196 946767371 /nfs/dbraw/zinc/76/73/71/946767371.db2.gz SDMRUAKPWIPVBS-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC#CCOC)C2)C1)[NH+](C)C ZINC001323860394 947233529 /nfs/dbraw/zinc/23/35/29/947233529.db2.gz QQMXINVJGPWPMN-WMZOPIPTSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001324096726 947311879 /nfs/dbraw/zinc/31/18/79/947311879.db2.gz DKXDVLZGDUKHFE-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001325102614 947655289 /nfs/dbraw/zinc/65/52/89/947655289.db2.gz RQSTVYHVJWOOGS-GDBMZVCRSA-N 2 1 313.417 0.243 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001325138648 947675189 /nfs/dbraw/zinc/67/51/89/947675189.db2.gz VBQDXWYWWQWWJY-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325161009 947688414 /nfs/dbraw/zinc/68/84/14/947688414.db2.gz LGNDDHRAVRPXCY-DOTOQJQBSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC=C(C)C)C1 ZINC001326989822 948354934 /nfs/dbraw/zinc/35/49/34/948354934.db2.gz KUQFEEIMVLTKGE-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC=C(C)C)C1 ZINC001326989822 948354945 /nfs/dbraw/zinc/35/49/45/948354945.db2.gz KUQFEEIMVLTKGE-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001328218002 948751554 /nfs/dbraw/zinc/75/15/54/948751554.db2.gz SFEQWEIXXDYPEM-OAHLLOKOSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488683231 949064518 /nfs/dbraw/zinc/06/45/18/949064518.db2.gz BBOLOJHJVZBMSZ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488683231 949064537 /nfs/dbraw/zinc/06/45/37/949064537.db2.gz BBOLOJHJVZBMSZ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001488683231 949064556 /nfs/dbraw/zinc/06/45/56/949064556.db2.gz BBOLOJHJVZBMSZ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001488683231 949064576 /nfs/dbraw/zinc/06/45/76/949064576.db2.gz BBOLOJHJVZBMSZ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCN1CCOCC1 ZINC001328764879 949079110 /nfs/dbraw/zinc/07/91/10/949079110.db2.gz FZZBVTPTBLTPIN-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001328764879 949079142 /nfs/dbraw/zinc/07/91/42/949079142.db2.gz FZZBVTPTBLTPIN-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001328795270 949101597 /nfs/dbraw/zinc/10/15/97/949101597.db2.gz AKUZOSHJMBXIHE-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001265323223 949606278 /nfs/dbraw/zinc/60/62/78/949606278.db2.gz FZCLUQLYORHUCI-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265655654 949856201 /nfs/dbraw/zinc/85/62/01/949856201.db2.gz MKUQEUPXYQKVRD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265655654 949856222 /nfs/dbraw/zinc/85/62/22/949856222.db2.gz MKUQEUPXYQKVRD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001265655654 949856246 /nfs/dbraw/zinc/85/62/46/949856246.db2.gz MKUQEUPXYQKVRD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265655654 949856262 /nfs/dbraw/zinc/85/62/62/949856262.db2.gz MKUQEUPXYQKVRD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001265813432 949965854 /nfs/dbraw/zinc/96/58/54/949965854.db2.gz QVSLRHUMZBKVAT-RDBSUJKOSA-N 2 1 310.442 0.113 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266221420 950493334 /nfs/dbraw/zinc/49/33/34/950493334.db2.gz AGVZYVMOLRZMCL-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266221420 950493349 /nfs/dbraw/zinc/49/33/49/950493349.db2.gz AGVZYVMOLRZMCL-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266221420 950493358 /nfs/dbraw/zinc/49/33/58/950493358.db2.gz AGVZYVMOLRZMCL-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266221420 950493370 /nfs/dbraw/zinc/49/33/70/950493370.db2.gz AGVZYVMOLRZMCL-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001279116107 950516299 /nfs/dbraw/zinc/51/62/99/950516299.db2.gz YMYZYEAOVXQQKU-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@@H+](CCCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001490393093 950635847 /nfs/dbraw/zinc/63/58/47/950635847.db2.gz DZNBBUBKIFFAHW-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001490440330 950662089 /nfs/dbraw/zinc/66/20/89/950662089.db2.gz QPVVNCFJKGMPHR-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCCCC#N)C2 ZINC001274043237 951359425 /nfs/dbraw/zinc/35/94/25/951359425.db2.gz NZJCWJGAVBJCAL-KRWDZBQOSA-N 2 1 322.453 0.793 20 30 DCEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001274393298 951605368 /nfs/dbraw/zinc/60/53/68/951605368.db2.gz LAILGOPNFMPVOR-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001274657073 951769993 /nfs/dbraw/zinc/76/99/93/951769993.db2.gz XQNIRAJLWCVMLO-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001333071489 951906273 /nfs/dbraw/zinc/90/62/73/951906273.db2.gz WCGPEWOHYSKQKO-PRLABOORSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001275955224 952558866 /nfs/dbraw/zinc/55/88/66/952558866.db2.gz IPDGZBQYSUKAPM-CQSZACIVSA-N 2 1 305.426 0.518 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001340221399 953155282 /nfs/dbraw/zinc/15/52/82/953155282.db2.gz DDZIWCVPACEDPB-GDBMZVCRSA-N 2 1 308.470 0.955 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001340221399 953155287 /nfs/dbraw/zinc/15/52/87/953155287.db2.gz DDZIWCVPACEDPB-GDBMZVCRSA-N 2 1 308.470 0.955 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCO)CC1 ZINC001281969319 953433201 /nfs/dbraw/zinc/43/32/01/953433201.db2.gz UICGAKHSSROWCA-MRXNPFEDSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH2+]CC(=O)N1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001345190107 953612789 /nfs/dbraw/zinc/61/27/89/953612789.db2.gz DAPRQGXALQSGDO-CABCVRRESA-N 2 1 313.401 0.718 20 30 DCEDMP COCC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282678551 953645517 /nfs/dbraw/zinc/64/55/17/953645517.db2.gz VPRLTHSHLCEIJP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282678551 953645519 /nfs/dbraw/zinc/64/55/19/953645519.db2.gz VPRLTHSHLCEIJP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001282678551 953645528 /nfs/dbraw/zinc/64/55/28/953645528.db2.gz VPRLTHSHLCEIJP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282678549 953646593 /nfs/dbraw/zinc/64/65/93/953646593.db2.gz VPRLTHSHLCEIJP-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282678549 953646596 /nfs/dbraw/zinc/64/65/96/953646596.db2.gz VPRLTHSHLCEIJP-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001282678549 953646598 /nfs/dbraw/zinc/64/65/98/953646598.db2.gz VPRLTHSHLCEIJP-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001284248316 954960660 /nfs/dbraw/zinc/96/06/60/954960660.db2.gz TWHBMTHCPWCUAT-HOTGVXAUSA-N 2 1 318.421 0.716 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317483735 960220881 /nfs/dbraw/zinc/22/08/81/960220881.db2.gz JSVJTLGOGMDFAZ-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317483735 960220885 /nfs/dbraw/zinc/22/08/85/960220885.db2.gz JSVJTLGOGMDFAZ-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317483735 960220892 /nfs/dbraw/zinc/22/08/92/960220892.db2.gz JSVJTLGOGMDFAZ-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001316786358 960373887 /nfs/dbraw/zinc/37/38/87/960373887.db2.gz JPODXJHMPJJLNE-YCPHGPKFSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001316786358 960373896 /nfs/dbraw/zinc/37/38/96/960373896.db2.gz JPODXJHMPJJLNE-YCPHGPKFSA-N 2 1 324.469 0.454 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001390603365 990238484 /nfs/dbraw/zinc/23/84/84/990238484.db2.gz MRJVKMYFBKOJLK-UONOGXRCSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001390603365 990238490 /nfs/dbraw/zinc/23/84/90/990238490.db2.gz MRJVKMYFBKOJLK-UONOGXRCSA-N 2 1 315.845 0.898 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001507116350 1015998670 /nfs/dbraw/zinc/99/86/70/1015998670.db2.gz FKCBDJHIZCQTGV-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC#CC[NH+](C)C)CC1 ZINC001468799924 1016281222 /nfs/dbraw/zinc/28/12/22/1016281222.db2.gz WPDTUEYEAKVAPR-MRXNPFEDSA-N 2 1 323.485 0.124 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001401546542 1000483206 /nfs/dbraw/zinc/48/32/06/1000483206.db2.gz AXVZJFLBZLHKNX-BXUZGUMPSA-N 2 1 322.434 0.281 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001505711038 1016476143 /nfs/dbraw/zinc/47/61/43/1016476143.db2.gz YNJOYJZCHYMTLE-STQMWFEESA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001403897612 1002701627 /nfs/dbraw/zinc/70/16/27/1002701627.db2.gz DXSSVOKJISGOEU-ZIAGYGMSSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403897612 1002701638 /nfs/dbraw/zinc/70/16/38/1002701638.db2.gz DXSSVOKJISGOEU-ZIAGYGMSSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001403897612 1002701613 /nfs/dbraw/zinc/70/16/13/1002701613.db2.gz DXSSVOKJISGOEU-ZIAGYGMSSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403897612 1002701649 /nfs/dbraw/zinc/70/16/49/1002701649.db2.gz DXSSVOKJISGOEU-ZIAGYGMSSA-N 2 1 317.861 0.832 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001425837234 1003165251 /nfs/dbraw/zinc/16/52/51/1003165251.db2.gz DIMYKDDNGXRDDR-LBPRGKRZSA-N 2 1 324.450 0.527 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001407382647 1004610617 /nfs/dbraw/zinc/61/06/17/1004610617.db2.gz XYLHOCWKBRCBQT-UKRRQHHQSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001407382647 1004610621 /nfs/dbraw/zinc/61/06/21/1004610621.db2.gz XYLHOCWKBRCBQT-UKRRQHHQSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001407382647 1004610624 /nfs/dbraw/zinc/61/06/24/1004610624.db2.gz XYLHOCWKBRCBQT-UKRRQHHQSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001407382647 1004610628 /nfs/dbraw/zinc/61/06/28/1004610628.db2.gz XYLHOCWKBRCBQT-UKRRQHHQSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001441365776 1008334243 /nfs/dbraw/zinc/33/42/43/1008334243.db2.gz FRCTWGALJYORCA-HDJSIYSDSA-N 2 1 315.845 0.946 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001506816245 1017578351 /nfs/dbraw/zinc/57/83/51/1017578351.db2.gz ASALAMZHKBUTPA-OSYLJGHBSA-N 2 1 319.449 0.416 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001506816245 1017578364 /nfs/dbraw/zinc/57/83/64/1017578364.db2.gz ASALAMZHKBUTPA-OSYLJGHBSA-N 2 1 319.449 0.416 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001479653009 1017632564 /nfs/dbraw/zinc/63/25/64/1017632564.db2.gz ZLMVFGKBQQWFFG-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001479653009 1017632567 /nfs/dbraw/zinc/63/25/67/1017632567.db2.gz ZLMVFGKBQQWFFG-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001479653009 1017632572 /nfs/dbraw/zinc/63/25/72/1017632572.db2.gz ZLMVFGKBQQWFFG-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCNCc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001479741962 1017686663 /nfs/dbraw/zinc/68/66/63/1017686663.db2.gz OVFGPNLSTKTNAB-LBPRGKRZSA-N 2 1 318.446 0.702 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001479930922 1017993024 /nfs/dbraw/zinc/99/30/24/1017993024.db2.gz PJXBYBBDQMZTFB-QGZVFWFLSA-N 2 1 318.465 0.085 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001479942083 1018015249 /nfs/dbraw/zinc/01/52/49/1018015249.db2.gz HNELTKGUVHSBNO-IRXDYDNUSA-N 2 1 320.481 0.616 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1 ZINC001480064827 1018175824 /nfs/dbraw/zinc/17/58/24/1018175824.db2.gz DDPDANJFYDOHFH-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001480264713 1018387180 /nfs/dbraw/zinc/38/71/80/1018387180.db2.gz GNWMRZYGZDTYSP-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001480269698 1018392298 /nfs/dbraw/zinc/39/22/98/1018392298.db2.gz NBGYWVWDENRVAV-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001480368451 1018469672 /nfs/dbraw/zinc/46/96/72/1018469672.db2.gz XEJRDEMKVLMCHE-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001500695183 1018583364 /nfs/dbraw/zinc/58/33/64/1018583364.db2.gz HDNYGPNLCAQNDT-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001500695183 1018583374 /nfs/dbraw/zinc/58/33/74/1018583374.db2.gz HDNYGPNLCAQNDT-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001500695183 1018583387 /nfs/dbraw/zinc/58/33/87/1018583387.db2.gz HDNYGPNLCAQNDT-WMZOPIPTSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCOCC1 ZINC001480771066 1018892466 /nfs/dbraw/zinc/89/24/66/1018892466.db2.gz OIZFADICZRLZGQ-RDJZCZTQSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCOCC1 ZINC001480771066 1018892486 /nfs/dbraw/zinc/89/24/86/1018892486.db2.gz OIZFADICZRLZGQ-RDJZCZTQSA-N 2 1 321.465 0.995 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001501307533 1019030595 /nfs/dbraw/zinc/03/05/95/1019030595.db2.gz JSRVDNVGALNPAJ-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001501307533 1019030609 /nfs/dbraw/zinc/03/06/09/1019030609.db2.gz JSRVDNVGALNPAJ-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001501307533 1019030627 /nfs/dbraw/zinc/03/06/27/1019030627.db2.gz JSRVDNVGALNPAJ-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001501307533 1019030642 /nfs/dbraw/zinc/03/06/42/1019030642.db2.gz JSRVDNVGALNPAJ-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cncn1C ZINC001496080695 1019041728 /nfs/dbraw/zinc/04/17/28/1019041728.db2.gz QPVFPRGDTJDJRD-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cncn1C ZINC001496080695 1019041741 /nfs/dbraw/zinc/04/17/41/1019041741.db2.gz QPVFPRGDTJDJRD-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CN(C)CC#CCOC ZINC001498456927 1019135321 /nfs/dbraw/zinc/13/53/21/1019135321.db2.gz QOPMGJDFVBEBNT-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC#CCOC ZINC001498456927 1019135327 /nfs/dbraw/zinc/13/53/27/1019135327.db2.gz QOPMGJDFVBEBNT-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC#CCOC ZINC001498456927 1019135336 /nfs/dbraw/zinc/13/53/36/1019135336.db2.gz QOPMGJDFVBEBNT-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC#CCOC ZINC001498456927 1019135348 /nfs/dbraw/zinc/13/53/48/1019135348.db2.gz QOPMGJDFVBEBNT-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)OC)CC1 ZINC001498457933 1019139325 /nfs/dbraw/zinc/13/93/25/1019139325.db2.gz VFMVVSGZUZORCE-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001496822384 1019669652 /nfs/dbraw/zinc/66/96/52/1019669652.db2.gz VWKNAARWNKQKCE-CABCVRRESA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001496822384 1019669662 /nfs/dbraw/zinc/66/96/62/1019669662.db2.gz VWKNAARWNKQKCE-CABCVRRESA-N 2 1 324.469 0.504 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001494179242 1020052617 /nfs/dbraw/zinc/05/26/17/1020052617.db2.gz CSDKRCUBXSBDIE-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001662857415 1174248067 /nfs/dbraw/zinc/24/80/67/1174248067.db2.gz ZPDQVQSTHCMXSZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001662857415 1174248072 /nfs/dbraw/zinc/24/80/72/1174248072.db2.gz ZPDQVQSTHCMXSZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001662857415 1174248076 /nfs/dbraw/zinc/24/80/76/1174248076.db2.gz ZPDQVQSTHCMXSZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccccc1F ZINC000264056905 238187905 /nfs/dbraw/zinc/18/79/05/238187905.db2.gz BKSQDHIKWAHRCY-UHFFFAOYSA-N 2 1 308.401 0.995 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)CC1 ZINC000490935290 397499184 /nfs/dbraw/zinc/49/91/84/397499184.db2.gz MDMTZYGLZXKTMP-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP N#Cc1ncn(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000594524225 397563859 /nfs/dbraw/zinc/56/38/59/397563859.db2.gz OVABHNHMZPAROI-AWEZNQCLSA-N 2 1 304.398 0.383 20 30 DCEDMP COc1cccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000104162642 415623498 /nfs/dbraw/zinc/62/34/98/415623498.db2.gz LVGIMWZXRZTKHP-UHFFFAOYSA-N 2 1 320.437 0.864 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1noc2c1CCCC2 ZINC000287308978 415654019 /nfs/dbraw/zinc/65/40/19/415654019.db2.gz UICAWFOZKPYAJG-UHFFFAOYSA-N 2 1 321.425 0.680 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)nc(CC)n2)CC1 ZINC000287588558 415671328 /nfs/dbraw/zinc/67/13/28/415671328.db2.gz XVVODMQMMHTWGN-UHFFFAOYSA-N 2 1 315.421 0.609 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)nc(CC)n2)CC1 ZINC000287588558 415671330 /nfs/dbraw/zinc/67/13/30/415671330.db2.gz XVVODMQMMHTWGN-UHFFFAOYSA-N 2 1 315.421 0.609 20 30 DCEDMP C#CCNC(=O)[C@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154011077 415988913 /nfs/dbraw/zinc/98/89/13/415988913.db2.gz HVFYSSDGVLSFTB-BBWFWOEESA-N 2 1 320.481 0.615 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174728748 416086062 /nfs/dbraw/zinc/08/60/62/416086062.db2.gz UBURMZAOGZACHQ-UHFFFAOYSA-N 2 1 310.486 0.980 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000329423214 416170532 /nfs/dbraw/zinc/17/05/32/416170532.db2.gz HSIRJPCYADYLRC-IPYPFGDCSA-N 2 1 310.442 0.382 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000329423214 416170533 /nfs/dbraw/zinc/17/05/33/416170533.db2.gz HSIRJPCYADYLRC-IPYPFGDCSA-N 2 1 310.442 0.382 20 30 DCEDMP C=CC[C@H](CO)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000341292765 416206423 /nfs/dbraw/zinc/20/64/23/416206423.db2.gz HMYVGIUEJOWVSY-AWEZNQCLSA-N 2 1 305.426 0.503 20 30 DCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@H](C)C1 ZINC000329240141 416158215 /nfs/dbraw/zinc/15/82/15/416158215.db2.gz MLOMKMCHTSUJNO-ILXRZTDVSA-N 2 1 324.469 0.772 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000329240141 416158219 /nfs/dbraw/zinc/15/82/19/416158219.db2.gz MLOMKMCHTSUJNO-ILXRZTDVSA-N 2 1 324.469 0.772 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@H](C)C1 ZINC000329240141 416158223 /nfs/dbraw/zinc/15/82/23/416158223.db2.gz MLOMKMCHTSUJNO-ILXRZTDVSA-N 2 1 324.469 0.772 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261632246 416335497 /nfs/dbraw/zinc/33/54/97/416335497.db2.gz DFDNTPCDSOQREW-RRFJBIMHSA-N 2 1 322.453 0.257 20 30 DCEDMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424163074 416619787 /nfs/dbraw/zinc/61/97/87/416619787.db2.gz XHGAFSWFBCHPJY-OAHLLOKOSA-N 2 1 309.458 0.397 20 30 DCEDMP Cn1c[nH+]cc1CCC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000577622262 417678586 /nfs/dbraw/zinc/67/85/86/417678586.db2.gz HUMOPDDWOVHCNH-UHFFFAOYSA-N 2 1 301.398 1.094 20 30 DCEDMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000577622262 417678590 /nfs/dbraw/zinc/67/85/90/417678590.db2.gz HUMOPDDWOVHCNH-UHFFFAOYSA-N 2 1 301.398 1.094 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569761997 1161232318 /nfs/dbraw/zinc/23/23/18/1161232318.db2.gz DKUTVBITACOCJZ-KRWDZBQOSA-N 2 1 309.454 0.846 20 30 DCEDMP C[C@@H](O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264088826 533864009 /nfs/dbraw/zinc/86/40/09/533864009.db2.gz KHFOKQOEYHGTGH-CQSZACIVSA-N 2 1 320.437 0.867 20 30 DCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175577032 526377290 /nfs/dbraw/zinc/37/72/90/526377290.db2.gz MZAYHYDLJSHTLP-KGLIPLIRSA-N 2 1 304.442 0.737 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000248700758 526426410 /nfs/dbraw/zinc/42/64/10/526426410.db2.gz ZNUOVCHHGLDBDY-CABCVRRESA-N 2 1 324.469 0.733 20 30 DCEDMP CCNC(NCCC[NH+]1CCN(c2ncccn2)CC1)=[NH+]CC ZINC000264147192 528006969 /nfs/dbraw/zinc/00/69/69/528006969.db2.gz YCBZWRNBIHMDFX-UHFFFAOYSA-N 2 1 319.457 0.564 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001666298679 1174597615 /nfs/dbraw/zinc/59/76/15/1174597615.db2.gz PMHQECSFLMKPIO-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001673700455 1175225375 /nfs/dbraw/zinc/22/53/75/1175225375.db2.gz XWKSUDJEGGLLSI-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)CC1 ZINC000977650394 660409687 /nfs/dbraw/zinc/40/96/87/660409687.db2.gz CVGHJRAPLVMMLR-HNNXBMFYSA-N 2 1 307.438 0.151 20 30 DCEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981646516 661189458 /nfs/dbraw/zinc/18/94/58/661189458.db2.gz MDGWEZZLCDZLNY-PQUAAJSLSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646516 661189461 /nfs/dbraw/zinc/18/94/61/661189461.db2.gz MDGWEZZLCDZLNY-PQUAAJSLSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646516 661189463 /nfs/dbraw/zinc/18/94/63/661189463.db2.gz MDGWEZZLCDZLNY-PQUAAJSLSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001022220703 657566659 /nfs/dbraw/zinc/56/66/59/657566659.db2.gz LBXBEVBFEFDEQE-XHSDSOJGSA-N 2 1 315.421 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001022220703 657566662 /nfs/dbraw/zinc/56/66/62/657566662.db2.gz LBXBEVBFEFDEQE-XHSDSOJGSA-N 2 1 315.421 0.218 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC#CC)C1 ZINC001023421641 657848855 /nfs/dbraw/zinc/84/88/55/657848855.db2.gz FNOJIJGFZHWDDJ-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC#CC)C1 ZINC001023421641 657848862 /nfs/dbraw/zinc/84/88/62/657848862.db2.gz FNOJIJGFZHWDDJ-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC#CC)C1 ZINC001023421641 657848870 /nfs/dbraw/zinc/84/88/70/657848870.db2.gz FNOJIJGFZHWDDJ-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC#CC)C1 ZINC001023421641 657848878 /nfs/dbraw/zinc/84/88/78/657848878.db2.gz FNOJIJGFZHWDDJ-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001023448909 657874711 /nfs/dbraw/zinc/87/47/11/657874711.db2.gz BEIZIOPLGNONCS-CABCVRRESA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891920837 657917274 /nfs/dbraw/zinc/91/72/74/657917274.db2.gz DTEJJFULIDTMDB-VXGBXAGGSA-N 2 1 320.359 0.720 20 30 DCEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041841768 658392996 /nfs/dbraw/zinc/39/29/96/658392996.db2.gz UCWMZDUPPITFJL-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041841768 658393006 /nfs/dbraw/zinc/39/30/06/658393006.db2.gz UCWMZDUPPITFJL-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841768 658393015 /nfs/dbraw/zinc/39/30/15/658393015.db2.gz UCWMZDUPPITFJL-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841768 658393025 /nfs/dbraw/zinc/39/30/25/658393025.db2.gz UCWMZDUPPITFJL-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022122203 658877992 /nfs/dbraw/zinc/87/79/92/658877992.db2.gz RAIVTHTYOWBEEX-CRWXNKLISA-N 2 1 313.829 0.839 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)COC)C[C@H]21 ZINC001025814069 659576698 /nfs/dbraw/zinc/57/66/98/659576698.db2.gz NUBFWASYQCVYCH-ARKGTOAJSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]21 ZINC001025814069 659576700 /nfs/dbraw/zinc/57/67/00/659576700.db2.gz NUBFWASYQCVYCH-ARKGTOAJSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)COC)C[C@H]21 ZINC001025814069 659576703 /nfs/dbraw/zinc/57/67/03/659576703.db2.gz NUBFWASYQCVYCH-ARKGTOAJSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)COC)C[C@H]21 ZINC001025814069 659576705 /nfs/dbraw/zinc/57/67/05/659576705.db2.gz NUBFWASYQCVYCH-ARKGTOAJSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001026893796 659626027 /nfs/dbraw/zinc/62/60/27/659626027.db2.gz NSCDEEINIAAMSN-ZFWWWQNUSA-N 2 1 317.393 0.105 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001026893796 659626030 /nfs/dbraw/zinc/62/60/30/659626030.db2.gz NSCDEEINIAAMSN-ZFWWWQNUSA-N 2 1 317.393 0.105 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020397 665732386 /nfs/dbraw/zinc/73/23/86/665732386.db2.gz MMJGLFIVILUIPZ-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](C)O)CC1 ZINC001028333348 661462348 /nfs/dbraw/zinc/46/23/48/661462348.db2.gz IDMHBQLEYZVASH-GOEBONIOSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698835 661765045 /nfs/dbraw/zinc/76/50/45/661765045.db2.gz QPXKFRMFTBHTNI-JBCIKUTRSA-N 2 1 317.433 0.311 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648939 665822377 /nfs/dbraw/zinc/82/23/77/665822377.db2.gz JXKMYBSIIRVVFT-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648939 665822378 /nfs/dbraw/zinc/82/23/78/665822378.db2.gz JXKMYBSIIRVVFT-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648939 665822379 /nfs/dbraw/zinc/82/23/79/665822379.db2.gz JXKMYBSIIRVVFT-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648939 665822380 /nfs/dbraw/zinc/82/23/80/665822380.db2.gz JXKMYBSIIRVVFT-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648939 665822381 /nfs/dbraw/zinc/82/23/81/665822381.db2.gz JXKMYBSIIRVVFT-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP CO[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)(C)C ZINC000304684162 662465885 /nfs/dbraw/zinc/46/58/85/662465885.db2.gz PMWVAGZDZMRHOC-CYBMUJFWSA-N 2 1 300.447 0.674 20 30 DCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000985543347 662476032 /nfs/dbraw/zinc/47/60/32/662476032.db2.gz MFGLONPUCBZCTO-BFHRDPOASA-N 2 1 319.449 0.958 20 30 DCEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900377733 663239125 /nfs/dbraw/zinc/23/91/25/663239125.db2.gz CRRHLDQXEBSRHV-INIZCTEOSA-N 2 1 310.442 0.527 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000901318359 663339878 /nfs/dbraw/zinc/33/98/78/663339878.db2.gz MXWSJDWZWFUMBL-AWEZNQCLSA-N 2 1 311.426 0.590 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000901318359 663339880 /nfs/dbraw/zinc/33/98/80/663339880.db2.gz MXWSJDWZWFUMBL-AWEZNQCLSA-N 2 1 311.426 0.590 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000974703 665969228 /nfs/dbraw/zinc/96/92/28/665969228.db2.gz DGHGRDHSUYUMSH-UPTPFMHGSA-N 2 1 315.417 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000974703 665969230 /nfs/dbraw/zinc/96/92/30/665969230.db2.gz DGHGRDHSUYUMSH-UPTPFMHGSA-N 2 1 315.417 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000974703 665969231 /nfs/dbraw/zinc/96/92/31/665969231.db2.gz DGHGRDHSUYUMSH-UPTPFMHGSA-N 2 1 315.417 0.231 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000908435368 663755365 /nfs/dbraw/zinc/75/53/65/663755365.db2.gz GAVXKZIPMZAQAZ-HNNXBMFYSA-N 2 1 303.410 0.861 20 30 DCEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000925414526 664801397 /nfs/dbraw/zinc/80/13/97/664801397.db2.gz OTYWBRATURUQHK-IBDQYESBSA-N 2 1 304.394 0.443 20 30 DCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689587 665290951 /nfs/dbraw/zinc/29/09/51/665290951.db2.gz WPRMMJVPGMATDW-JKSUJKDBSA-N 2 1 307.438 0.864 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001426890 666050977 /nfs/dbraw/zinc/05/09/77/666050977.db2.gz XVMKYRPFWNMAGZ-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003330827 666297252 /nfs/dbraw/zinc/29/72/52/666297252.db2.gz DLCUHXJPTNGBQC-GULBITTBSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033280061 666659556 /nfs/dbraw/zinc/65/95/56/666659556.db2.gz ZVFACSLYXBREGT-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033280061 666659557 /nfs/dbraw/zinc/65/95/57/666659557.db2.gz ZVFACSLYXBREGT-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033280061 666659559 /nfs/dbraw/zinc/65/95/59/666659559.db2.gz ZVFACSLYXBREGT-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005426464 666855395 /nfs/dbraw/zinc/85/53/95/666855395.db2.gz URRWXFWHTUZLRS-DLBZAZTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCO)CC1 ZINC000997148697 667171942 /nfs/dbraw/zinc/17/19/42/667171942.db2.gz IGZTYXBLPFQCRF-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCO)CC1 ZINC000997148697 667171944 /nfs/dbraw/zinc/17/19/44/667171944.db2.gz IGZTYXBLPFQCRF-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)CC2 ZINC001035255187 667282526 /nfs/dbraw/zinc/28/25/26/667282526.db2.gz ONNZXARXRABJNM-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035255187 667282527 /nfs/dbraw/zinc/28/25/27/667282527.db2.gz ONNZXARXRABJNM-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](CC)CCO1)CC2 ZINC001035255187 667282528 /nfs/dbraw/zinc/28/25/28/667282528.db2.gz ONNZXARXRABJNM-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](CC)CCO1)CC2 ZINC001035255187 667282531 /nfs/dbraw/zinc/28/25/31/667282531.db2.gz ONNZXARXRABJNM-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035423390 667329773 /nfs/dbraw/zinc/32/97/73/667329773.db2.gz MIQZVVWGFHBBMS-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001035423390 667329777 /nfs/dbraw/zinc/32/97/77/667329777.db2.gz MIQZVVWGFHBBMS-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001035423390 667329778 /nfs/dbraw/zinc/32/97/78/667329778.db2.gz MIQZVVWGFHBBMS-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001035423390 667329781 /nfs/dbraw/zinc/32/97/81/667329781.db2.gz MIQZVVWGFHBBMS-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997637187 667351707 /nfs/dbraw/zinc/35/17/07/667351707.db2.gz WTWSFHAOBKOMMS-HLLBOEOZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997637187 667351709 /nfs/dbraw/zinc/35/17/09/667351709.db2.gz WTWSFHAOBKOMMS-HLLBOEOZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000884197068 667495747 /nfs/dbraw/zinc/49/57/47/667495747.db2.gz JIEREPTYZZYKHS-GDBMZVCRSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000884197068 667495751 /nfs/dbraw/zinc/49/57/51/667495751.db2.gz JIEREPTYZZYKHS-GDBMZVCRSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CCN(C(=O)[C@@H](C)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000886580873 667778796 /nfs/dbraw/zinc/77/87/96/667778796.db2.gz AROGGMWOIVAADH-OAHLLOKOSA-N 2 1 306.454 0.178 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000876709545 668492477 /nfs/dbraw/zinc/49/24/77/668492477.db2.gz USIXBWPSIMFTPG-CHWSQXEVSA-N 2 1 301.818 0.780 20 30 DCEDMP C#C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000775800850 668867953 /nfs/dbraw/zinc/86/79/53/668867953.db2.gz VAYOMGNBKICOPX-HOTGVXAUSA-N 2 1 305.422 0.500 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](CC)OC)CC1 ZINC000948825954 670187931 /nfs/dbraw/zinc/18/79/31/670187931.db2.gz ZVGJQQOPUGZOLC-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842778 670214488 /nfs/dbraw/zinc/21/44/88/670214488.db2.gz UVJJIIQWRTUUMT-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842778 670214491 /nfs/dbraw/zinc/21/44/91/670214491.db2.gz UVJJIIQWRTUUMT-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP CC1CC[NH+](CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303910774 685208151 /nfs/dbraw/zinc/20/81/51/685208151.db2.gz ZEHZSFNOTFRKBB-UHFFFAOYSA-N 3 1 311.474 0.345 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215599 687447425 /nfs/dbraw/zinc/44/74/25/687447425.db2.gz XFOMJZVHJUKHFF-JKSUJKDBSA-N 2 1 321.465 0.990 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214828 687447740 /nfs/dbraw/zinc/44/77/40/687447740.db2.gz NNEHAMQRNNMZBR-HUUCEWRRSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175728928 1158847795 /nfs/dbraw/zinc/84/77/95/1158847795.db2.gz HMDKASPRVDIXGG-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000968752584 690385799 /nfs/dbraw/zinc/38/57/99/690385799.db2.gz PIPVOLHFBMWMPM-IUODEOHRSA-N 2 1 301.394 0.614 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000968752584 690385803 /nfs/dbraw/zinc/38/58/03/690385803.db2.gz PIPVOLHFBMWMPM-IUODEOHRSA-N 2 1 301.394 0.614 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000968752584 690385807 /nfs/dbraw/zinc/38/58/07/690385807.db2.gz PIPVOLHFBMWMPM-IUODEOHRSA-N 2 1 301.394 0.614 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001009624971 691076737 /nfs/dbraw/zinc/07/67/37/691076737.db2.gz CBBZCRMFLGBGBU-GDBMZVCRSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015325200 692264760 /nfs/dbraw/zinc/26/47/60/692264760.db2.gz RECNPPILDAQFMV-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015325200 692264762 /nfs/dbraw/zinc/26/47/62/692264762.db2.gz RECNPPILDAQFMV-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015325200 692264765 /nfs/dbraw/zinc/26/47/65/692264765.db2.gz RECNPPILDAQFMV-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015325200 692264766 /nfs/dbraw/zinc/26/47/66/692264766.db2.gz RECNPPILDAQFMV-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016553911 692719119 /nfs/dbraw/zinc/71/91/19/692719119.db2.gz VIGBHJNYCPGIQS-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553911 692719125 /nfs/dbraw/zinc/71/91/25/692719125.db2.gz VIGBHJNYCPGIQS-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040451676 694552255 /nfs/dbraw/zinc/55/22/55/694552255.db2.gz GEWULHUHFKMQGC-GOSISDBHSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040451676 694552258 /nfs/dbraw/zinc/55/22/58/694552258.db2.gz GEWULHUHFKMQGC-GOSISDBHSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2conc2C)C1 ZINC001018986086 693307927 /nfs/dbraw/zinc/30/79/27/693307927.db2.gz RBNQRHMCQMYVNJ-HOTGVXAUSA-N 2 1 316.405 0.771 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2conc2C)C1 ZINC001018986086 693307931 /nfs/dbraw/zinc/30/79/31/693307931.db2.gz RBNQRHMCQMYVNJ-HOTGVXAUSA-N 2 1 316.405 0.771 20 30 DCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073434003 694726600 /nfs/dbraw/zinc/72/66/00/694726600.db2.gz ZHOJKDWJIZJFRY-HNNXBMFYSA-N 2 1 307.438 0.675 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605257 694750125 /nfs/dbraw/zinc/75/01/25/694750125.db2.gz GFJGERKKTGIQRE-IRXDYDNUSA-N 2 1 319.449 0.559 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611422 694751679 /nfs/dbraw/zinc/75/16/79/694751679.db2.gz WOAIQOUMLRTQAC-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073611422 694751680 /nfs/dbraw/zinc/75/16/80/694751680.db2.gz WOAIQOUMLRTQAC-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611422 694751681 /nfs/dbraw/zinc/75/16/81/694751681.db2.gz WOAIQOUMLRTQAC-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073862870 694793973 /nfs/dbraw/zinc/79/39/73/694793973.db2.gz ZFKPACLNHGTWQN-HNNXBMFYSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001073898955 694798470 /nfs/dbraw/zinc/79/84/70/694798470.db2.gz HNJHFJAYWYFRKT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073898955 694798471 /nfs/dbraw/zinc/79/84/71/694798471.db2.gz HNJHFJAYWYFRKT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073898955 694798472 /nfs/dbraw/zinc/79/84/72/694798472.db2.gz HNJHFJAYWYFRKT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073898955 694798474 /nfs/dbraw/zinc/79/84/74/694798474.db2.gz HNJHFJAYWYFRKT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576608 695029406 /nfs/dbraw/zinc/02/94/06/695029406.db2.gz SGIFNMMFIWFDJG-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576608 695029407 /nfs/dbraw/zinc/02/94/07/695029407.db2.gz SGIFNMMFIWFDJG-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001570530297 1162536635 /nfs/dbraw/zinc/53/66/35/1162536635.db2.gz IORHMPIIGPSSBX-HNNXBMFYSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C[C@@H]1CCCOC1 ZINC001691023409 1157403112 /nfs/dbraw/zinc/40/31/12/1157403112.db2.gz CRZGHUWQDYBWFB-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C[C@@H]1CCCOC1 ZINC001691023409 1157403117 /nfs/dbraw/zinc/40/31/17/1157403117.db2.gz CRZGHUWQDYBWFB-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@@H]1CCCOC1 ZINC001691023409 1157403120 /nfs/dbraw/zinc/40/31/20/1157403120.db2.gz CRZGHUWQDYBWFB-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@@H]1CCCOC1 ZINC001691023409 1157403123 /nfs/dbraw/zinc/40/31/23/1157403123.db2.gz CRZGHUWQDYBWFB-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2coc(C)n2)CC1 ZINC001772517059 1157408761 /nfs/dbraw/zinc/40/87/61/1157408761.db2.gz SZPMFUOTDYINSZ-CYBMUJFWSA-N 2 1 318.421 0.923 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001671604059 1157501239 /nfs/dbraw/zinc/50/12/39/1157501239.db2.gz VOSNKODQKICIPD-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001671604059 1157501240 /nfs/dbraw/zinc/50/12/40/1157501240.db2.gz VOSNKODQKICIPD-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001671604059 1157501243 /nfs/dbraw/zinc/50/12/43/1157501243.db2.gz VOSNKODQKICIPD-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001691323361 1157642672 /nfs/dbraw/zinc/64/26/72/1157642672.db2.gz IVBZTNYEVUFPAO-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001248690122 1159136677 /nfs/dbraw/zinc/13/66/77/1159136677.db2.gz IJXPDVLPBJTWAI-KBPBESRZSA-N 2 1 310.467 0.430 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCOCC)C1 ZINC001567128845 1160250929 /nfs/dbraw/zinc/25/09/29/1160250929.db2.gz WKUAYTQETUNWLW-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCOCC)C1 ZINC001567128845 1160250933 /nfs/dbraw/zinc/25/09/33/1160250933.db2.gz WKUAYTQETUNWLW-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001567838908 1160496861 /nfs/dbraw/zinc/49/68/61/1160496861.db2.gz RAQVAUSCZIJYEY-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001569316941 1161011091 /nfs/dbraw/zinc/01/10/91/1161011091.db2.gz OWUKTNNCSRKETM-ZBFHGGJFSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001569764798 1161235076 /nfs/dbraw/zinc/23/50/76/1161235076.db2.gz FVAVBEWIAUJGJL-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP C=CCC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001569884632 1161294188 /nfs/dbraw/zinc/29/41/88/1161294188.db2.gz WIUTYOOPFHILSW-MRXNPFEDSA-N 2 1 324.469 0.063 20 30 DCEDMP C=CCC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001569884632 1161294190 /nfs/dbraw/zinc/29/41/90/1161294190.db2.gz WIUTYOOPFHILSW-MRXNPFEDSA-N 2 1 324.469 0.063 20 30 DCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569896172 1161302214 /nfs/dbraw/zinc/30/22/14/1161302214.db2.gz ZEERFAFFZFQZGL-GOEBONIOSA-N 2 1 315.433 0.795 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569896172 1161302222 /nfs/dbraw/zinc/30/22/22/1161302222.db2.gz ZEERFAFFZFQZGL-GOEBONIOSA-N 2 1 315.433 0.795 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001569897878 1161305728 /nfs/dbraw/zinc/30/57/28/1161305728.db2.gz IAPQXOGQCOSNFC-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001569897878 1161305734 /nfs/dbraw/zinc/30/57/34/1161305734.db2.gz IAPQXOGQCOSNFC-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001569897878 1161305738 /nfs/dbraw/zinc/30/57/38/1161305738.db2.gz IAPQXOGQCOSNFC-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001569947468 1161339260 /nfs/dbraw/zinc/33/92/60/1161339260.db2.gz HDIBPQBJULZPJY-HNNXBMFYSA-N 2 1 320.437 0.741 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001574673379 1163738691 /nfs/dbraw/zinc/73/86/91/1163738691.db2.gz KSQQNFMGPYRNGI-KBPBESRZSA-N 2 1 316.409 0.030 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001574673379 1163738694 /nfs/dbraw/zinc/73/86/94/1163738694.db2.gz KSQQNFMGPYRNGI-KBPBESRZSA-N 2 1 316.409 0.030 20 30 DCEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC001575962564 1164193860 /nfs/dbraw/zinc/19/38/60/1164193860.db2.gz UKIAHGSPLZBLHV-HUUCEWRRSA-N 2 1 309.458 0.540 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001662857429 1174247436 /nfs/dbraw/zinc/24/74/36/1174247436.db2.gz ZPDQVQSTHCMXSZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001662857429 1174247443 /nfs/dbraw/zinc/24/74/43/1174247443.db2.gz ZPDQVQSTHCMXSZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001662857429 1174247449 /nfs/dbraw/zinc/24/74/49/1174247449.db2.gz ZPDQVQSTHCMXSZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665676416 1174548511 /nfs/dbraw/zinc/54/85/11/1174548511.db2.gz KZUDHQYKQLMRLR-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665664682 1174548651 /nfs/dbraw/zinc/54/86/51/1174548651.db2.gz QOYUFEOQFJWDLS-GOEBONIOSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665664682 1174548658 /nfs/dbraw/zinc/54/86/58/1174548658.db2.gz QOYUFEOQFJWDLS-GOEBONIOSA-N 2 1 324.469 0.408 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001666563163 1174610413 /nfs/dbraw/zinc/61/04/13/1174610413.db2.gz IUZGYRMWAJBOHF-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001672009518 1175062296 /nfs/dbraw/zinc/06/22/96/1175062296.db2.gz ZXTLRBKRYMJUPZ-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001672009518 1175062303 /nfs/dbraw/zinc/06/23/03/1175062303.db2.gz ZXTLRBKRYMJUPZ-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001672018518 1175062632 /nfs/dbraw/zinc/06/26/32/1175062632.db2.gz GVEVVJGIGCXMHE-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001672018518 1175062638 /nfs/dbraw/zinc/06/26/38/1175062638.db2.gz GVEVVJGIGCXMHE-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001672018518 1175062641 /nfs/dbraw/zinc/06/26/41/1175062641.db2.gz GVEVVJGIGCXMHE-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC#CCOC)C1 ZINC001673924011 1175241758 /nfs/dbraw/zinc/24/17/58/1175241758.db2.gz SXKPJRWCSOJRHK-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001674074999 1175251604 /nfs/dbraw/zinc/25/16/04/1175251604.db2.gz FEYNXGCLUPNWRM-OAHLLOKOSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001675467439 1175359065 /nfs/dbraw/zinc/35/90/65/1175359065.db2.gz GKNVBEKNQJNCDP-CYBMUJFWSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001675467439 1175359069 /nfs/dbraw/zinc/35/90/69/1175359069.db2.gz GKNVBEKNQJNCDP-CYBMUJFWSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001677168205 1175542401 /nfs/dbraw/zinc/54/24/01/1175542401.db2.gz AQMJNWBMRQGDCI-IRXDYDNUSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001677168205 1175542406 /nfs/dbraw/zinc/54/24/06/1175542406.db2.gz AQMJNWBMRQGDCI-IRXDYDNUSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001677168205 1175542411 /nfs/dbraw/zinc/54/24/11/1175542411.db2.gz AQMJNWBMRQGDCI-IRXDYDNUSA-N 2 1 323.481 0.883 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001690004458 1177138984 /nfs/dbraw/zinc/13/89/84/1177138984.db2.gz URRBEPFXCUGSDV-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001690732423 1177314331 /nfs/dbraw/zinc/31/43/31/1177314331.db2.gz JRMRHVKXDNFAQQ-GJZGRUSLSA-N 2 1 300.406 0.825 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001692352169 1177491519 /nfs/dbraw/zinc/49/15/19/1177491519.db2.gz OQAXAJJZDAEKHT-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCO1 ZINC001699270839 1178012017 /nfs/dbraw/zinc/01/20/17/1178012017.db2.gz KDPVLQXVHAYCLE-RYTMFUSVSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCO1 ZINC001699270839 1178012025 /nfs/dbraw/zinc/01/20/25/1178012025.db2.gz KDPVLQXVHAYCLE-RYTMFUSVSA-N 2 1 319.449 0.915 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001700139985 1178491926 /nfs/dbraw/zinc/49/19/26/1178491926.db2.gz DJUAWTGUQRVLIK-UHFFFAOYSA-N 2 1 304.394 0.470 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700244189 1178551600 /nfs/dbraw/zinc/55/16/00/1178551600.db2.gz QMMQTUXQNIOVJG-KRWDZBQOSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001707208582 1180433219 /nfs/dbraw/zinc/43/32/19/1180433219.db2.gz LSDLVLUGVDSSRB-QGZVFWFLSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001707264371 1180450981 /nfs/dbraw/zinc/45/09/81/1180450981.db2.gz OVYHSLNUPOOXSS-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001707264371 1180450984 /nfs/dbraw/zinc/45/09/84/1180450984.db2.gz OVYHSLNUPOOXSS-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001707264371 1180450986 /nfs/dbraw/zinc/45/09/86/1180450986.db2.gz OVYHSLNUPOOXSS-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001707264371 1180450988 /nfs/dbraw/zinc/45/09/88/1180450988.db2.gz OVYHSLNUPOOXSS-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001713557696 1180920265 /nfs/dbraw/zinc/92/02/65/1180920265.db2.gz VOBHYJHKJFYXPD-KRWDZBQOSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714151780 1181265453 /nfs/dbraw/zinc/26/54/53/1181265453.db2.gz UJMBEXSSJXJSMB-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001714200857 1181279238 /nfs/dbraw/zinc/27/92/38/1181279238.db2.gz FHEMMOBKLQURKA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccns1 ZINC001714244120 1181293306 /nfs/dbraw/zinc/29/33/06/1181293306.db2.gz NQOUKJIMYCKCGH-HIFRSBDPSA-N 2 1 320.462 0.878 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccns1 ZINC001714244120 1181293311 /nfs/dbraw/zinc/29/33/11/1181293311.db2.gz NQOUKJIMYCKCGH-HIFRSBDPSA-N 2 1 320.462 0.878 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001714583790 1181426383 /nfs/dbraw/zinc/42/63/83/1181426383.db2.gz OXLGYBXOVFLNJN-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001714583790 1181426384 /nfs/dbraw/zinc/42/63/84/1181426384.db2.gz OXLGYBXOVFLNJN-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714640928 1181457002 /nfs/dbraw/zinc/45/70/02/1181457002.db2.gz DJQUFLDIEMJDLF-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714640928 1181457003 /nfs/dbraw/zinc/45/70/03/1181457003.db2.gz DJQUFLDIEMJDLF-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714640928 1181457006 /nfs/dbraw/zinc/45/70/06/1181457006.db2.gz DJQUFLDIEMJDLF-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001714884377 1181585918 /nfs/dbraw/zinc/58/59/18/1181585918.db2.gz YTJCUACTYVWFTF-GJZGRUSLSA-N 2 1 324.469 0.550 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001714908349 1181597253 /nfs/dbraw/zinc/59/72/53/1181597253.db2.gz NBCYYNDXIVDFQV-MRXNPFEDSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001714908349 1181597260 /nfs/dbraw/zinc/59/72/60/1181597260.db2.gz NBCYYNDXIVDFQV-MRXNPFEDSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714908349 1181597264 /nfs/dbraw/zinc/59/72/64/1181597264.db2.gz NBCYYNDXIVDFQV-MRXNPFEDSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccnn1C ZINC001715933447 1182107654 /nfs/dbraw/zinc/10/76/54/1182107654.db2.gz AASGLOOAXJLZOS-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccnn1C ZINC001715933447 1182107657 /nfs/dbraw/zinc/10/76/57/1182107657.db2.gz AASGLOOAXJLZOS-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716029498 1182153931 /nfs/dbraw/zinc/15/39/31/1182153931.db2.gz NGHYVLJYBCHFQS-ZFWWWQNUSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716029498 1182153932 /nfs/dbraw/zinc/15/39/32/1182153932.db2.gz NGHYVLJYBCHFQS-ZFWWWQNUSA-N 2 1 322.453 0.067 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCOC1 ZINC001716307486 1182322132 /nfs/dbraw/zinc/32/21/32/1182322132.db2.gz YIJCIYYAOHEAKQ-HFZJXRFXSA-N 2 1 305.422 0.383 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCOC1 ZINC001716307486 1182322138 /nfs/dbraw/zinc/32/21/38/1182322138.db2.gz YIJCIYYAOHEAKQ-HFZJXRFXSA-N 2 1 305.422 0.383 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001716407823 1182379041 /nfs/dbraw/zinc/37/90/41/1182379041.db2.gz ANFISZRYKHUHBA-RDBSUJKOSA-N 2 1 310.442 0.256 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCOCC)CC1 ZINC001716671895 1182489894 /nfs/dbraw/zinc/48/98/94/1182489894.db2.gz VGPANTXNMANJEX-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001716798608 1182528749 /nfs/dbraw/zinc/52/87/49/1182528749.db2.gz ZOXDSQRIEIFYKB-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001716798608 1182528744 /nfs/dbraw/zinc/52/87/44/1182528744.db2.gz ZOXDSQRIEIFYKB-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCOCC)C1 ZINC001716864536 1182553700 /nfs/dbraw/zinc/55/37/00/1182553700.db2.gz FQRSMWWORDBASC-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCOCC)C1 ZINC001716864536 1182553702 /nfs/dbraw/zinc/55/37/02/1182553702.db2.gz FQRSMWWORDBASC-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001716936297 1182590962 /nfs/dbraw/zinc/59/09/62/1182590962.db2.gz JJLLWSWHPYTTTF-OAHLLOKOSA-N 2 1 307.438 0.457 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCO1 ZINC001717172140 1182707933 /nfs/dbraw/zinc/70/79/33/1182707933.db2.gz FZCOTKIDZYQGNC-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCOCC1 ZINC001717267690 1182758111 /nfs/dbraw/zinc/75/81/11/1182758111.db2.gz XGDYROUXDLTDJL-HZPDHXFCSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001717324116 1182782342 /nfs/dbraw/zinc/78/23/42/1182782342.db2.gz ZPUOJUKTULEKGV-CVEARBPZSA-N 2 1 319.449 0.580 20 30 DCEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001717460109 1182839570 /nfs/dbraw/zinc/83/95/70/1182839570.db2.gz ZYZKEZMPNSFODX-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001717460109 1182839581 /nfs/dbraw/zinc/83/95/81/1182839581.db2.gz ZYZKEZMPNSFODX-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001717944636 1183083661 /nfs/dbraw/zinc/08/36/61/1183083661.db2.gz NBGAJVYYRZCWLT-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001723589712 1184330593 /nfs/dbraw/zinc/33/05/93/1184330593.db2.gz NKLWRIRWQIBFIM-LBPRGKRZSA-N 2 1 319.409 0.121 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001724172254 1184393705 /nfs/dbraw/zinc/39/37/05/1184393705.db2.gz BAYIKGSMPZHXEX-CZUORRHYSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001724172254 1184393707 /nfs/dbraw/zinc/39/37/07/1184393707.db2.gz BAYIKGSMPZHXEX-CZUORRHYSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001724173769 1184397545 /nfs/dbraw/zinc/39/75/45/1184397545.db2.gz MGIAODCDXKIUAP-RHSMWYFYSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001724212761 1184401831 /nfs/dbraw/zinc/40/18/31/1184401831.db2.gz BVSVQALGJKYUQV-JFIYKMOQSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001724343360 1184411318 /nfs/dbraw/zinc/41/13/18/1184411318.db2.gz QSCMLVPVJBECTA-GOSISDBHSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724402893 1184432276 /nfs/dbraw/zinc/43/22/76/1184432276.db2.gz UEFIBXLNIDIICD-GOSISDBHSA-N 2 1 319.449 0.439 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2C)C1 ZINC001724426202 1184440138 /nfs/dbraw/zinc/44/01/38/1184440138.db2.gz FHSWNSWIGBDJKS-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001724426202 1184440141 /nfs/dbraw/zinc/44/01/41/1184440141.db2.gz FHSWNSWIGBDJKS-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001724426202 1184440142 /nfs/dbraw/zinc/44/01/42/1184440142.db2.gz FHSWNSWIGBDJKS-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001724534898 1184460418 /nfs/dbraw/zinc/46/04/18/1184460418.db2.gz VRNFGAIWLOGOOZ-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001724629164 1184481247 /nfs/dbraw/zinc/48/12/47/1184481247.db2.gz DNBUPWHLBQOGNA-UHFFFAOYSA-N 2 1 324.469 0.065 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001724981435 1184644039 /nfs/dbraw/zinc/64/40/39/1184644039.db2.gz MCAWIWYOVOBBNR-MRXNPFEDSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001725289389 1184754633 /nfs/dbraw/zinc/75/46/33/1184754633.db2.gz BHNWCHNCYFVYRB-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001725289389 1184754639 /nfs/dbraw/zinc/75/46/39/1184754639.db2.gz BHNWCHNCYFVYRB-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001725289389 1184754643 /nfs/dbraw/zinc/75/46/43/1184754643.db2.gz BHNWCHNCYFVYRB-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001725289389 1184754649 /nfs/dbraw/zinc/75/46/49/1184754649.db2.gz BHNWCHNCYFVYRB-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731859668 1185533541 /nfs/dbraw/zinc/53/35/41/1185533541.db2.gz FKHRXVQXDMVOTM-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCN2CCOCC2)C1 ZINC001732040769 1185642785 /nfs/dbraw/zinc/64/27/85/1185642785.db2.gz LEWSJVAPJCQDIS-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCN1CC[C@@H](N(CCC)C(=O)CCN2CCOCC2)C1 ZINC001732040769 1185642800 /nfs/dbraw/zinc/64/28/00/1185642800.db2.gz LEWSJVAPJCQDIS-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001732058974 1185651396 /nfs/dbraw/zinc/65/13/96/1185651396.db2.gz DWKQYNBSRUEOCD-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH2+]CCN(CC)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001732775568 1185961521 /nfs/dbraw/zinc/96/15/21/1185961521.db2.gz CADFDHXDQXTOOF-HNNXBMFYSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CC[NH2+]CCN(CC)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001732775568 1185961527 /nfs/dbraw/zinc/96/15/27/1185961527.db2.gz CADFDHXDQXTOOF-HNNXBMFYSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CCOC1 ZINC001732859707 1186017790 /nfs/dbraw/zinc/01/77/90/1186017790.db2.gz JTZIHKVUCSOWDE-RYTMFUSVSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CCOC1 ZINC001732859707 1186017794 /nfs/dbraw/zinc/01/77/94/1186017794.db2.gz JTZIHKVUCSOWDE-RYTMFUSVSA-N 2 1 319.449 0.773 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001733041890 1186116484 /nfs/dbraw/zinc/11/64/84/1186116484.db2.gz JOKIXLZSGNNJKY-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CCOC)CC1 ZINC001733373658 1186244850 /nfs/dbraw/zinc/24/48/50/1186244850.db2.gz DRAISPLYUNZEGF-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001733444740 1186272699 /nfs/dbraw/zinc/27/26/99/1186272699.db2.gz FHOWCTOYPPVHSF-PBHICJAKSA-N 2 1 322.453 0.069 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001733491455 1186299015 /nfs/dbraw/zinc/29/90/15/1186299015.db2.gz TXRWCNWABWUNAI-INIZCTEOSA-N 2 1 306.410 0.780 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733491515 1186300834 /nfs/dbraw/zinc/30/08/34/1186300834.db2.gz ONYQAZOPGMKJAP-KRWDZBQOSA-N 2 1 309.454 0.541 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001733743461 1186427912 /nfs/dbraw/zinc/42/79/12/1186427912.db2.gz NQMHQIWUUGLCEF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001733757156 1186434406 /nfs/dbraw/zinc/43/44/06/1186434406.db2.gz GYVYQURGBMEUOY-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001733757156 1186434410 /nfs/dbraw/zinc/43/44/10/1186434410.db2.gz GYVYQURGBMEUOY-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001733757156 1186434412 /nfs/dbraw/zinc/43/44/12/1186434412.db2.gz GYVYQURGBMEUOY-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001733757156 1186434416 /nfs/dbraw/zinc/43/44/16/1186434416.db2.gz GYVYQURGBMEUOY-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC#CCOC ZINC001734039971 1186528077 /nfs/dbraw/zinc/52/80/77/1186528077.db2.gz VDMXHFRHLPNFPZ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC#CCOC ZINC001734039971 1186528079 /nfs/dbraw/zinc/52/80/79/1186528079.db2.gz VDMXHFRHLPNFPZ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC#CCOC ZINC001734039971 1186528080 /nfs/dbraw/zinc/52/80/80/1186528080.db2.gz VDMXHFRHLPNFPZ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001734252314 1186593377 /nfs/dbraw/zinc/59/33/77/1186593377.db2.gz GTCZAVZYIOEPJX-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCOC)C1CC1 ZINC001734296013 1186608940 /nfs/dbraw/zinc/60/89/40/1186608940.db2.gz OOJASTVBBPKHEY-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCOC)C1CC1 ZINC001734296013 1186608944 /nfs/dbraw/zinc/60/89/44/1186608944.db2.gz OOJASTVBBPKHEY-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001734363430 1186625117 /nfs/dbraw/zinc/62/51/17/1186625117.db2.gz YNYCEVMANAWSON-SJORKVTESA-N 2 1 315.417 0.199 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001752370472 1188418515 /nfs/dbraw/zinc/41/85/15/1188418515.db2.gz KSEYHNNXIDBQMM-UHFFFAOYSA-N 2 1 320.481 0.618 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001752526383 1188427125 /nfs/dbraw/zinc/42/71/25/1188427125.db2.gz UFOYDKJWTWHFJN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001752526383 1188427127 /nfs/dbraw/zinc/42/71/27/1188427127.db2.gz UFOYDKJWTWHFJN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001752526383 1188427128 /nfs/dbraw/zinc/42/71/28/1188427128.db2.gz UFOYDKJWTWHFJN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001752526383 1188427130 /nfs/dbraw/zinc/42/71/30/1188427130.db2.gz UFOYDKJWTWHFJN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001752733606 1188436322 /nfs/dbraw/zinc/43/63/22/1188436322.db2.gz USAPJHKVLZEYNH-QLFBSQMISA-N 2 1 322.453 0.400 20 30 DCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001752927094 1188463198 /nfs/dbraw/zinc/46/31/98/1188463198.db2.gz LKDUFGPHTFLSBT-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001752959330 1188468286 /nfs/dbraw/zinc/46/82/86/1188468286.db2.gz QICYVHAZLFIDCC-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001752973150 1188470307 /nfs/dbraw/zinc/47/03/07/1188470307.db2.gz FWFCLCYMUFPDNI-HOTGVXAUSA-N 2 1 318.421 0.858 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001753445823 1188598922 /nfs/dbraw/zinc/59/89/22/1188598922.db2.gz AYEIVTLQPRYPNC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001753445823 1188598924 /nfs/dbraw/zinc/59/89/24/1188598924.db2.gz AYEIVTLQPRYPNC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001753445823 1188598928 /nfs/dbraw/zinc/59/89/28/1188598928.db2.gz AYEIVTLQPRYPNC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001753445823 1188598931 /nfs/dbraw/zinc/59/89/31/1188598931.db2.gz AYEIVTLQPRYPNC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001753501806 1188610965 /nfs/dbraw/zinc/61/09/65/1188610965.db2.gz XQIYZBWDCMMQLM-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754322965 1188821342 /nfs/dbraw/zinc/82/13/42/1188821342.db2.gz GQKIIBZXAOLTQQ-ILXRZTDVSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754322965 1188821345 /nfs/dbraw/zinc/82/13/45/1188821345.db2.gz GQKIIBZXAOLTQQ-ILXRZTDVSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754322965 1188821348 /nfs/dbraw/zinc/82/13/48/1188821348.db2.gz GQKIIBZXAOLTQQ-ILXRZTDVSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754322965 1188821349 /nfs/dbraw/zinc/82/13/49/1188821349.db2.gz GQKIIBZXAOLTQQ-ILXRZTDVSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001754600992 1188887818 /nfs/dbraw/zinc/88/78/18/1188887818.db2.gz JWHIPSVUHDEGEP-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001754631407 1188893971 /nfs/dbraw/zinc/89/39/71/1188893971.db2.gz PWUNCGKVLNCCPS-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001754631407 1188893978 /nfs/dbraw/zinc/89/39/78/1188893978.db2.gz PWUNCGKVLNCCPS-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCOCC1 ZINC001754740759 1188914850 /nfs/dbraw/zinc/91/48/50/1188914850.db2.gz MYLVKSFVIQQEGK-UHFFFAOYSA-N 2 1 311.426 0.150 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001755332536 1189084173 /nfs/dbraw/zinc/08/41/73/1189084173.db2.gz CWJCKHYUIBIQQP-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001755333167 1189084681 /nfs/dbraw/zinc/08/46/81/1189084681.db2.gz ZFABWMVFKYLZEL-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001755479026 1189122773 /nfs/dbraw/zinc/12/27/73/1189122773.db2.gz ZDOJJSVGSGBPOV-KKUMJFAQSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755587641 1189153381 /nfs/dbraw/zinc/15/33/81/1189153381.db2.gz IBLLOMYVVVLCGZ-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CCOC ZINC001755841650 1189233396 /nfs/dbraw/zinc/23/33/96/1189233396.db2.gz RTNXICBLOIDCKZ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CCOC ZINC001755841650 1189233399 /nfs/dbraw/zinc/23/33/99/1189233399.db2.gz RTNXICBLOIDCKZ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001755865595 1189239469 /nfs/dbraw/zinc/23/94/69/1189239469.db2.gz JWUKQQMOONBMGQ-NFOMZHRRSA-N 2 1 324.469 0.596 20 30 DCEDMP CC(C)c1noc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000304506430 1190373133 /nfs/dbraw/zinc/37/31/33/1190373133.db2.gz SJQNGSOIVYCASK-UHFFFAOYSA-N 2 1 324.429 0.362 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047596711 751890415 /nfs/dbraw/zinc/89/04/15/751890415.db2.gz YAWJJEIGLYVOHL-PMPSAXMXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047596711 751890425 /nfs/dbraw/zinc/89/04/25/751890425.db2.gz YAWJJEIGLYVOHL-PMPSAXMXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047596711 751890434 /nfs/dbraw/zinc/89/04/34/751890434.db2.gz YAWJJEIGLYVOHL-PMPSAXMXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001083224618 747302180 /nfs/dbraw/zinc/30/21/80/747302180.db2.gz IWYSDKWOOGOPQJ-JKSUJKDBSA-N 2 1 323.437 0.196 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001083224618 747302188 /nfs/dbraw/zinc/30/21/88/747302188.db2.gz IWYSDKWOOGOPQJ-JKSUJKDBSA-N 2 1 323.437 0.196 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)O)[C@@H]2CC)CC1 ZINC001087840005 749077871 /nfs/dbraw/zinc/07/78/71/749077871.db2.gz CVCBEYFFSJZLFT-BHYGNILZSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCOC)CC[C@@H]2C1 ZINC001087997844 749184720 /nfs/dbraw/zinc/18/47/20/749184720.db2.gz BXWJHDQUNSOMIM-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOC)CC[C@@H]2C1 ZINC001087997844 749184722 /nfs/dbraw/zinc/18/47/22/749184722.db2.gz BXWJHDQUNSOMIM-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOC)CC[C@@H]2C1 ZINC001087997844 749184725 /nfs/dbraw/zinc/18/47/25/749184725.db2.gz BXWJHDQUNSOMIM-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOC)CC[C@@H]2C1 ZINC001087997844 749184729 /nfs/dbraw/zinc/18/47/29/749184729.db2.gz BXWJHDQUNSOMIM-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042883 749205231 /nfs/dbraw/zinc/20/52/31/749205231.db2.gz NAAMSMIPHIBLHY-CVEARBPZSA-N 2 1 300.406 0.995 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042883 749205233 /nfs/dbraw/zinc/20/52/33/749205233.db2.gz NAAMSMIPHIBLHY-CVEARBPZSA-N 2 1 300.406 0.995 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001203431373 749858164 /nfs/dbraw/zinc/85/81/64/749858164.db2.gz DUMANGKWBOYRKU-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168363785 750076290 /nfs/dbraw/zinc/07/62/90/750076290.db2.gz VNUWXQCSNITVOE-UHFFFAOYSA-N 2 1 306.410 0.717 20 30 DCEDMP C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCc3nccn32)[C@@H](O)C1 ZINC001083522511 750091860 /nfs/dbraw/zinc/09/18/60/750091860.db2.gz KFBNGJBNENDCSH-RDBSUJKOSA-N 2 1 304.394 0.498 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524810 750096446 /nfs/dbraw/zinc/09/64/46/750096446.db2.gz KZSGWHDLIGMWMF-XHSDSOJGSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524810 750096452 /nfs/dbraw/zinc/09/64/52/750096452.db2.gz KZSGWHDLIGMWMF-XHSDSOJGSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524810 750096457 /nfs/dbraw/zinc/09/64/57/750096457.db2.gz KZSGWHDLIGMWMF-XHSDSOJGSA-N 2 1 309.454 0.987 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563286 750199870 /nfs/dbraw/zinc/19/98/70/750199870.db2.gz HSQQIIUSLOTPHQ-CABCVRRESA-N 2 1 305.422 0.047 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132187 750217983 /nfs/dbraw/zinc/21/79/83/750217983.db2.gz RJFQEXVCCAWNFG-ARFHVFGLSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132187 750217986 /nfs/dbraw/zinc/21/79/86/750217986.db2.gz RJFQEXVCCAWNFG-ARFHVFGLSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132187 750217990 /nfs/dbraw/zinc/21/79/90/750217990.db2.gz RJFQEXVCCAWNFG-ARFHVFGLSA-N 2 1 309.454 0.987 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132401 750218043 /nfs/dbraw/zinc/21/80/43/750218043.db2.gz WZSQPFHMSNILDD-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132401 750218046 /nfs/dbraw/zinc/21/80/46/750218046.db2.gz WZSQPFHMSNILDD-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132401 750218049 /nfs/dbraw/zinc/21/80/49/750218049.db2.gz WZSQPFHMSNILDD-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077132401 750218050 /nfs/dbraw/zinc/21/80/50/750218050.db2.gz WZSQPFHMSNILDD-BZUAXINKSA-N 2 1 307.438 0.434 20 30 DCEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046008923 750821598 /nfs/dbraw/zinc/82/15/98/750821598.db2.gz BSHUAFOYJAQLPH-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046008923 750821601 /nfs/dbraw/zinc/82/16/01/750821601.db2.gz BSHUAFOYJAQLPH-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046008923 750821607 /nfs/dbraw/zinc/82/16/07/750821607.db2.gz BSHUAFOYJAQLPH-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077844176 752789622 /nfs/dbraw/zinc/78/96/22/752789622.db2.gz YYXBGOHEOBNCST-HZPDHXFCSA-N 2 1 303.406 0.709 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077844176 752789624 /nfs/dbraw/zinc/78/96/24/752789624.db2.gz YYXBGOHEOBNCST-HZPDHXFCSA-N 2 1 303.406 0.709 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078230657 753125254 /nfs/dbraw/zinc/12/52/54/753125254.db2.gz LNYVQAKUWVGICE-HZPDHXFCSA-N 2 1 303.406 0.709 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078230657 753125258 /nfs/dbraw/zinc/12/52/58/753125258.db2.gz LNYVQAKUWVGICE-HZPDHXFCSA-N 2 1 303.406 0.709 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444255 753196909 /nfs/dbraw/zinc/19/69/09/753196909.db2.gz FVPOGSGAIWDWQT-HOTGVXAUSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501017 753752474 /nfs/dbraw/zinc/75/24/74/753752474.db2.gz HHIGPMKAGDIDQR-AUCMRZJMSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501017 753752480 /nfs/dbraw/zinc/75/24/80/753752480.db2.gz HHIGPMKAGDIDQR-AUCMRZJMSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501017 753752482 /nfs/dbraw/zinc/75/24/82/753752482.db2.gz HHIGPMKAGDIDQR-AUCMRZJMSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501018 753753114 /nfs/dbraw/zinc/75/31/14/753753114.db2.gz HHIGPMKAGDIDQR-CQDXFGNVSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501018 753753120 /nfs/dbraw/zinc/75/31/20/753753120.db2.gz HHIGPMKAGDIDQR-CQDXFGNVSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501018 753753125 /nfs/dbraw/zinc/75/31/25/753753125.db2.gz HHIGPMKAGDIDQR-CQDXFGNVSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001044335775 753806760 /nfs/dbraw/zinc/80/67/60/753806760.db2.gz OGTJRRLNOSASRA-CQSZACIVSA-N 2 1 307.438 0.509 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466621 762299827 /nfs/dbraw/zinc/29/98/27/762299827.db2.gz OTSLCYVUBQGILV-UHFFFAOYSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090260640 754821602 /nfs/dbraw/zinc/82/16/02/754821602.db2.gz IVHWHFOYJLBUJY-CVEARBPZSA-N 2 1 321.465 0.826 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833484 754967854 /nfs/dbraw/zinc/96/78/54/754967854.db2.gz PLGBNDIALVFHFD-TWMKSMIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833484 754967855 /nfs/dbraw/zinc/96/78/55/754967855.db2.gz PLGBNDIALVFHFD-TWMKSMIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833484 754967856 /nfs/dbraw/zinc/96/78/56/754967856.db2.gz PLGBNDIALVFHFD-TWMKSMIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCOC)C[C@@H]2C1 ZINC001048869966 754988156 /nfs/dbraw/zinc/98/81/56/754988156.db2.gz JKVHAGYXQSRJMF-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOC)C[C@@H]2C1 ZINC001048869966 754988159 /nfs/dbraw/zinc/98/81/59/754988159.db2.gz JKVHAGYXQSRJMF-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOC)C[C@@H]2C1 ZINC001048869966 754988163 /nfs/dbraw/zinc/98/81/63/754988163.db2.gz JKVHAGYXQSRJMF-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOC)C[C@@H]2C1 ZINC001048869966 754988166 /nfs/dbraw/zinc/98/81/66/754988166.db2.gz JKVHAGYXQSRJMF-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC#C)C2)CC1 ZINC001072099176 762355873 /nfs/dbraw/zinc/35/58/73/762355873.db2.gz NDVKZLCQTIKLHA-NVXWUHKLSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005864 755069276 /nfs/dbraw/zinc/06/92/76/755069276.db2.gz GNDWCGJETVIFOC-OWCLPIDISA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005864 755069280 /nfs/dbraw/zinc/06/92/80/755069280.db2.gz GNDWCGJETVIFOC-OWCLPIDISA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005864 755069282 /nfs/dbraw/zinc/06/92/82/755069282.db2.gz GNDWCGJETVIFOC-OWCLPIDISA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005864 755069284 /nfs/dbraw/zinc/06/92/84/755069284.db2.gz GNDWCGJETVIFOC-OWCLPIDISA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)O)CC1 ZINC001096608281 755459426 /nfs/dbraw/zinc/45/94/26/755459426.db2.gz UMHWMOCFXOYSEW-ORQFMDKSSA-N 2 1 319.449 0.434 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090355717 755666046 /nfs/dbraw/zinc/66/60/46/755666046.db2.gz RHXLGNFZTUYOIO-HZPDHXFCSA-N 2 1 319.449 0.437 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717388 755977597 /nfs/dbraw/zinc/97/75/97/755977597.db2.gz GEDIBTJBXQPAID-GDBMZVCRSA-N 2 1 317.437 0.518 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080164640 756118668 /nfs/dbraw/zinc/11/86/68/756118668.db2.gz LAAZMLOARWJRPR-QVCPJDEESA-N 2 1 305.422 0.472 20 30 DCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080164640 756118673 /nfs/dbraw/zinc/11/86/73/756118673.db2.gz LAAZMLOARWJRPR-QVCPJDEESA-N 2 1 305.422 0.472 20 30 DCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080164640 756118675 /nfs/dbraw/zinc/11/86/75/756118675.db2.gz LAAZMLOARWJRPR-QVCPJDEESA-N 2 1 305.422 0.472 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001081893243 756863217 /nfs/dbraw/zinc/86/32/17/756863217.db2.gz HRBOXTQZYIOTIN-HUUCEWRRSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001081893243 756863220 /nfs/dbraw/zinc/86/32/20/756863220.db2.gz HRBOXTQZYIOTIN-HUUCEWRRSA-N 2 1 305.422 0.454 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653657 757214551 /nfs/dbraw/zinc/21/45/51/757214551.db2.gz WQAXUZOSGZQLHV-RJZXRHAOSA-N 2 1 305.422 0.472 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001082742612 757253269 /nfs/dbraw/zinc/25/32/69/757253269.db2.gz LZCHPEBLOBUTPP-XNRPHZJLSA-N 2 1 300.406 0.824 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084351447 757798612 /nfs/dbraw/zinc/79/86/12/757798612.db2.gz OBBAYELHEHODEN-GDBMZVCRSA-N 2 1 317.437 0.777 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001085094185 758206445 /nfs/dbraw/zinc/20/64/45/758206445.db2.gz FTJLDNCXQIVYMX-ZACQAIPSSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001052037631 759132573 /nfs/dbraw/zinc/13/25/73/759132573.db2.gz OONIXPRBOUNEQS-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001052037631 759132578 /nfs/dbraw/zinc/13/25/78/759132578.db2.gz OONIXPRBOUNEQS-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001052043178 759137538 /nfs/dbraw/zinc/13/75/38/759137538.db2.gz QSZDWKAKLFUCQV-HZPDHXFCSA-N 2 1 308.470 0.731 20 30 DCEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052116958 759189155 /nfs/dbraw/zinc/18/91/55/759189155.db2.gz CDVRGJAXJKIHCM-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052116958 759189158 /nfs/dbraw/zinc/18/91/58/759189158.db2.gz CDVRGJAXJKIHCM-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117600 759191170 /nfs/dbraw/zinc/19/11/70/759191170.db2.gz VAFIZHNFYVZKCC-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731918 759247142 /nfs/dbraw/zinc/24/71/42/759247142.db2.gz NIJPEQOKZAEPTJ-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731918 759247148 /nfs/dbraw/zinc/24/71/48/759247148.db2.gz NIJPEQOKZAEPTJ-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731918 759247153 /nfs/dbraw/zinc/24/71/53/759247153.db2.gz NIJPEQOKZAEPTJ-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731918 759247157 /nfs/dbraw/zinc/24/71/57/759247157.db2.gz NIJPEQOKZAEPTJ-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001098408406 759731998 /nfs/dbraw/zinc/73/19/98/759731998.db2.gz TXYKYXSBJRTDSC-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098408406 759732004 /nfs/dbraw/zinc/73/20/04/759732004.db2.gz TXYKYXSBJRTDSC-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098408406 759732012 /nfs/dbraw/zinc/73/20/12/759732012.db2.gz TXYKYXSBJRTDSC-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930471 760980193 /nfs/dbraw/zinc/98/01/93/760980193.db2.gz KQXVPCHHFCKBCI-TUVASFSCSA-N 2 1 318.425 0.146 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930471 760980199 /nfs/dbraw/zinc/98/01/99/760980199.db2.gz KQXVPCHHFCKBCI-TUVASFSCSA-N 2 1 318.425 0.146 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930471 760980203 /nfs/dbraw/zinc/98/02/03/760980203.db2.gz KQXVPCHHFCKBCI-TUVASFSCSA-N 2 1 318.425 0.146 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930471 760980205 /nfs/dbraw/zinc/98/02/05/760980205.db2.gz KQXVPCHHFCKBCI-TUVASFSCSA-N 2 1 318.425 0.146 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123656356 768014562 /nfs/dbraw/zinc/01/45/62/768014562.db2.gz ROUNUGJPKKHCPY-ZBFHGGJFSA-N 2 1 323.485 0.570 20 30 DCEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070400526 761213292 /nfs/dbraw/zinc/21/32/92/761213292.db2.gz ZZECDKVDFHPQQN-UKRRQHHQSA-N 2 1 315.421 0.543 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400526 761213300 /nfs/dbraw/zinc/21/33/00/761213300.db2.gz ZZECDKVDFHPQQN-UKRRQHHQSA-N 2 1 315.421 0.543 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400526 761213305 /nfs/dbraw/zinc/21/33/05/761213305.db2.gz ZZECDKVDFHPQQN-UKRRQHHQSA-N 2 1 315.421 0.543 20 30 DCEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070435231 761236573 /nfs/dbraw/zinc/23/65/73/761236573.db2.gz AFEPOKCUCDYEQD-KBPBESRZSA-N 2 1 317.437 0.953 20 30 DCEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070435231 761236578 /nfs/dbraw/zinc/23/65/78/761236578.db2.gz AFEPOKCUCDYEQD-KBPBESRZSA-N 2 1 317.437 0.953 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070435231 761236580 /nfs/dbraw/zinc/23/65/80/761236580.db2.gz AFEPOKCUCDYEQD-KBPBESRZSA-N 2 1 317.437 0.953 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC#C)C[C@]2(C)C1 ZINC001091749262 768037082 /nfs/dbraw/zinc/03/70/82/768037082.db2.gz HAWHJWSLSBFCTA-AOIWGVFYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC#C)C[C@]2(C)C1 ZINC001091749262 768037086 /nfs/dbraw/zinc/03/70/86/768037086.db2.gz HAWHJWSLSBFCTA-AOIWGVFYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C[C@]2(C)C1 ZINC001091749262 768037090 /nfs/dbraw/zinc/03/70/90/768037090.db2.gz HAWHJWSLSBFCTA-AOIWGVFYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C[C@]2(C)C1 ZINC001091749262 768037094 /nfs/dbraw/zinc/03/70/94/768037094.db2.gz HAWHJWSLSBFCTA-AOIWGVFYSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123694271 768044422 /nfs/dbraw/zinc/04/44/22/768044422.db2.gz JCBPQDGGQBUXDC-GDBMZVCRSA-N 2 1 321.469 0.018 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131767 761517821 /nfs/dbraw/zinc/51/78/21/761517821.db2.gz ILDRZEKDAKSOGL-CABCVRRESA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131767 761517827 /nfs/dbraw/zinc/51/78/27/761517827.db2.gz ILDRZEKDAKSOGL-CABCVRRESA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131767 761517833 /nfs/dbraw/zinc/51/78/33/761517833.db2.gz ILDRZEKDAKSOGL-CABCVRRESA-N 2 1 313.442 0.081 20 30 DCEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001099310884 762862120 /nfs/dbraw/zinc/86/21/20/762862120.db2.gz VDFUYMSIUUEAJT-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#CCOC)C[C@H]32)CC[N@H+]1C ZINC001114304322 762928444 /nfs/dbraw/zinc/92/84/44/762928444.db2.gz OTCORKMOZBBOGX-FIDHJVLJSA-N 2 1 319.449 0.413 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#CCOC)C[C@H]32)CC[NH+]1C ZINC001114304322 762928448 /nfs/dbraw/zinc/92/84/48/762928448.db2.gz OTCORKMOZBBOGX-FIDHJVLJSA-N 2 1 319.449 0.413 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#CCOC)C[C@H]32)CC[NH+]1C ZINC001114304322 762928451 /nfs/dbraw/zinc/92/84/51/762928451.db2.gz OTCORKMOZBBOGX-FIDHJVLJSA-N 2 1 319.449 0.413 20 30 DCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685428 762987950 /nfs/dbraw/zinc/98/79/50/762987950.db2.gz RLXHRVXMSBKHQV-KFWWJZLASA-N 2 1 318.425 0.290 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130192074 763169843 /nfs/dbraw/zinc/16/98/43/763169843.db2.gz GCUOIFGXMMAOPB-KGLIPLIRSA-N 2 1 308.426 0.011 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972463 763177785 /nfs/dbraw/zinc/17/77/85/763177785.db2.gz WYLXALVJOYOZGO-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130412459 763291444 /nfs/dbraw/zinc/29/14/44/763291444.db2.gz RWFUMEFSLMXSOW-CQSZACIVSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100402027 763552615 /nfs/dbraw/zinc/55/26/15/763552615.db2.gz PFGNJMDEIPGYDK-UYSNPLJNSA-N 2 1 317.437 0.321 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001100458897 763589606 /nfs/dbraw/zinc/58/96/06/763589606.db2.gz LNLKHJLQRCMWHA-UHFFFAOYSA-N 2 1 324.469 0.503 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100872795 763835223 /nfs/dbraw/zinc/83/52/23/763835223.db2.gz JYVXNSDYJJCBQX-QQFBHYJXSA-N 2 1 307.438 0.462 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101037751 763932566 /nfs/dbraw/zinc/93/25/66/763932566.db2.gz VUBZERSCFDQQTF-NFOMZHRRSA-N 2 1 324.469 0.502 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131682653 763934998 /nfs/dbraw/zinc/93/49/98/763934998.db2.gz RHLQAZTVWURTHF-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815585 764345925 /nfs/dbraw/zinc/34/59/25/764345925.db2.gz LTSWWBIGAKGHSU-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815585 764345933 /nfs/dbraw/zinc/34/59/33/764345933.db2.gz LTSWWBIGAKGHSU-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815585 764345941 /nfs/dbraw/zinc/34/59/41/764345941.db2.gz LTSWWBIGAKGHSU-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844363 764370960 /nfs/dbraw/zinc/37/09/60/764370960.db2.gz XIZSQGOUJRQPMP-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844363 764370968 /nfs/dbraw/zinc/37/09/68/764370968.db2.gz XIZSQGOUJRQPMP-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844363 764370976 /nfs/dbraw/zinc/37/09/76/764370976.db2.gz XIZSQGOUJRQPMP-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844363 764370985 /nfs/dbraw/zinc/37/09/85/764370985.db2.gz XIZSQGOUJRQPMP-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132359518 764415885 /nfs/dbraw/zinc/41/58/85/764415885.db2.gz MPBZVTZRZHAYLS-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132359518 764415899 /nfs/dbraw/zinc/41/58/99/764415899.db2.gz MPBZVTZRZHAYLS-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132377190 764428093 /nfs/dbraw/zinc/42/80/93/764428093.db2.gz URMIXQBHTUWKRD-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132377190 764428098 /nfs/dbraw/zinc/42/80/98/764428098.db2.gz URMIXQBHTUWKRD-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132441285 764462286 /nfs/dbraw/zinc/46/22/86/764462286.db2.gz MWSVPMQKTKEUTK-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132441285 764462291 /nfs/dbraw/zinc/46/22/91/764462291.db2.gz MWSVPMQKTKEUTK-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132441285 764462294 /nfs/dbraw/zinc/46/22/94/764462294.db2.gz MWSVPMQKTKEUTK-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132441285 764462300 /nfs/dbraw/zinc/46/23/00/764462300.db2.gz MWSVPMQKTKEUTK-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132517282 764487833 /nfs/dbraw/zinc/48/78/33/764487833.db2.gz AOEAVQAFHCUQHX-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132517282 764487838 /nfs/dbraw/zinc/48/78/38/764487838.db2.gz AOEAVQAFHCUQHX-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132517282 764487843 /nfs/dbraw/zinc/48/78/43/764487843.db2.gz AOEAVQAFHCUQHX-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132517282 764487848 /nfs/dbraw/zinc/48/78/48/764487848.db2.gz AOEAVQAFHCUQHX-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469218 764653782 /nfs/dbraw/zinc/65/37/82/764653782.db2.gz WLXGQZJDKGUBKC-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469218 764653785 /nfs/dbraw/zinc/65/37/85/764653785.db2.gz WLXGQZJDKGUBKC-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515124 764677316 /nfs/dbraw/zinc/67/73/16/764677316.db2.gz FMEZYELACKDUOY-HZPDHXFCSA-N 2 1 319.449 0.416 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133166331 764855538 /nfs/dbraw/zinc/85/55/38/764855538.db2.gz SROLXZGGXDYLHS-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136391 764957224 /nfs/dbraw/zinc/95/72/24/764957224.db2.gz AUBRXDGMQAQFAG-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136391 764957230 /nfs/dbraw/zinc/95/72/30/764957230.db2.gz AUBRXDGMQAQFAG-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103136391 764957236 /nfs/dbraw/zinc/95/72/36/764957236.db2.gz AUBRXDGMQAQFAG-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103136391 764957242 /nfs/dbraw/zinc/95/72/42/764957242.db2.gz AUBRXDGMQAQFAG-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857932 765407853 /nfs/dbraw/zinc/40/78/53/765407853.db2.gz GBHSMBNBQZSCSV-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291528 765494053 /nfs/dbraw/zinc/49/40/53/765494053.db2.gz OKXICJSFRZTXDX-UXLLHSPISA-N 2 1 307.438 0.721 20 30 DCEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291528 765494059 /nfs/dbraw/zinc/49/40/59/765494059.db2.gz OKXICJSFRZTXDX-UXLLHSPISA-N 2 1 307.438 0.721 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112404285 765526341 /nfs/dbraw/zinc/52/63/41/765526341.db2.gz RCWVICBWFUKFPC-BQFCYCMXSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112404285 765526347 /nfs/dbraw/zinc/52/63/47/765526347.db2.gz RCWVICBWFUKFPC-BQFCYCMXSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115461971 765741510 /nfs/dbraw/zinc/74/15/10/765741510.db2.gz LRMWZRJXSGZEOX-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115461971 765741517 /nfs/dbraw/zinc/74/15/17/765741517.db2.gz LRMWZRJXSGZEOX-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090610921 766373357 /nfs/dbraw/zinc/37/33/57/766373357.db2.gz WTKXODCAMGFVHG-CVEARBPZSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC)C[C@H]2O)CC1 ZINC001090830879 766648919 /nfs/dbraw/zinc/64/89/19/766648919.db2.gz QDYQWSVSYNJVDP-JKSUJKDBSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCO ZINC001171308855 767767916 /nfs/dbraw/zinc/76/79/16/767767916.db2.gz XXYBTXFKCOAVIN-CVEARBPZSA-N 2 1 309.454 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCO ZINC001171308855 767767922 /nfs/dbraw/zinc/76/79/22/767767922.db2.gz XXYBTXFKCOAVIN-CVEARBPZSA-N 2 1 309.454 0.731 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001125214408 768374857 /nfs/dbraw/zinc/37/48/57/768374857.db2.gz SNIXLUBWOAABHU-HNNXBMFYSA-N 2 1 320.368 0.234 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001125214408 768374866 /nfs/dbraw/zinc/37/48/66/768374866.db2.gz SNIXLUBWOAABHU-HNNXBMFYSA-N 2 1 320.368 0.234 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761163 769180535 /nfs/dbraw/zinc/18/05/35/769180535.db2.gz KFQVXICBNSJTLU-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761163 769180542 /nfs/dbraw/zinc/18/05/42/769180542.db2.gz KFQVXICBNSJTLU-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176685601 770153897 /nfs/dbraw/zinc/15/38/97/770153897.db2.gz GEKBHPQJYIWVPS-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176685601 770153900 /nfs/dbraw/zinc/15/39/00/770153900.db2.gz GEKBHPQJYIWVPS-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)O ZINC001178722901 770832709 /nfs/dbraw/zinc/83/27/09/770832709.db2.gz UATPVBDYMSDCHR-CVEARBPZSA-N 2 1 309.454 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)O ZINC001178722901 770832719 /nfs/dbraw/zinc/83/27/19/770832719.db2.gz UATPVBDYMSDCHR-CVEARBPZSA-N 2 1 309.454 0.731 20 30 DCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001179371140 771000126 /nfs/dbraw/zinc/00/01/26/771000126.db2.gz KDJSOCAEXSPHPX-MRXNPFEDSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001179983134 771043239 /nfs/dbraw/zinc/04/32/39/771043239.db2.gz MCRQFNDSLKFUKT-KKUMJFAQSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369451 771114253 /nfs/dbraw/zinc/11/42/53/771114253.db2.gz GSBOISFPBNMXSI-UHFFFAOYSA-N 2 1 324.469 0.342 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001183040601 771596147 /nfs/dbraw/zinc/59/61/47/771596147.db2.gz UNUGRFDFZIUSDJ-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249265 771628386 /nfs/dbraw/zinc/62/83/86/771628386.db2.gz FTXBWTVUQJUMHA-CABCVRRESA-N 2 1 303.410 0.027 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001183361339 771639265 /nfs/dbraw/zinc/63/92/65/771639265.db2.gz QRGGFAUWRVQKOK-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001183361339 771639268 /nfs/dbraw/zinc/63/92/68/771639268.db2.gz QRGGFAUWRVQKOK-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185303998 771901975 /nfs/dbraw/zinc/90/19/75/771901975.db2.gz AGRPLTDCRJKENX-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001160196438 772006629 /nfs/dbraw/zinc/00/66/29/772006629.db2.gz SFHLUHJYMQZYGH-IRXDYDNUSA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001160196438 772006632 /nfs/dbraw/zinc/00/66/32/772006632.db2.gz SFHLUHJYMQZYGH-IRXDYDNUSA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001160196438 772006634 /nfs/dbraw/zinc/00/66/34/772006634.db2.gz SFHLUHJYMQZYGH-IRXDYDNUSA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001160209340 772008894 /nfs/dbraw/zinc/00/88/94/772008894.db2.gz IOPUCSQLWXABJR-CVEARBPZSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001160209340 772008899 /nfs/dbraw/zinc/00/88/99/772008899.db2.gz IOPUCSQLWXABJR-CVEARBPZSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001186362373 772033575 /nfs/dbraw/zinc/03/35/75/772033575.db2.gz LCCWFTNDDMRHMM-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)(COC)CC1 ZINC001162481792 772378670 /nfs/dbraw/zinc/37/86/70/772378670.db2.gz FTWCOMRKJVZNHD-HOTGVXAUSA-N 2 1 321.465 0.662 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148859 772590308 /nfs/dbraw/zinc/59/03/08/772590308.db2.gz KRBHIWQFTMHQQB-ARFHVFGLSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148859 772590317 /nfs/dbraw/zinc/59/03/17/772590317.db2.gz KRBHIWQFTMHQQB-ARFHVFGLSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148859 772590321 /nfs/dbraw/zinc/59/03/21/772590321.db2.gz KRBHIWQFTMHQQB-ARFHVFGLSA-N 2 1 307.438 0.673 20 30 DCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191067988 772715259 /nfs/dbraw/zinc/71/52/59/772715259.db2.gz AKLVJISPZQCNPH-ZDUSSCGKSA-N 2 1 304.394 0.906 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191067988 772715262 /nfs/dbraw/zinc/71/52/62/772715262.db2.gz AKLVJISPZQCNPH-ZDUSSCGKSA-N 2 1 304.394 0.906 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430188 772767464 /nfs/dbraw/zinc/76/74/64/772767464.db2.gz CCJVWPJZHMVKSM-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001191430188 772767466 /nfs/dbraw/zinc/76/74/66/772767466.db2.gz CCJVWPJZHMVKSM-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191430188 772767469 /nfs/dbraw/zinc/76/74/69/772767469.db2.gz CCJVWPJZHMVKSM-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193641978 773093602 /nfs/dbraw/zinc/09/36/02/773093602.db2.gz JZAGVIUHQWXJOB-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193641978 773093605 /nfs/dbraw/zinc/09/36/05/773093605.db2.gz JZAGVIUHQWXJOB-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193641978 773093609 /nfs/dbraw/zinc/09/36/09/773093609.db2.gz JZAGVIUHQWXJOB-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550985 773235663 /nfs/dbraw/zinc/23/56/63/773235663.db2.gz PWBXJKGWKZVMPK-FVQBIDKESA-N 2 1 307.438 0.413 20 30 DCEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208330749 773435098 /nfs/dbraw/zinc/43/50/98/773435098.db2.gz DQPQBIKAVNCKCR-HOTGVXAUSA-N 2 1 319.453 0.970 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCOC)C1 ZINC001208352437 773440435 /nfs/dbraw/zinc/44/04/35/773440435.db2.gz FGHVWYABALHQPB-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCOC)C1 ZINC001208352437 773440438 /nfs/dbraw/zinc/44/04/38/773440438.db2.gz FGHVWYABALHQPB-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496555 773479923 /nfs/dbraw/zinc/47/99/23/773479923.db2.gz ZITBPLLUBXMENH-HZSPNIEDSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496555 773479924 /nfs/dbraw/zinc/47/99/24/773479924.db2.gz ZITBPLLUBXMENH-HZSPNIEDSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158921 773707417 /nfs/dbraw/zinc/70/74/17/773707417.db2.gz YQGMWGFMJMACON-CVEARBPZSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158921 773707420 /nfs/dbraw/zinc/70/74/20/773707420.db2.gz YQGMWGFMJMACON-CVEARBPZSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158921 773707422 /nfs/dbraw/zinc/70/74/22/773707422.db2.gz YQGMWGFMJMACON-CVEARBPZSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158924 773707622 /nfs/dbraw/zinc/70/76/22/773707622.db2.gz YQGMWGFMJMACON-HOTGVXAUSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158924 773707626 /nfs/dbraw/zinc/70/76/26/773707626.db2.gz YQGMWGFMJMACON-HOTGVXAUSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158924 773707629 /nfs/dbraw/zinc/70/76/29/773707629.db2.gz YQGMWGFMJMACON-HOTGVXAUSA-N 2 1 309.454 0.921 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197690718 773784668 /nfs/dbraw/zinc/78/46/68/773784668.db2.gz XGTKTQSWLJWJEV-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197690718 773784671 /nfs/dbraw/zinc/78/46/71/773784671.db2.gz XGTKTQSWLJWJEV-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CCCO1 ZINC001201924761 774571525 /nfs/dbraw/zinc/57/15/25/774571525.db2.gz UCYOEGODOQWRAT-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740915 774906496 /nfs/dbraw/zinc/90/64/96/774906496.db2.gz XGTKTQSWLJWJEV-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740915 774906501 /nfs/dbraw/zinc/90/65/01/774906501.db2.gz XGTKTQSWLJWJEV-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221072964 774989920 /nfs/dbraw/zinc/98/99/20/774989920.db2.gz AAMCYTWITAEOKQ-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001222641401 775405947 /nfs/dbraw/zinc/40/59/47/775405947.db2.gz LARBXQILCHVJJR-HNNXBMFYSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114768998 776110882 /nfs/dbraw/zinc/11/08/82/776110882.db2.gz ATPZZGMTQDYTQA-ZSHCYNCHSA-N 2 1 307.438 0.577 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001229185902 776168064 /nfs/dbraw/zinc/16/80/64/776168064.db2.gz QEHBYRBQKNWEIM-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001229186723 776168361 /nfs/dbraw/zinc/16/83/61/776168361.db2.gz YRZLUZPKPNOUGQ-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001229186723 776168364 /nfs/dbraw/zinc/16/83/64/776168364.db2.gz YRZLUZPKPNOUGQ-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114852996 776252944 /nfs/dbraw/zinc/25/29/44/776252944.db2.gz WMIFPMUDIWMDDZ-AIANPOQGSA-N 2 1 305.422 0.167 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262601 776270597 /nfs/dbraw/zinc/27/05/97/776270597.db2.gz JJGYJOAETPIEFN-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288696 777181407 /nfs/dbraw/zinc/18/14/07/777181407.db2.gz ZPHUWAHGBJPLFM-AEFFLSMTSA-N 2 1 301.434 0.886 20 30 DCEDMP COCC#CCN1CCC(C)(NC(=O)Cn2ccnc2)CC1 ZINC001278095198 945134614 /nfs/dbraw/zinc/13/46/14/945134614.db2.gz WHXKKNGCKXYNPC-UHFFFAOYSA-N 2 1 304.394 0.504 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854267 945210387 /nfs/dbraw/zinc/21/03/87/945210387.db2.gz OOKRXZFHNXCYKW-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317949047 945222215 /nfs/dbraw/zinc/22/22/15/945222215.db2.gz CLZOMMJFRHRUBG-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533613 939154928 /nfs/dbraw/zinc/15/49/28/939154928.db2.gz MYEFDNMKOZHVKU-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266751149 939230008 /nfs/dbraw/zinc/23/00/08/939230008.db2.gz CGTZECOVFOGJDT-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001493278902 939305789 /nfs/dbraw/zinc/30/57/89/939305789.db2.gz FPIAPLLGAQJPRD-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001493278902 939305792 /nfs/dbraw/zinc/30/57/92/939305792.db2.gz FPIAPLLGAQJPRD-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001493278902 939305795 /nfs/dbraw/zinc/30/57/95/939305795.db2.gz FPIAPLLGAQJPRD-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001267246172 939402000 /nfs/dbraw/zinc/40/20/00/939402000.db2.gz SCWGBACTHQYQCI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001267246172 939402002 /nfs/dbraw/zinc/40/20/02/939402002.db2.gz SCWGBACTHQYQCI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267246172 939402005 /nfs/dbraw/zinc/40/20/05/939402005.db2.gz SCWGBACTHQYQCI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267246172 939402009 /nfs/dbraw/zinc/40/20/09/939402009.db2.gz SCWGBACTHQYQCI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CCCn2ccnc2)C1 ZINC001267310329 939422157 /nfs/dbraw/zinc/42/21/57/939422157.db2.gz VUCNXPXWCCAFLD-INIZCTEOSA-N 2 1 318.421 0.751 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001268121069 939951485 /nfs/dbraw/zinc/95/14/85/939951485.db2.gz YMTNIYVAYGHQLJ-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001268121069 939951488 /nfs/dbraw/zinc/95/14/88/939951488.db2.gz YMTNIYVAYGHQLJ-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481727623 940090196 /nfs/dbraw/zinc/09/01/96/940090196.db2.gz JPUAMRZHFVKUSG-OWCLPIDISA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481727623 940090201 /nfs/dbraw/zinc/09/02/01/940090201.db2.gz JPUAMRZHFVKUSG-OWCLPIDISA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481727623 940090205 /nfs/dbraw/zinc/09/02/05/940090205.db2.gz JPUAMRZHFVKUSG-OWCLPIDISA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481727623 940090212 /nfs/dbraw/zinc/09/02/12/940090212.db2.gz JPUAMRZHFVKUSG-OWCLPIDISA-N 2 1 307.438 0.509 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)N(C)CC ZINC001481821389 940150062 /nfs/dbraw/zinc/15/00/62/940150062.db2.gz YJSHVIZDGQHNAO-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)N(C)CC ZINC001481821389 940150064 /nfs/dbraw/zinc/15/00/64/940150064.db2.gz YJSHVIZDGQHNAO-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001482024714 940209140 /nfs/dbraw/zinc/20/91/40/940209140.db2.gz IOJQEEWAXWXCCO-SHTZXODSSA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001268803361 940366522 /nfs/dbraw/zinc/36/65/22/940366522.db2.gz ZXOMVDXIVVPRQC-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCCOC)CC1 ZINC001269352769 940691471 /nfs/dbraw/zinc/69/14/71/940691471.db2.gz WBZDAZTZQUAFOH-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC#CCOC ZINC001269407769 940700941 /nfs/dbraw/zinc/70/09/41/940700941.db2.gz HXGMZLSKZRVOGI-OWCLPIDISA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOC)CC1 ZINC001270358372 940887110 /nfs/dbraw/zinc/88/71/10/940887110.db2.gz HHFRQFSKEKDDHI-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCO)C1 ZINC001270737483 940978365 /nfs/dbraw/zinc/97/83/65/940978365.db2.gz NLEAUPJGRIVVJH-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCO)C1 ZINC001270737483 940978366 /nfs/dbraw/zinc/97/83/66/940978366.db2.gz NLEAUPJGRIVVJH-DOTOQJQBSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001271201600 941320602 /nfs/dbraw/zinc/32/06/02/941320602.db2.gz SYKQWKZNVZGWLX-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001271610083 941410362 /nfs/dbraw/zinc/41/03/62/941410362.db2.gz UPTHQBIXBXXCES-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001271738076 941439605 /nfs/dbraw/zinc/43/96/05/941439605.db2.gz FTUPCMBNAPXTJS-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2C1)[NH+](C)C ZINC001271892654 941473752 /nfs/dbraw/zinc/47/37/52/941473752.db2.gz UZRQHZROYLCHCN-XHSDSOJGSA-N 2 1 307.438 0.367 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001271964831 941494260 /nfs/dbraw/zinc/49/42/60/941494260.db2.gz GGPCXFGUGSKDQE-RHSMWYFYSA-N 2 1 318.421 0.575 20 30 DCEDMP CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001272078403 941594177 /nfs/dbraw/zinc/59/41/77/941594177.db2.gz IBFICMRAIROYHV-GVDBMIGSSA-N 2 1 321.465 0.899 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001272503987 942790592 /nfs/dbraw/zinc/79/05/92/942790592.db2.gz KBHWOJYKPVXHHM-GOEBONIOSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484423771 943367275 /nfs/dbraw/zinc/36/72/75/943367275.db2.gz UESLDHSFPARLFO-HNNXBMFYSA-N 2 1 306.454 0.132 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484436102 943381246 /nfs/dbraw/zinc/38/12/46/943381246.db2.gz UHEYNCDKXPXPGX-WBVHZDCISA-N 2 1 307.438 0.457 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001484887162 943613078 /nfs/dbraw/zinc/61/30/78/943613078.db2.gz FVRPHPNKRCFUMN-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001491176515 943805311 /nfs/dbraw/zinc/80/53/11/943805311.db2.gz JYBKKBLAUXLIQH-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001485405910 943925679 /nfs/dbraw/zinc/92/56/79/943925679.db2.gz ABNMGNOMNMHLRI-INIZCTEOSA-N 2 1 321.465 0.847 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001485407838 943927160 /nfs/dbraw/zinc/92/71/60/943927160.db2.gz VVSMLAQZMLNPFO-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001485407838 943927162 /nfs/dbraw/zinc/92/71/62/943927162.db2.gz VVSMLAQZMLNPFO-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580281 944013366 /nfs/dbraw/zinc/01/33/66/944013366.db2.gz FMKYWOJTWYIVRY-HUUCEWRRSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580281 944013374 /nfs/dbraw/zinc/01/33/74/944013374.db2.gz FMKYWOJTWYIVRY-HUUCEWRRSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580281 944013379 /nfs/dbraw/zinc/01/33/79/944013379.db2.gz FMKYWOJTWYIVRY-HUUCEWRRSA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485802566 944143153 /nfs/dbraw/zinc/14/31/53/944143153.db2.gz AHVSBHLQJVTAAN-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001276812707 944310713 /nfs/dbraw/zinc/31/07/13/944310713.db2.gz LSYODQZADFYEJY-DZGCQCFKSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCC=C)CC1 ZINC001486359551 944821416 /nfs/dbraw/zinc/82/14/16/944821416.db2.gz YRXLNTZPCLMJDO-QGZVFWFLSA-N 2 1 321.465 0.659 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCOC)C1 ZINC001317149078 944825932 /nfs/dbraw/zinc/82/59/32/944825932.db2.gz GWLIFHQNRMXKTB-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCOC)C1 ZINC001317149078 944825939 /nfs/dbraw/zinc/82/59/39/944825939.db2.gz GWLIFHQNRMXKTB-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC#CCOC ZINC001317178560 944836477 /nfs/dbraw/zinc/83/64/77/944836477.db2.gz BYUORKZWLJJNTK-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC#CCOC ZINC001317178560 944836485 /nfs/dbraw/zinc/83/64/85/944836485.db2.gz BYUORKZWLJJNTK-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC#CCOC ZINC001317178560 944836494 /nfs/dbraw/zinc/83/64/94/944836494.db2.gz BYUORKZWLJJNTK-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC#CCOC ZINC001317178560 944836503 /nfs/dbraw/zinc/83/65/03/944836503.db2.gz BYUORKZWLJJNTK-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317270822 944890673 /nfs/dbraw/zinc/89/06/73/944890673.db2.gz WOIWPHNNRRIDPU-ZFWWWQNUSA-N 2 1 318.421 0.498 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001277819711 944991690 /nfs/dbraw/zinc/99/16/90/944991690.db2.gz QAPWMTLLLKIJOV-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001318525526 945394932 /nfs/dbraw/zinc/39/49/32/945394932.db2.gz XQXSUMWCCHAQRZ-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001278512265 945616750 /nfs/dbraw/zinc/61/67/50/945616750.db2.gz PFYXQDQXGGZSDY-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320084357 945734578 /nfs/dbraw/zinc/73/45/78/945734578.db2.gz IDURWKXUCDBTII-HZPDHXFCSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320084357 945734584 /nfs/dbraw/zinc/73/45/84/945734584.db2.gz IDURWKXUCDBTII-HZPDHXFCSA-N 2 1 309.454 0.899 20 30 DCEDMP C=C[C@@](C)(O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252552291 945961255 /nfs/dbraw/zinc/96/12/55/945961255.db2.gz VKKHEPYKOLNYIM-MRXNPFEDSA-N 2 1 306.410 0.448 20 30 DCEDMP C=C[C@@](C)(O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252552291 945961267 /nfs/dbraw/zinc/96/12/67/945961267.db2.gz VKKHEPYKOLNYIM-MRXNPFEDSA-N 2 1 306.410 0.448 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001320929139 946074591 /nfs/dbraw/zinc/07/45/91/946074591.db2.gz PMSSCOTYGBJTPT-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=C[C@@H](O)C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001253583182 946138844 /nfs/dbraw/zinc/13/88/44/946138844.db2.gz YSJYIYRHLKZXCX-CQSZACIVSA-N 2 1 317.437 0.176 20 30 DCEDMP C=C[C@@H](O)C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001253583182 946138849 /nfs/dbraw/zinc/13/88/49/946138849.db2.gz YSJYIYRHLKZXCX-CQSZACIVSA-N 2 1 317.437 0.176 20 30 DCEDMP C=C[C@H](O)C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001253583180 946139045 /nfs/dbraw/zinc/13/90/45/946139045.db2.gz YSJYIYRHLKZXCX-AWEZNQCLSA-N 2 1 317.437 0.176 20 30 DCEDMP C=C[C@H](O)C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001253583180 946139049 /nfs/dbraw/zinc/13/90/49/946139049.db2.gz YSJYIYRHLKZXCX-AWEZNQCLSA-N 2 1 317.437 0.176 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001278787935 946396335 /nfs/dbraw/zinc/39/63/35/946396335.db2.gz XYHKUENSPABYRW-SFHVURJKSA-N 2 1 321.465 0.992 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001322831656 946825649 /nfs/dbraw/zinc/82/56/49/946825649.db2.gz MKJAPQHGCFVWAE-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001324412778 947419151 /nfs/dbraw/zinc/41/91/51/947419151.db2.gz FYILSCMPWJNHAV-AWEZNQCLSA-N 2 1 322.453 0.128 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196920108 948054846 /nfs/dbraw/zinc/05/48/46/948054846.db2.gz RHEFTYHOEQYAFU-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196920108 948054855 /nfs/dbraw/zinc/05/48/55/948054855.db2.gz RHEFTYHOEQYAFU-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001328098775 948710184 /nfs/dbraw/zinc/71/01/84/948710184.db2.gz QBBWAAUJOJHDPC-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001328098775 948710191 /nfs/dbraw/zinc/71/01/91/948710191.db2.gz QBBWAAUJOJHDPC-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001264079988 948872673 /nfs/dbraw/zinc/87/26/73/948872673.db2.gz DCTMMHXPXUTXOI-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001264079988 948872679 /nfs/dbraw/zinc/87/26/79/948872679.db2.gz DCTMMHXPXUTXOI-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001264079988 948872691 /nfs/dbraw/zinc/87/26/91/948872691.db2.gz DCTMMHXPXUTXOI-HZPDHXFCSA-N 2 1 307.438 0.247 20 30 DCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001328541399 948951745 /nfs/dbraw/zinc/95/17/45/948951745.db2.gz FZCINSISRZTJOS-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265119645 949336641 /nfs/dbraw/zinc/33/66/41/949336641.db2.gz LVUQFGNKQGZRNI-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265119645 949336665 /nfs/dbraw/zinc/33/66/65/949336665.db2.gz LVUQFGNKQGZRNI-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265119645 949336688 /nfs/dbraw/zinc/33/66/88/949336688.db2.gz LVUQFGNKQGZRNI-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C[NH2+]CCCc1[nH]nc(NC(=O)Cn2c[nH+]cc2C)c1C#N ZINC001329185307 949417546 /nfs/dbraw/zinc/41/75/46/949417546.db2.gz XAHFUTUVENLZSQ-UHFFFAOYSA-N 2 1 301.354 0.577 20 30 DCEDMP COCC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001329256451 949466584 /nfs/dbraw/zinc/46/65/84/949466584.db2.gz FPBKHMYANJAUDE-GTPINHCMSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001265231486 949469469 /nfs/dbraw/zinc/46/94/69/949469469.db2.gz ZOFFCPCTBPSEAL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001265231486 949469484 /nfs/dbraw/zinc/46/94/84/949469484.db2.gz ZOFFCPCTBPSEAL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001265231486 949469495 /nfs/dbraw/zinc/46/94/95/949469495.db2.gz ZOFFCPCTBPSEAL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001265231486 949469504 /nfs/dbraw/zinc/46/95/04/949469504.db2.gz ZOFFCPCTBPSEAL-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001489212280 949605412 /nfs/dbraw/zinc/60/54/12/949605412.db2.gz PHWGLKVETLVAQA-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001489212280 949605424 /nfs/dbraw/zinc/60/54/24/949605424.db2.gz PHWGLKVETLVAQA-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001489212280 949605433 /nfs/dbraw/zinc/60/54/33/949605433.db2.gz PHWGLKVETLVAQA-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001265725756 949902521 /nfs/dbraw/zinc/90/25/21/949902521.db2.gz JMMAMZMMVISLPG-VQJWOFKYSA-N 2 1 322.453 0.064 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)C[C@@H](C)OC)CC1 ZINC001490281965 950495429 /nfs/dbraw/zinc/49/54/29/950495429.db2.gz ORFKXMGWASYUHW-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)C[C@H](C)OC)CC1 ZINC001490281963 950496059 /nfs/dbraw/zinc/49/60/59/950496059.db2.gz ORFKXMGWASYUHW-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)COC)C1 ZINC001330611004 950547417 /nfs/dbraw/zinc/54/74/17/950547417.db2.gz WHNIHFZJYVTKLQ-FPCVCCKLSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)COC)C1 ZINC001330611004 950547433 /nfs/dbraw/zinc/54/74/33/950547433.db2.gz WHNIHFZJYVTKLQ-FPCVCCKLSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490474365 950717016 /nfs/dbraw/zinc/71/70/16/950717016.db2.gz BCCMKJXZDRMYEM-UHFFFAOYSA-N 2 1 318.465 0.229 20 30 DCEDMP COCC#CCN1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001316604924 951024739 /nfs/dbraw/zinc/02/47/39/951024739.db2.gz MWDJOUYEOQQSGS-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001281461309 951509110 /nfs/dbraw/zinc/50/91/10/951509110.db2.gz HKIZVWKZDNJFNJ-ZFWWWQNUSA-N 2 1 306.410 0.831 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NCCC ZINC001274791650 951839257 /nfs/dbraw/zinc/83/92/57/951839257.db2.gz MDEXYIFZKQJIMM-KFWWJZLASA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001343682770 953364367 /nfs/dbraw/zinc/36/43/67/953364367.db2.gz FZTOWBAXIMPSEQ-OFQRWUPVSA-N 2 1 311.426 0.012 20 30 DCEDMP C#CCNC(=O)CN(C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001282403902 953569277 /nfs/dbraw/zinc/56/92/77/953569277.db2.gz YOJRFJBWDJDEMI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001282403902 953569287 /nfs/dbraw/zinc/56/92/87/953569287.db2.gz YOJRFJBWDJDEMI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001282403902 953569294 /nfs/dbraw/zinc/56/92/94/953569294.db2.gz YOJRFJBWDJDEMI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001282403902 953569299 /nfs/dbraw/zinc/56/92/99/953569299.db2.gz YOJRFJBWDJDEMI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001282403902 953569305 /nfs/dbraw/zinc/56/93/05/953569305.db2.gz YOJRFJBWDJDEMI-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001282872114 953711479 /nfs/dbraw/zinc/71/14/79/953711479.db2.gz PQIHACSPRUMWFY-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001282872114 953711485 /nfs/dbraw/zinc/71/14/85/953711485.db2.gz PQIHACSPRUMWFY-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001282872114 953711489 /nfs/dbraw/zinc/71/14/89/953711489.db2.gz PQIHACSPRUMWFY-NXOAAHMSSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001295876026 957840856 /nfs/dbraw/zinc/84/08/56/957840856.db2.gz WOIFCWBYEKGGJA-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001295876026 957840868 /nfs/dbraw/zinc/84/08/68/957840868.db2.gz WOIFCWBYEKGGJA-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cncn1C ZINC001492037583 959576285 /nfs/dbraw/zinc/57/62/85/959576285.db2.gz UYWDKYZUTDCSGW-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cncn1C ZINC001492037583 959576292 /nfs/dbraw/zinc/57/62/92/959576292.db2.gz UYWDKYZUTDCSGW-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001316750651 960366313 /nfs/dbraw/zinc/36/63/13/960366313.db2.gz UEKVAZPDGFMMFR-RBSFLKMASA-N 2 1 318.421 0.985 20 30 DCEDMP C=C(Cl)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001379408825 962852688 /nfs/dbraw/zinc/85/26/88/962852688.db2.gz VCYIDDBGWHAVAD-QWHCGFSZSA-N 2 1 303.834 0.678 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001379408825 962852705 /nfs/dbraw/zinc/85/27/05/962852705.db2.gz VCYIDDBGWHAVAD-QWHCGFSZSA-N 2 1 303.834 0.678 20 30 DCEDMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379599383 963246052 /nfs/dbraw/zinc/24/60/52/963246052.db2.gz MAHGXXBHTOSCNR-QWRGUYRKSA-N 2 1 304.232 0.941 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001448945714 1014104052 /nfs/dbraw/zinc/10/40/52/1014104052.db2.gz KUFROFVWYHCRPY-KBPBESRZSA-N 2 1 317.861 0.926 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001392391686 991862431 /nfs/dbraw/zinc/86/24/31/991862431.db2.gz MLMRJVHOSVVZAN-JKSUJKDBSA-N 2 1 316.405 0.219 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001394651255 993968734 /nfs/dbraw/zinc/96/87/34/993968734.db2.gz ZWLIZLPDULGDRX-QWHCGFSZSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001394651255 993968741 /nfs/dbraw/zinc/96/87/41/993968741.db2.gz ZWLIZLPDULGDRX-QWHCGFSZSA-N 2 1 303.834 0.680 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001507072616 1015954370 /nfs/dbraw/zinc/95/43/70/1015954370.db2.gz VZKJOAZUMYBAGL-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(=C)C ZINC001507484750 1016392864 /nfs/dbraw/zinc/39/28/64/1016392864.db2.gz JVOBNCOQGOUSIO-HOTGVXAUSA-N 2 1 307.438 0.459 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(=C)C ZINC001507484750 1016392877 /nfs/dbraw/zinc/39/28/77/1016392877.db2.gz JVOBNCOQGOUSIO-HOTGVXAUSA-N 2 1 307.438 0.459 20 30 DCEDMP C=C(Cl)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001403665290 1002306166 /nfs/dbraw/zinc/30/61/66/1002306166.db2.gz BYFJYXFLLLXLQR-OLZOCXBDSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001403665290 1002306181 /nfs/dbraw/zinc/30/61/81/1002306181.db2.gz BYFJYXFLLLXLQR-OLZOCXBDSA-N 2 1 303.834 0.680 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001406246494 1003521954 /nfs/dbraw/zinc/52/19/54/1003521954.db2.gz AWJNSSYIIFTWII-HZPDHXFCSA-N 2 1 316.405 0.219 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001406289276 1003574693 /nfs/dbraw/zinc/57/46/93/1003574693.db2.gz MRMNUJAGMGXJIO-HZPDHXFCSA-N 2 1 316.405 0.077 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(C#N)s1 ZINC001441783786 1008501607 /nfs/dbraw/zinc/50/16/07/1008501607.db2.gz ILJAJPJPGUNGKR-RISCZKNCSA-N 2 1 322.434 0.545 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(C#N)s1 ZINC001441783786 1008501609 /nfs/dbraw/zinc/50/16/09/1008501609.db2.gz ILJAJPJPGUNGKR-RISCZKNCSA-N 2 1 322.434 0.545 20 30 DCEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001422013842 1009398882 /nfs/dbraw/zinc/39/88/82/1009398882.db2.gz PNUYKKCLJPLLIU-ZDUSSCGKSA-N 2 1 315.845 0.946 20 30 DCEDMP COCC#CCN1CC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001506656273 1017440130 /nfs/dbraw/zinc/44/01/30/1017440130.db2.gz RLMSOZUANWPBDA-CABCVRRESA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001506656273 1017440148 /nfs/dbraw/zinc/44/01/48/1017440148.db2.gz RLMSOZUANWPBDA-CABCVRRESA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001479312584 1017492012 /nfs/dbraw/zinc/49/20/12/1017492012.db2.gz JNZALESVDOJGPL-ZNMIVQPWSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CCNCc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001479741961 1017685100 /nfs/dbraw/zinc/68/51/00/1017685100.db2.gz OVFGPNLSTKTNAB-GFCCVEGCSA-N 2 1 318.446 0.702 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC#CCOC ZINC001479776683 1017739376 /nfs/dbraw/zinc/73/93/76/1017739376.db2.gz MCLUVAANPISYIG-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC#CCOC ZINC001479776683 1017739390 /nfs/dbraw/zinc/73/93/90/1017739390.db2.gz MCLUVAANPISYIG-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC#CCOC ZINC001479776683 1017739400 /nfs/dbraw/zinc/73/94/00/1017739400.db2.gz MCLUVAANPISYIG-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC#CCOC ZINC001479776683 1017739416 /nfs/dbraw/zinc/73/94/16/1017739416.db2.gz MCLUVAANPISYIG-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCOCC)C2)CC1 ZINC001479971532 1018075830 /nfs/dbraw/zinc/07/58/30/1018075830.db2.gz BXKFXSZKLHJJFQ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001494864080 1018114284 /nfs/dbraw/zinc/11/42/84/1018114284.db2.gz PRUIENGHRKHLJM-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001494864080 1018114290 /nfs/dbraw/zinc/11/42/90/1018114290.db2.gz PRUIENGHRKHLJM-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001494864080 1018114295 /nfs/dbraw/zinc/11/42/95/1018114295.db2.gz PRUIENGHRKHLJM-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001494864080 1018114302 /nfs/dbraw/zinc/11/43/02/1018114302.db2.gz PRUIENGHRKHLJM-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500253618 1018349547 /nfs/dbraw/zinc/34/95/47/1018349547.db2.gz IWCLHEXBDUXZLV-MRXNPFEDSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500253618 1018349553 /nfs/dbraw/zinc/34/95/53/1018349553.db2.gz IWCLHEXBDUXZLV-MRXNPFEDSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001480269699 1018388649 /nfs/dbraw/zinc/38/86/49/1018388649.db2.gz NBGYWVWDENRVAV-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001495480554 1018532097 /nfs/dbraw/zinc/53/20/97/1018532097.db2.gz XUMZDCULUCFQDU-BZUAXINKSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001495667350 1018638189 /nfs/dbraw/zinc/63/81/89/1018638189.db2.gz QJWMVXOGURQZFT-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498394758 1019054277 /nfs/dbraw/zinc/05/42/77/1019054277.db2.gz LUYZDYFFRZZPIS-ZDUSSCGKSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498394758 1019054294 /nfs/dbraw/zinc/05/42/94/1019054294.db2.gz LUYZDYFFRZZPIS-ZDUSSCGKSA-N 2 1 310.442 0.067 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CN(C)CC#CCOC ZINC001498456922 1019135221 /nfs/dbraw/zinc/13/52/21/1019135221.db2.gz QOPMGJDFVBEBNT-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#CCOC ZINC001498456922 1019135230 /nfs/dbraw/zinc/13/52/30/1019135230.db2.gz QOPMGJDFVBEBNT-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#CCOC ZINC001498456922 1019135239 /nfs/dbraw/zinc/13/52/39/1019135239.db2.gz QOPMGJDFVBEBNT-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#CCOC ZINC001498456922 1019135253 /nfs/dbraw/zinc/13/52/53/1019135253.db2.gz QOPMGJDFVBEBNT-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCO1 ZINC001502056305 1019667081 /nfs/dbraw/zinc/66/70/81/1019667081.db2.gz URRMCYFNYFZQRL-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001662141809 1174182112 /nfs/dbraw/zinc/18/21/12/1174182112.db2.gz GZVFUCUDLMZIAH-UYSNPLJNSA-N 2 1 307.438 0.747 20 30 DCEDMP CC#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001662141809 1174182114 /nfs/dbraw/zinc/18/21/14/1174182114.db2.gz GZVFUCUDLMZIAH-UYSNPLJNSA-N 2 1 307.438 0.747 20 30 DCEDMP Cc1nnc(CNC(N[C@@H]2CC[N@@H+](C3CC3)C2)=[NH+]C2CC2)n1C ZINC000261933253 238168468 /nfs/dbraw/zinc/16/84/68/238168468.db2.gz BVZUTMWUEHWVOX-CYBMUJFWSA-N 2 1 317.441 0.558 20 30 DCEDMP Cc1nnc(CNC(N[C@@H]2CC[N@H+](C3CC3)C2)=[NH+]C2CC2)n1C ZINC000261933253 238168470 /nfs/dbraw/zinc/16/84/70/238168470.db2.gz BVZUTMWUEHWVOX-CYBMUJFWSA-N 2 1 317.441 0.558 20 30 DCEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CCOCC1 ZINC000273041521 238287159 /nfs/dbraw/zinc/28/71/59/238287159.db2.gz ZNYNTHRCGIJVEX-MRXNPFEDSA-N 2 1 318.421 0.400 20 30 DCEDMP NC(CCO)=[NH+]OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283411263 238391105 /nfs/dbraw/zinc/39/11/05/238391105.db2.gz ARQFRWMFOKJQRJ-OAHLLOKOSA-N 2 1 307.394 0.949 20 30 DCEDMP NC(CCO)=[NH+]OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283411263 238391108 /nfs/dbraw/zinc/39/11/08/238391108.db2.gz ARQFRWMFOKJQRJ-OAHLLOKOSA-N 2 1 307.394 0.949 20 30 DCEDMP COc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000281757238 396237589 /nfs/dbraw/zinc/23/75/89/396237589.db2.gz RLTDMIMCTVVGCB-UHFFFAOYSA-N 2 1 316.405 0.821 20 30 DCEDMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594661451 396495669 /nfs/dbraw/zinc/49/56/69/396495669.db2.gz ZRLJFLMBBODKJN-KBPBESRZSA-N 2 1 306.410 0.691 20 30 DCEDMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594661451 396495671 /nfs/dbraw/zinc/49/56/71/396495671.db2.gz ZRLJFLMBBODKJN-KBPBESRZSA-N 2 1 306.410 0.691 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343734769 415703585 /nfs/dbraw/zinc/70/35/85/415703585.db2.gz DXPSYLFGVIOXNR-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000329567820 416175968 /nfs/dbraw/zinc/17/59/68/416175968.db2.gz TWIYSDOSYQUTDD-HOCLYGCPSA-N 2 1 324.469 0.916 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000329567820 416175970 /nfs/dbraw/zinc/17/59/70/416175970.db2.gz TWIYSDOSYQUTDD-HOCLYGCPSA-N 2 1 324.469 0.916 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+](C)CC2(O)CCCCCC2)CC1 ZINC000491023700 416582856 /nfs/dbraw/zinc/58/28/56/416582856.db2.gz YPWSFTLWXPYXLG-UHFFFAOYSA-N 2 1 321.465 0.781 20 30 DCEDMP C#CCN1CCN(C(=O)CN(C)CC2(O)CCCCCC2)CC1 ZINC000491023700 416582858 /nfs/dbraw/zinc/58/28/58/416582858.db2.gz YPWSFTLWXPYXLG-UHFFFAOYSA-N 2 1 321.465 0.781 20 30 DCEDMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424163073 416620330 /nfs/dbraw/zinc/62/03/30/416620330.db2.gz XHGAFSWFBCHPJY-HNNXBMFYSA-N 2 1 309.458 0.397 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000491742906 416622553 /nfs/dbraw/zinc/62/25/53/416622553.db2.gz HHBDJXRHKWUWJG-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000491742906 416622555 /nfs/dbraw/zinc/62/25/55/416622555.db2.gz HHBDJXRHKWUWJG-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000491742906 416622562 /nfs/dbraw/zinc/62/25/62/416622562.db2.gz HHBDJXRHKWUWJG-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621372443 417284169 /nfs/dbraw/zinc/28/41/69/417284169.db2.gz VVLWXLNEHLPWND-FZDBZEDMSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621372443 417284173 /nfs/dbraw/zinc/28/41/73/417284173.db2.gz VVLWXLNEHLPWND-FZDBZEDMSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621372443 417284181 /nfs/dbraw/zinc/28/41/81/417284181.db2.gz VVLWXLNEHLPWND-FZDBZEDMSA-N 2 1 308.466 0.890 20 30 DCEDMP C=CCCn1cc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)nn1 ZINC000657310666 417847005 /nfs/dbraw/zinc/84/70/05/417847005.db2.gz ORHZDWZGIBKLJK-OAHLLOKOSA-N 2 1 306.458 0.970 20 30 DCEDMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329928402 336096524 /nfs/dbraw/zinc/09/65/24/336096524.db2.gz XWFVVRPXFHBSDA-CYBMUJFWSA-N 2 1 310.442 0.526 20 30 DCEDMP C[NH+]1CCC(CC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330141961 336117480 /nfs/dbraw/zinc/11/74/80/336117480.db2.gz QFLIPXPZXGOQEV-UHFFFAOYSA-N 2 1 310.442 0.839 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000352903108 336375560 /nfs/dbraw/zinc/37/55/60/336375560.db2.gz YCVZBIVBWQZMTF-GJZGRUSLSA-N 2 1 324.469 0.733 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001569137757 1160955290 /nfs/dbraw/zinc/95/52/90/1160955290.db2.gz HPQYDEVMVNAFCB-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001569137757 1160955293 /nfs/dbraw/zinc/95/52/93/1160955293.db2.gz HPQYDEVMVNAFCB-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001569137757 1160955295 /nfs/dbraw/zinc/95/52/95/1160955295.db2.gz HPQYDEVMVNAFCB-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001569137757 1160955297 /nfs/dbraw/zinc/95/52/97/1160955297.db2.gz HPQYDEVMVNAFCB-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C[C@@H]1C[C@H](NC(NCC(=O)N(C)C)=[NH+]C2CC2)C[N@H+]1C1CC1 ZINC000262252614 533897627 /nfs/dbraw/zinc/89/76/27/533897627.db2.gz CFUYTMIDEQYASF-YPMHNXCESA-N 2 1 307.442 0.397 20 30 DCEDMP COC(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)o1 ZINC000276646638 534065375 /nfs/dbraw/zinc/06/53/75/534065375.db2.gz OKZUBAGGDMGTLU-UHFFFAOYSA-N 2 1 324.381 0.193 20 30 DCEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261671264 526377593 /nfs/dbraw/zinc/37/75/93/526377593.db2.gz BZXDBPTWSAEOPD-CABCVRRESA-N 2 1 320.441 0.463 20 30 DCEDMP CCN(CC)C(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264104019 527981050 /nfs/dbraw/zinc/98/10/50/527981050.db2.gz NGSYHYJBEKVCMJ-UHFFFAOYSA-N 2 1 319.457 0.645 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978629154 660572474 /nfs/dbraw/zinc/57/24/74/660572474.db2.gz NUTIGZPCUNUWHO-DZUCGIPZSA-N 2 1 312.417 0.681 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978629154 660572475 /nfs/dbraw/zinc/57/24/75/660572475.db2.gz NUTIGZPCUNUWHO-DZUCGIPZSA-N 2 1 312.417 0.681 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCF)C[C@H]32)CC1 ZINC000979085149 660658820 /nfs/dbraw/zinc/65/88/20/660658820.db2.gz FIRJMIRKMRHJEN-OSYLJGHBSA-N 2 1 321.440 0.985 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028093520 661152874 /nfs/dbraw/zinc/15/28/74/661152874.db2.gz MRKGKZFVFUGWGC-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093520 661152876 /nfs/dbraw/zinc/15/28/76/661152876.db2.gz MRKGKZFVFUGWGC-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001028093520 661152877 /nfs/dbraw/zinc/15/28/77/661152877.db2.gz MRKGKZFVFUGWGC-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981785271 661216518 /nfs/dbraw/zinc/21/65/18/661216518.db2.gz ZKHVPIGQVRSXRJ-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981785271 661216520 /nfs/dbraw/zinc/21/65/20/661216520.db2.gz ZKHVPIGQVRSXRJ-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981785271 661216522 /nfs/dbraw/zinc/21/65/22/661216522.db2.gz ZKHVPIGQVRSXRJ-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001022196793 657536513 /nfs/dbraw/zinc/53/65/13/657536513.db2.gz UBNZKAGKZCKXSJ-IJEWVQPXSA-N 2 1 305.422 0.500 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001023128117 657540126 /nfs/dbraw/zinc/54/01/26/657540126.db2.gz QAVPOHOFJDTWFV-OKILXGFUSA-N 2 1 317.393 0.152 20 30 DCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969688157 658080716 /nfs/dbraw/zinc/08/07/16/658080716.db2.gz SYDJXDQWDHASAB-CYBMUJFWSA-N 2 1 303.410 0.128 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968808 658104475 /nfs/dbraw/zinc/10/44/75/658104475.db2.gz HUVOYGXPKUBHHH-KRIMKBQASA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971968808 658104482 /nfs/dbraw/zinc/10/44/82/658104482.db2.gz HUVOYGXPKUBHHH-KRIMKBQASA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971968808 658104487 /nfs/dbraw/zinc/10/44/87/658104487.db2.gz HUVOYGXPKUBHHH-KRIMKBQASA-N 2 1 305.422 0.568 20 30 DCEDMP C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295634 658531651 /nfs/dbraw/zinc/53/16/51/658531651.db2.gz WISJNQHWUKRIQN-DOTOQJQBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972295634 658531656 /nfs/dbraw/zinc/53/16/56/658531656.db2.gz WISJNQHWUKRIQN-DOTOQJQBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295634 658531660 /nfs/dbraw/zinc/53/16/60/658531660.db2.gz WISJNQHWUKRIQN-DOTOQJQBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972295634 658531671 /nfs/dbraw/zinc/53/16/71/658531671.db2.gz WISJNQHWUKRIQN-DOTOQJQBSA-N 2 1 307.438 0.960 20 30 DCEDMP CCOCCCNC(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000170907962 659397354 /nfs/dbraw/zinc/39/73/54/659397354.db2.gz GGNRKMLGWBAPNZ-AWEZNQCLSA-N 2 1 300.447 0.674 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000328015210 659425946 /nfs/dbraw/zinc/42/59/46/659425946.db2.gz QZVVOOPQQGAQGZ-INIZCTEOSA-N 2 1 301.390 0.843 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000328015210 659425949 /nfs/dbraw/zinc/42/59/49/659425949.db2.gz QZVVOOPQQGAQGZ-INIZCTEOSA-N 2 1 301.390 0.843 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](CC)CN2CCOCC2)C1 ZINC000924034927 661390456 /nfs/dbraw/zinc/39/04/56/661390456.db2.gz GFDHOCNKCWLAKW-HZPDHXFCSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000896487794 662274228 /nfs/dbraw/zinc/27/42/28/662274228.db2.gz CZFQRNFYPDSVKL-ARFHVFGLSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000896487794 662274229 /nfs/dbraw/zinc/27/42/29/662274229.db2.gz CZFQRNFYPDSVKL-ARFHVFGLSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC000896487794 662274230 /nfs/dbraw/zinc/27/42/30/662274230.db2.gz CZFQRNFYPDSVKL-ARFHVFGLSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC000896487794 662274231 /nfs/dbraw/zinc/27/42/31/662274231.db2.gz CZFQRNFYPDSVKL-ARFHVFGLSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971971 665892385 /nfs/dbraw/zinc/89/23/85/665892385.db2.gz GWXJIAIHDSDROV-HOTGVXAUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971971 665892386 /nfs/dbraw/zinc/89/23/86/665892386.db2.gz GWXJIAIHDSDROV-HOTGVXAUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971971 665892387 /nfs/dbraw/zinc/89/23/87/665892387.db2.gz GWXJIAIHDSDROV-HOTGVXAUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971971 665892389 /nfs/dbraw/zinc/89/23/89/665892389.db2.gz GWXJIAIHDSDROV-HOTGVXAUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCO)CC2)CC1 ZINC000989734947 662974774 /nfs/dbraw/zinc/97/47/74/662974774.db2.gz LNQPEYKALIFCRY-UHFFFAOYSA-N 2 1 307.438 0.248 20 30 DCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000712437 665920496 /nfs/dbraw/zinc/92/04/96/665920496.db2.gz BBBWUACCYUNPDM-JKSUJKDBSA-N 2 1 305.422 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000712437 665920497 /nfs/dbraw/zinc/92/04/97/665920497.db2.gz BBBWUACCYUNPDM-JKSUJKDBSA-N 2 1 305.422 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000712437 665920499 /nfs/dbraw/zinc/92/04/99/665920499.db2.gz BBBWUACCYUNPDM-JKSUJKDBSA-N 2 1 305.422 0.784 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000716697 665920677 /nfs/dbraw/zinc/92/06/77/665920677.db2.gz YQXKPYKWVOXUNJ-IAGOWNOFSA-N 2 1 317.433 0.621 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000716697 665920680 /nfs/dbraw/zinc/92/06/80/665920680.db2.gz YQXKPYKWVOXUNJ-IAGOWNOFSA-N 2 1 317.433 0.621 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000716697 665920682 /nfs/dbraw/zinc/92/06/82/665920682.db2.gz YQXKPYKWVOXUNJ-IAGOWNOFSA-N 2 1 317.433 0.621 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000715595 665920983 /nfs/dbraw/zinc/92/09/83/665920983.db2.gz SUXSPAKQDLILKP-JKSUJKDBSA-N 2 1 303.406 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000715595 665920984 /nfs/dbraw/zinc/92/09/84/665920984.db2.gz SUXSPAKQDLILKP-JKSUJKDBSA-N 2 1 303.406 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000715595 665920985 /nfs/dbraw/zinc/92/09/85/665920985.db2.gz SUXSPAKQDLILKP-JKSUJKDBSA-N 2 1 303.406 0.231 20 30 DCEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260336 663069859 /nfs/dbraw/zinc/06/98/59/663069859.db2.gz CJVSAVYGBKFDOU-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260336 663069860 /nfs/dbraw/zinc/06/98/60/663069860.db2.gz CJVSAVYGBKFDOU-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260336 663069862 /nfs/dbraw/zinc/06/98/62/663069862.db2.gz CJVSAVYGBKFDOU-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260336 663069863 /nfs/dbraw/zinc/06/98/63/663069863.db2.gz CJVSAVYGBKFDOU-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813755 663486856 /nfs/dbraw/zinc/48/68/56/663486856.db2.gz IKUAHDUTPNINPZ-CYBMUJFWSA-N 2 1 308.426 0.982 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813755 663486859 /nfs/dbraw/zinc/48/68/59/663486859.db2.gz IKUAHDUTPNINPZ-CYBMUJFWSA-N 2 1 308.426 0.982 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1=O ZINC000903912322 663495323 /nfs/dbraw/zinc/49/53/23/663495323.db2.gz DCMXBHLRVNMNKQ-GDBMZVCRSA-N 2 1 319.453 0.565 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1=O ZINC000903912322 663495324 /nfs/dbraw/zinc/49/53/24/663495324.db2.gz DCMXBHLRVNMNKQ-GDBMZVCRSA-N 2 1 319.453 0.565 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076315 665990479 /nfs/dbraw/zinc/99/04/79/665990479.db2.gz NDSJCFJZLMYWIJ-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001076315 665990480 /nfs/dbraw/zinc/99/04/80/665990480.db2.gz NDSJCFJZLMYWIJ-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001076315 665990481 /nfs/dbraw/zinc/99/04/81/665990481.db2.gz NDSJCFJZLMYWIJ-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941412848 665993412 /nfs/dbraw/zinc/99/34/12/665993412.db2.gz MIZMUSAFXRFQRR-NVXWUHKLSA-N 2 1 320.481 0.731 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000908435369 663755181 /nfs/dbraw/zinc/75/51/81/663755181.db2.gz GAVXKZIPMZAQAZ-OAHLLOKOSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993361017 664947131 /nfs/dbraw/zinc/94/71/31/664947131.db2.gz GNILLYQOCSDXGE-CABCVRRESA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993361017 664947133 /nfs/dbraw/zinc/94/71/33/664947133.db2.gz GNILLYQOCSDXGE-CABCVRRESA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC#C)[C@@H]2C)CC1 ZINC000994493640 665116349 /nfs/dbraw/zinc/11/63/49/665116349.db2.gz FBBMESHJLVZQCW-NVXWUHKLSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000919636709 665225285 /nfs/dbraw/zinc/22/52/85/665225285.db2.gz YLJAPPLDDOEKLX-HNNXBMFYSA-N 2 1 308.426 0.104 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529760 665312162 /nfs/dbraw/zinc/31/21/62/665312162.db2.gz VTIRSQDZXKAAFS-XJADACSNSA-N 2 1 317.433 0.711 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529760 665312164 /nfs/dbraw/zinc/31/21/64/665312164.db2.gz VTIRSQDZXKAAFS-XJADACSNSA-N 2 1 317.433 0.711 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032529760 665312166 /nfs/dbraw/zinc/31/21/66/665312166.db2.gz VTIRSQDZXKAAFS-XJADACSNSA-N 2 1 317.433 0.711 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529760 665312168 /nfs/dbraw/zinc/31/21/68/665312168.db2.gz VTIRSQDZXKAAFS-XJADACSNSA-N 2 1 317.433 0.711 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941461068 666000208 /nfs/dbraw/zinc/00/02/08/666000208.db2.gz XMORTIXVXMDCKE-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCOC)CC2)CC1 ZINC001001466697 666055488 /nfs/dbraw/zinc/05/54/88/666055488.db2.gz FCRIJKXLPHLNMJ-UHFFFAOYSA-N 2 1 319.449 0.726 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922628531 666498925 /nfs/dbraw/zinc/49/89/25/666498925.db2.gz DWTFSPTUZDPHKN-MRXNPFEDSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922628531 666498928 /nfs/dbraw/zinc/49/89/28/666498928.db2.gz DWTFSPTUZDPHKN-MRXNPFEDSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922628531 666498931 /nfs/dbraw/zinc/49/89/31/666498931.db2.gz DWTFSPTUZDPHKN-MRXNPFEDSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004378467 666527354 /nfs/dbraw/zinc/52/73/54/666527354.db2.gz GDLGSQSYGTXKKD-SJORKVTESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004378467 666527357 /nfs/dbraw/zinc/52/73/57/666527357.db2.gz GDLGSQSYGTXKKD-SJORKVTESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004378467 666527358 /nfs/dbraw/zinc/52/73/58/666527358.db2.gz GDLGSQSYGTXKKD-SJORKVTESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004378467 666527361 /nfs/dbraw/zinc/52/73/61/666527361.db2.gz GDLGSQSYGTXKKD-SJORKVTESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)COC)C2)CC1 ZINC001033684368 666795038 /nfs/dbraw/zinc/79/50/38/666795038.db2.gz NVSYLMRHZVLNJV-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005427350 666856512 /nfs/dbraw/zinc/85/65/12/666856512.db2.gz WSNKHOQAZXCVPA-CVEARBPZSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001035433571 667343374 /nfs/dbraw/zinc/34/33/74/667343374.db2.gz QMXASWRITNVDNO-HNNXBMFYSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001035433571 667343377 /nfs/dbraw/zinc/34/33/77/667343377.db2.gz QMXASWRITNVDNO-HNNXBMFYSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC001035817982 667411905 /nfs/dbraw/zinc/41/19/05/667411905.db2.gz GJDUGVGXPDVGDS-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000884213027 667500599 /nfs/dbraw/zinc/50/05/99/667500599.db2.gz RUQLJGLTJGXACQ-DGNOSDGRSA-N 2 1 302.422 0.726 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2(CCOC)CC[NH+](C)CC2)C1 ZINC000923555857 667563154 /nfs/dbraw/zinc/56/31/54/667563154.db2.gz SRWRUIYLJJXMIL-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(CCOC)CC[NH+](C)CC2)C1 ZINC000923555857 667563155 /nfs/dbraw/zinc/56/31/55/667563155.db2.gz SRWRUIYLJJXMIL-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#C[C@H]1COCCN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000838475407 667693382 /nfs/dbraw/zinc/69/33/82/667693382.db2.gz CXSBOFPZXNQGGB-CABCVRRESA-N 2 1 320.437 0.199 20 30 DCEDMP C=C(C)C[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001692300028 1157779937 /nfs/dbraw/zinc/77/99/37/1157779937.db2.gz ABACUKULBNOKLT-OAHLLOKOSA-N 2 1 313.442 0.300 20 30 DCEDMP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001692300028 1157779941 /nfs/dbraw/zinc/77/99/41/1157779941.db2.gz ABACUKULBNOKLT-OAHLLOKOSA-N 2 1 313.442 0.300 20 30 DCEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001692300028 1157779944 /nfs/dbraw/zinc/77/99/44/1157779944.db2.gz ABACUKULBNOKLT-OAHLLOKOSA-N 2 1 313.442 0.300 20 30 DCEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001692300028 1157779948 /nfs/dbraw/zinc/77/99/48/1157779948.db2.gz ABACUKULBNOKLT-OAHLLOKOSA-N 2 1 313.442 0.300 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000890371341 668123734 /nfs/dbraw/zinc/12/37/34/668123734.db2.gz SRLHTXRYEZUNQD-JKSUJKDBSA-N 2 1 302.422 0.740 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000890371341 668123737 /nfs/dbraw/zinc/12/37/37/668123737.db2.gz SRLHTXRYEZUNQD-JKSUJKDBSA-N 2 1 302.422 0.740 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000928653715 668612358 /nfs/dbraw/zinc/61/23/58/668612358.db2.gz YAWVWYOLLDOKKA-AWEZNQCLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)CC1 ZINC000791259288 669600511 /nfs/dbraw/zinc/60/05/11/669600511.db2.gz OMEHFACICVZTBO-CVEARBPZSA-N 2 1 307.413 0.976 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841707 670214266 /nfs/dbraw/zinc/21/42/66/670214266.db2.gz CCFQKIVBISJTLB-CVEARBPZSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841707 670214269 /nfs/dbraw/zinc/21/42/69/670214269.db2.gz CCFQKIVBISJTLB-CVEARBPZSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)CC[C@@H]21 ZINC001036902547 670270999 /nfs/dbraw/zinc/27/09/99/670270999.db2.gz MERPQXUMOIFURZ-MSOLQXFVSA-N 2 1 313.445 0.888 20 30 DCEDMP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949320667 670311909 /nfs/dbraw/zinc/31/19/09/670311909.db2.gz RFYJANDWKFIZKU-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949320667 670311912 /nfs/dbraw/zinc/31/19/12/670311912.db2.gz RFYJANDWKFIZKU-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949320667 670311918 /nfs/dbraw/zinc/31/19/18/670311918.db2.gz RFYJANDWKFIZKU-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)C2)CC1 ZINC000852868398 671180244 /nfs/dbraw/zinc/18/02/44/671180244.db2.gz RUBHPYVKRGYILJ-MRXNPFEDSA-N 2 1 318.465 0.274 20 30 DCEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)C2)CC1 ZINC000852868398 671180249 /nfs/dbraw/zinc/18/02/49/671180249.db2.gz RUBHPYVKRGYILJ-MRXNPFEDSA-N 2 1 318.465 0.274 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000836284916 671822451 /nfs/dbraw/zinc/82/24/51/671822451.db2.gz WMBHCYUOXQBYOG-LSDHHAIUSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000836284916 671822454 /nfs/dbraw/zinc/82/24/54/671822454.db2.gz WMBHCYUOXQBYOG-LSDHHAIUSA-N 2 1 308.426 0.104 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000900505095 685449220 /nfs/dbraw/zinc/44/92/20/685449220.db2.gz STJZQNOCVOXFSJ-HNNXBMFYSA-N 2 1 322.453 0.435 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CN1CCOCC1 ZINC000304741355 685211539 /nfs/dbraw/zinc/21/15/39/685211539.db2.gz CBDJKTVQQZYJAP-HUUCEWRRSA-N 2 1 311.474 0.343 20 30 DCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304741355 685211543 /nfs/dbraw/zinc/21/15/43/685211543.db2.gz CBDJKTVQQZYJAP-HUUCEWRRSA-N 3 1 311.474 0.343 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304741355 685211547 /nfs/dbraw/zinc/21/15/47/685211547.db2.gz CBDJKTVQQZYJAP-HUUCEWRRSA-N 3 1 311.474 0.343 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000305888584 685217406 /nfs/dbraw/zinc/21/74/06/685217406.db2.gz ZRYBMKUNJRFYIX-OCCSQVGLSA-N 2 1 307.442 0.386 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+]([C@@H](C)COC)C2)CC1 ZINC000957422081 687059720 /nfs/dbraw/zinc/05/97/20/687059720.db2.gz IMDHBAAVXZGHSR-HNNXBMFYSA-N 2 1 321.465 0.899 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222513 687454292 /nfs/dbraw/zinc/45/42/92/687454292.db2.gz FANAXUIAQPVFHD-ZBFHGGJFSA-N 2 1 312.373 0.380 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257993 687485822 /nfs/dbraw/zinc/48/58/22/687485822.db2.gz MFNYJFWYMDFDCC-OCCSQVGLSA-N 2 1 300.362 0.543 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590971 687779391 /nfs/dbraw/zinc/77/93/91/687779391.db2.gz DIQCANDZFZJGNR-GJZGRUSLSA-N 2 1 307.438 0.457 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590973 687779683 /nfs/dbraw/zinc/77/96/83/687779683.db2.gz DIQCANDZFZJGNR-LSDHHAIUSA-N 2 1 307.438 0.457 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717408 687871485 /nfs/dbraw/zinc/87/14/85/687871485.db2.gz QIGQRDFATPXUDS-IRXDYDNUSA-N 2 1 317.433 0.957 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000961579030 688659998 /nfs/dbraw/zinc/65/99/98/688659998.db2.gz CGRMUDQOVLUFGO-QXSJWSMHSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000961579030 688660001 /nfs/dbraw/zinc/66/00/01/688660001.db2.gz CGRMUDQOVLUFGO-QXSJWSMHSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961579030 688660002 /nfs/dbraw/zinc/66/00/02/688660002.db2.gz CGRMUDQOVLUFGO-QXSJWSMHSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961579030 688660004 /nfs/dbraw/zinc/66/00/04/688660004.db2.gz CGRMUDQOVLUFGO-QXSJWSMHSA-N 2 1 307.438 0.718 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCO)CC1 ZINC000963471287 689054360 /nfs/dbraw/zinc/05/43/60/689054360.db2.gz LRJLLTNACYJBRL-GPANFISMSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCO)CC1 ZINC000963471287 689054363 /nfs/dbraw/zinc/05/43/63/689054363.db2.gz LRJLLTNACYJBRL-GPANFISMSA-N 2 1 307.438 0.436 20 30 DCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007991112 690784099 /nfs/dbraw/zinc/78/40/99/690784099.db2.gz RDKFUYNCBBHTBQ-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007991112 690784102 /nfs/dbraw/zinc/78/41/02/690784102.db2.gz RDKFUYNCBBHTBQ-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007991112 690784105 /nfs/dbraw/zinc/78/41/05/690784105.db2.gz RDKFUYNCBBHTBQ-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016984686 692820365 /nfs/dbraw/zinc/82/03/65/692820365.db2.gz GFUPDZCWJNXSKT-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016984686 692820370 /nfs/dbraw/zinc/82/03/70/692820370.db2.gz GFUPDZCWJNXSKT-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760862 694661458 /nfs/dbraw/zinc/66/14/58/694661458.db2.gz QZJHUWIWKCESIL-CABCVRRESA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760862 694661459 /nfs/dbraw/zinc/66/14/59/694661459.db2.gz QZJHUWIWKCESIL-CABCVRRESA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760862 694661461 /nfs/dbraw/zinc/66/14/61/694661461.db2.gz QZJHUWIWKCESIL-CABCVRRESA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC#CC)C3)CC1 ZINC001073457452 694728984 /nfs/dbraw/zinc/72/89/84/694728984.db2.gz QUIAROWFEZUXIN-UHFFFAOYSA-N 2 1 313.445 0.889 20 30 DCEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073561951 694743244 /nfs/dbraw/zinc/74/32/44/694743244.db2.gz GPOPXIKZGYCQCJ-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073561951 694743245 /nfs/dbraw/zinc/74/32/45/694743245.db2.gz GPOPXIKZGYCQCJ-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073561951 694743246 /nfs/dbraw/zinc/74/32/46/694743246.db2.gz GPOPXIKZGYCQCJ-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073561951 694743247 /nfs/dbraw/zinc/74/32/47/694743247.db2.gz GPOPXIKZGYCQCJ-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611423 694751854 /nfs/dbraw/zinc/75/18/54/694751854.db2.gz WOAIQOUMLRTQAC-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073611423 694751855 /nfs/dbraw/zinc/75/18/55/694751855.db2.gz WOAIQOUMLRTQAC-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611423 694751856 /nfs/dbraw/zinc/75/18/56/694751856.db2.gz WOAIQOUMLRTQAC-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001073631902 694756195 /nfs/dbraw/zinc/75/61/95/694756195.db2.gz VSEFLHMQNLBJBC-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073631902 694756196 /nfs/dbraw/zinc/75/61/96/694756196.db2.gz VSEFLHMQNLBJBC-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073631902 694756198 /nfs/dbraw/zinc/75/61/98/694756198.db2.gz VSEFLHMQNLBJBC-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073631902 694756199 /nfs/dbraw/zinc/75/61/99/694756199.db2.gz VSEFLHMQNLBJBC-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001571460400 1162769590 /nfs/dbraw/zinc/76/95/90/1162769590.db2.gz VIYVUVDVSQYNKC-CABCVRRESA-N 2 1 306.410 0.973 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001571609177 1162859500 /nfs/dbraw/zinc/85/95/00/1162859500.db2.gz YACGOHUAAKBXLA-DLBZAZTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C[C@H]1CCCOC1 ZINC001691023410 1157403043 /nfs/dbraw/zinc/40/30/43/1157403043.db2.gz CRZGHUWQDYBWFB-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C[C@H]1CCCOC1 ZINC001691023410 1157403048 /nfs/dbraw/zinc/40/30/48/1157403048.db2.gz CRZGHUWQDYBWFB-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@H]1CCCOC1 ZINC001691023410 1157403052 /nfs/dbraw/zinc/40/30/52/1157403052.db2.gz CRZGHUWQDYBWFB-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@H]1CCCOC1 ZINC001691023410 1157403057 /nfs/dbraw/zinc/40/30/57/1157403057.db2.gz CRZGHUWQDYBWFB-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC[C@H]1CCOC1 ZINC001691023715 1157403457 /nfs/dbraw/zinc/40/34/57/1157403457.db2.gz ORZZTJINLPIJMQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC[C@H]1CCOC1 ZINC001691023715 1157403459 /nfs/dbraw/zinc/40/34/59/1157403459.db2.gz ORZZTJINLPIJMQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC[C@H]1CCOC1 ZINC001691023715 1157403463 /nfs/dbraw/zinc/40/34/63/1157403463.db2.gz ORZZTJINLPIJMQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC[C@H]1CCOC1 ZINC001691023715 1157403467 /nfs/dbraw/zinc/40/34/67/1157403467.db2.gz ORZZTJINLPIJMQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001566033476 1159868495 /nfs/dbraw/zinc/86/84/95/1159868495.db2.gz VSISBNRLLTUZMM-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001566033476 1159868504 /nfs/dbraw/zinc/86/85/04/1159868504.db2.gz VSISBNRLLTUZMM-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001566033476 1159868514 /nfs/dbraw/zinc/86/85/14/1159868514.db2.gz VSISBNRLLTUZMM-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1OCC ZINC001565952171 1159929081 /nfs/dbraw/zinc/92/90/81/1159929081.db2.gz MHIDOZFORXKRJN-GVDBMIGSSA-N 2 1 321.465 0.805 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001566573921 1160071211 /nfs/dbraw/zinc/07/12/11/1160071211.db2.gz ANOHDUXQFHVLHX-SFHVURJKSA-N 2 1 321.465 0.950 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001566573921 1160071219 /nfs/dbraw/zinc/07/12/19/1160071219.db2.gz ANOHDUXQFHVLHX-SFHVURJKSA-N 2 1 321.465 0.950 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001566573921 1160071229 /nfs/dbraw/zinc/07/12/29/1160071229.db2.gz ANOHDUXQFHVLHX-SFHVURJKSA-N 2 1 321.465 0.950 20 30 DCEDMP COCC#CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001566612648 1160092724 /nfs/dbraw/zinc/09/27/24/1160092724.db2.gz BZEWATCLDHWSHA-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001566642943 1160108005 /nfs/dbraw/zinc/10/80/05/1160108005.db2.gz WBGSKDWCFGJICN-IRXDYDNUSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC#CC)C1 ZINC001567732313 1160467590 /nfs/dbraw/zinc/46/75/90/1160467590.db2.gz YDPCXXRCCUEWQI-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC#CC)C1 ZINC001567732313 1160467594 /nfs/dbraw/zinc/46/75/94/1160467594.db2.gz YDPCXXRCCUEWQI-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC#CC)C1 ZINC001567732313 1160467597 /nfs/dbraw/zinc/46/75/97/1160467597.db2.gz YDPCXXRCCUEWQI-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC#CC)C1 ZINC001567732313 1160467599 /nfs/dbraw/zinc/46/75/99/1160467599.db2.gz YDPCXXRCCUEWQI-SJORKVTESA-N 2 1 301.434 0.888 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001569560950 1161149313 /nfs/dbraw/zinc/14/93/13/1161149313.db2.gz LLJNOYLQBACCQW-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001569937378 1161333624 /nfs/dbraw/zinc/33/36/24/1161333624.db2.gz UUIBNHNRAJAGCW-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574830290 1163761623 /nfs/dbraw/zinc/76/16/23/1163761623.db2.gz DVCFLRKCBSVGQR-GOEBONIOSA-N 2 1 319.453 0.936 20 30 DCEDMP C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001574890013 1163787345 /nfs/dbraw/zinc/78/73/45/1163787345.db2.gz VZEPNEMXTBEIDS-RRFJBIMHSA-N 2 1 323.437 0.684 20 30 DCEDMP C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001574890013 1163787352 /nfs/dbraw/zinc/78/73/52/1163787352.db2.gz VZEPNEMXTBEIDS-RRFJBIMHSA-N 2 1 323.437 0.684 20 30 DCEDMP CC#CC[C@H]([NH3+])C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001574972655 1163826951 /nfs/dbraw/zinc/82/69/51/1163826951.db2.gz NUQFSKLSEIHRLR-SJORKVTESA-N 2 1 315.417 0.263 20 30 DCEDMP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC001575402924 1163999976 /nfs/dbraw/zinc/99/99/76/1163999976.db2.gz WUOCZZFYKVESED-SOUVJXGZSA-N 2 1 321.469 0.394 20 30 DCEDMP C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575941246 1164189649 /nfs/dbraw/zinc/18/96/49/1164189649.db2.gz MMRBDOQXOZKZJY-BPLDGKMQSA-N 2 1 305.426 0.899 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001661482360 1174130004 /nfs/dbraw/zinc/13/00/04/1174130004.db2.gz JRXBHTNIAUUZGN-VQHPVUNQSA-N 2 1 319.449 0.890 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001661809418 1174159573 /nfs/dbraw/zinc/15/95/73/1174159573.db2.gz WNELEIJTDWFMGH-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001666921930 1174647395 /nfs/dbraw/zinc/64/73/95/1174647395.db2.gz VDMCDQWGOSLVIU-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001671570231 1175018953 /nfs/dbraw/zinc/01/89/53/1175018953.db2.gz SGLRXHOIWZRIKX-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001671570231 1175018955 /nfs/dbraw/zinc/01/89/55/1175018955.db2.gz SGLRXHOIWZRIKX-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001672412999 1175105245 /nfs/dbraw/zinc/10/52/45/1175105245.db2.gz SEJATYGSIVBFEL-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001672412999 1175105249 /nfs/dbraw/zinc/10/52/49/1175105249.db2.gz SEJATYGSIVBFEL-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001672412999 1175105252 /nfs/dbraw/zinc/10/52/52/1175105252.db2.gz SEJATYGSIVBFEL-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001672412999 1175105255 /nfs/dbraw/zinc/10/52/55/1175105255.db2.gz SEJATYGSIVBFEL-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001672499368 1175118155 /nfs/dbraw/zinc/11/81/55/1175118155.db2.gz ILCZFKREPGEPOR-SFHVURJKSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001672499368 1175118158 /nfs/dbraw/zinc/11/81/58/1175118158.db2.gz ILCZFKREPGEPOR-SFHVURJKSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001673288005 1175185085 /nfs/dbraw/zinc/18/50/85/1175185085.db2.gz CSCBNWCXGLLPOV-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001673677020 1175223076 /nfs/dbraw/zinc/22/30/76/1175223076.db2.gz ZPSFMAIFRBSQBA-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001674551299 1175282692 /nfs/dbraw/zinc/28/26/92/1175282692.db2.gz NILJAXVJQSPDKN-JCYILVPMSA-N 2 1 317.433 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001674551299 1175282697 /nfs/dbraw/zinc/28/26/97/1175282697.db2.gz NILJAXVJQSPDKN-JCYILVPMSA-N 2 1 317.433 0.218 20 30 DCEDMP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001674573765 1175284584 /nfs/dbraw/zinc/28/45/84/1175284584.db2.gz JDGVHBSPECTUNZ-SHARSMKWSA-N 2 1 300.406 0.872 20 30 DCEDMP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001676571407 1175462378 /nfs/dbraw/zinc/46/23/78/1175462378.db2.gz CFTAWNLHNRZQRF-HUUCEWRRSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@H]12 ZINC001676819937 1175492967 /nfs/dbraw/zinc/49/29/67/1175492967.db2.gz DYUJHRLZDCFOQM-XYJFISCASA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CCC[C@H]12 ZINC001676819937 1175492971 /nfs/dbraw/zinc/49/29/71/1175492971.db2.gz DYUJHRLZDCFOQM-XYJFISCASA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1OCC ZINC001689068614 1176687050 /nfs/dbraw/zinc/68/70/50/1176687050.db2.gz VYDOMMVHYSWEKI-HUUCEWRRSA-N 2 1 306.410 0.831 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001690029355 1177146259 /nfs/dbraw/zinc/14/62/59/1177146259.db2.gz CCBBFDSNEANJEN-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001690029355 1177146261 /nfs/dbraw/zinc/14/62/61/1177146261.db2.gz CCBBFDSNEANJEN-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCOCC2)CC1 ZINC001690028544 1177146475 /nfs/dbraw/zinc/14/64/75/1177146475.db2.gz AKUHXNGKTJRWOP-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001690078255 1177163651 /nfs/dbraw/zinc/16/36/51/1177163651.db2.gz NPPDWTLVILCQGT-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001690732425 1177313790 /nfs/dbraw/zinc/31/37/90/1177313790.db2.gz JRMRHVKXDNFAQQ-LSDHHAIUSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001690785675 1177325652 /nfs/dbraw/zinc/32/56/52/1177325652.db2.gz XBCMHHNJTQDRPJ-LSDHHAIUSA-N 2 1 322.453 0.095 20 30 DCEDMP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001691914018 1177382381 /nfs/dbraw/zinc/38/23/81/1177382381.db2.gz FZOIPOMYXLWYOB-UHFFFAOYSA-N 2 1 321.425 0.804 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001698844755 1177691710 /nfs/dbraw/zinc/69/17/10/1177691710.db2.gz FERBRNYWYOBZLS-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC[C@H]1CCOC1 ZINC001698988519 1177754764 /nfs/dbraw/zinc/75/47/64/1177754764.db2.gz FKDDRTXBXFBARO-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC[C@H]1CCOC1 ZINC001698988519 1177754766 /nfs/dbraw/zinc/75/47/66/1177754766.db2.gz FKDDRTXBXFBARO-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC[C@H]1CCOC1 ZINC001698988519 1177754774 /nfs/dbraw/zinc/75/47/74/1177754774.db2.gz FKDDRTXBXFBARO-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC[C@H]1CCOC1 ZINC001698988519 1177754778 /nfs/dbraw/zinc/75/47/78/1177754778.db2.gz FKDDRTXBXFBARO-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001699593991 1178209660 /nfs/dbraw/zinc/20/96/60/1178209660.db2.gz UWAMDZVBOURLDA-HOCLYGCPSA-N 2 1 307.438 0.462 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001699654300 1178240306 /nfs/dbraw/zinc/24/03/06/1178240306.db2.gz KGIXZPQKNVIPLY-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001699754777 1178276428 /nfs/dbraw/zinc/27/64/28/1178276428.db2.gz LVUCQVZHGYACJB-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001699914252 1178372528 /nfs/dbraw/zinc/37/25/28/1178372528.db2.gz ADDNGYVMLHDWBR-UHFFFAOYSA-N 2 1 307.438 0.601 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001699992976 1178410873 /nfs/dbraw/zinc/41/08/73/1178410873.db2.gz YLDXKRLZNNHKOP-QGZVFWFLSA-N 2 1 320.481 0.664 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001700008827 1178429238 /nfs/dbraw/zinc/42/92/38/1178429238.db2.gz YGIXQFYTVGVTJO-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001700041555 1178455629 /nfs/dbraw/zinc/45/56/29/1178455629.db2.gz VKQDSDDMHLDMHB-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001700243704 1178551010 /nfs/dbraw/zinc/55/10/10/1178551010.db2.gz XKPOQAKHWRRJJX-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001700339626 1178588634 /nfs/dbraw/zinc/58/86/34/1178588634.db2.gz RLOOEVUAMWYQAI-OAHLLOKOSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001700727601 1178723460 /nfs/dbraw/zinc/72/34/60/1178723460.db2.gz FOTMZAAOSRAOLI-HUUCEWRRSA-N 2 1 322.453 0.209 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@@H]1C ZINC001700826940 1178766572 /nfs/dbraw/zinc/76/65/72/1178766572.db2.gz WQRHYQSYVKAGBE-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001701011931 1178874324 /nfs/dbraw/zinc/87/43/24/1178874324.db2.gz WSJKCRIDIAJNIM-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001705133974 1180274204 /nfs/dbraw/zinc/27/42/04/1180274204.db2.gz KNLCVIKRVIDECT-ZNMIVQPWSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001705133974 1180274209 /nfs/dbraw/zinc/27/42/09/1180274209.db2.gz KNLCVIKRVIDECT-ZNMIVQPWSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001707209305 1180435985 /nfs/dbraw/zinc/43/59/85/1180435985.db2.gz QPMNGJIZDFXLGF-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001707209305 1180435988 /nfs/dbraw/zinc/43/59/88/1180435988.db2.gz QPMNGJIZDFXLGF-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001707209305 1180435991 /nfs/dbraw/zinc/43/59/91/1180435991.db2.gz QPMNGJIZDFXLGF-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001713220435 1180726330 /nfs/dbraw/zinc/72/63/30/1180726330.db2.gz LCCGUMLMISMWMS-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001713220435 1180726335 /nfs/dbraw/zinc/72/63/35/1180726335.db2.gz LCCGUMLMISMWMS-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713220435 1180726342 /nfs/dbraw/zinc/72/63/42/1180726342.db2.gz LCCGUMLMISMWMS-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713744691 1181040944 /nfs/dbraw/zinc/04/09/44/1181040944.db2.gz FTWQKTFZNQNHHJ-KRWDZBQOSA-N 2 1 320.481 0.428 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713744691 1181040952 /nfs/dbraw/zinc/04/09/52/1181040952.db2.gz FTWQKTFZNQNHHJ-KRWDZBQOSA-N 2 1 320.481 0.428 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713744691 1181040959 /nfs/dbraw/zinc/04/09/59/1181040959.db2.gz FTWQKTFZNQNHHJ-KRWDZBQOSA-N 2 1 320.481 0.428 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713744691 1181040965 /nfs/dbraw/zinc/04/09/65/1181040965.db2.gz FTWQKTFZNQNHHJ-KRWDZBQOSA-N 2 1 320.481 0.428 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001713989206 1181185567 /nfs/dbraw/zinc/18/55/67/1181185567.db2.gz QLVWZQQTMRBMCG-QXSJWSMHSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001713989206 1181185573 /nfs/dbraw/zinc/18/55/73/1181185573.db2.gz QLVWZQQTMRBMCG-QXSJWSMHSA-N 2 1 307.438 0.746 20 30 DCEDMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714049783 1181226612 /nfs/dbraw/zinc/22/66/12/1181226612.db2.gz KRBNBTCAABZPKX-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001714049783 1181226614 /nfs/dbraw/zinc/22/66/14/1181226614.db2.gz KRBNBTCAABZPKX-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001714049783 1181226616 /nfs/dbraw/zinc/22/66/16/1181226616.db2.gz KRBNBTCAABZPKX-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001714125510 1181255779 /nfs/dbraw/zinc/25/57/79/1181255779.db2.gz XAEKGPSOXKEZBC-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+]CC#CCOC)CCCC1 ZINC001714143947 1181261679 /nfs/dbraw/zinc/26/16/79/1181261679.db2.gz COBUOPXMRAOJKR-UHFFFAOYSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCO)CC1 ZINC001715169243 1181706692 /nfs/dbraw/zinc/70/66/92/1181706692.db2.gz BRIHEXBJTWBPEE-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCO)CC1 ZINC001715169243 1181706697 /nfs/dbraw/zinc/70/66/97/1181706697.db2.gz BRIHEXBJTWBPEE-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCCOC)CC1 ZINC001715539538 1181850274 /nfs/dbraw/zinc/85/02/74/1181850274.db2.gz KHEBGMAANKDITP-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001715645918 1181920464 /nfs/dbraw/zinc/92/04/64/1181920464.db2.gz JZECQXPTPMTVNV-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001715774430 1181988533 /nfs/dbraw/zinc/98/85/33/1181988533.db2.gz WEWJJXALPLCRKF-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001716500852 1182416328 /nfs/dbraw/zinc/41/63/28/1182416328.db2.gz LDHSZOQZOFJTFV-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001716500852 1182416333 /nfs/dbraw/zinc/41/63/33/1182416333.db2.gz LDHSZOQZOFJTFV-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716500852 1182416338 /nfs/dbraw/zinc/41/63/38/1182416338.db2.gz LDHSZOQZOFJTFV-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001716500852 1182416342 /nfs/dbraw/zinc/41/63/42/1182416342.db2.gz LDHSZOQZOFJTFV-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001716696282 1182498170 /nfs/dbraw/zinc/49/81/70/1182498170.db2.gz CQFJSHAQHGZTKV-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CCOC)CC1 ZINC001716809011 1182532622 /nfs/dbraw/zinc/53/26/22/1182532622.db2.gz QIKFAAWDNLRURV-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001716919733 1182575313 /nfs/dbraw/zinc/57/53/13/1182575313.db2.gz HGRSULTUAAVPOS-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001716919733 1182575322 /nfs/dbraw/zinc/57/53/22/1182575322.db2.gz HGRSULTUAAVPOS-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001716919733 1182575325 /nfs/dbraw/zinc/57/53/25/1182575325.db2.gz HGRSULTUAAVPOS-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001716971994 1182606639 /nfs/dbraw/zinc/60/66/39/1182606639.db2.gz UZSGJAZGPSSERQ-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001717042829 1182640261 /nfs/dbraw/zinc/64/02/61/1182640261.db2.gz IGJRLIPJSUKRGX-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)C[C@H](C)O)CC1 ZINC001717376130 1182809897 /nfs/dbraw/zinc/80/98/97/1182809897.db2.gz KWMQRXSAFHWZKS-DOTOQJQBSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001717587986 1182912107 /nfs/dbraw/zinc/91/21/07/1182912107.db2.gz QJASOHCMSATBCG-UONOGXRCSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001717587986 1182912112 /nfs/dbraw/zinc/91/21/12/1182912112.db2.gz QJASOHCMSATBCG-UONOGXRCSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717587986 1182912127 /nfs/dbraw/zinc/91/21/27/1182912127.db2.gz QJASOHCMSATBCG-UONOGXRCSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717587986 1182912133 /nfs/dbraw/zinc/91/21/33/1182912133.db2.gz QJASOHCMSATBCG-UONOGXRCSA-N 2 1 322.453 0.067 20 30 DCEDMP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CC(=O)NC)CC1 ZINC001724060763 1184374264 /nfs/dbraw/zinc/37/42/64/1184374264.db2.gz FNLZPVDXKKOKLV-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CC(=O)NC)CC1 ZINC001724060763 1184374271 /nfs/dbraw/zinc/37/42/71/1184374271.db2.gz FNLZPVDXKKOKLV-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001724164715 1184394618 /nfs/dbraw/zinc/39/46/18/1184394618.db2.gz HRHPGSWTJZFWAU-INIZCTEOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001724164715 1184394626 /nfs/dbraw/zinc/39/46/26/1184394626.db2.gz HRHPGSWTJZFWAU-INIZCTEOSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724420144 1184437496 /nfs/dbraw/zinc/43/74/96/1184437496.db2.gz NEFSWQVVLRWBIK-GOSISDBHSA-N 2 1 315.417 0.548 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001724534899 1184460201 /nfs/dbraw/zinc/46/02/01/1184460201.db2.gz VRNFGAIWLOGOOZ-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001725233951 1184732086 /nfs/dbraw/zinc/73/20/86/1184732086.db2.gz QTNVRGSUTVUVEM-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001725447314 1184830771 /nfs/dbraw/zinc/83/07/71/1184830771.db2.gz QVXMMGOFOPUMDN-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001725447314 1184830778 /nfs/dbraw/zinc/83/07/78/1184830778.db2.gz QVXMMGOFOPUMDN-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001725612319 1184911373 /nfs/dbraw/zinc/91/13/73/1184911373.db2.gz VHIZOAUNICTGNB-NVXWUHKLSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001725614816 1184912108 /nfs/dbraw/zinc/91/21/08/1184912108.db2.gz AQHXEQIXWSMJTD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001725614816 1184912113 /nfs/dbraw/zinc/91/21/13/1184912113.db2.gz AQHXEQIXWSMJTD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001725614816 1184912117 /nfs/dbraw/zinc/91/21/17/1184912117.db2.gz AQHXEQIXWSMJTD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001725614816 1184912121 /nfs/dbraw/zinc/91/21/21/1184912121.db2.gz AQHXEQIXWSMJTD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001731859696 1185534134 /nfs/dbraw/zinc/53/41/34/1185534134.db2.gz YGUUXLKSRTVUEJ-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001731859696 1185534136 /nfs/dbraw/zinc/53/41/36/1185534136.db2.gz YGUUXLKSRTVUEJ-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001731859696 1185534140 /nfs/dbraw/zinc/53/41/40/1185534140.db2.gz YGUUXLKSRTVUEJ-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC#CCOC)CC[N@H+]1C ZINC001732853433 1186015086 /nfs/dbraw/zinc/01/50/86/1186015086.db2.gz QHNDVSUGTOKETB-DZEZYYDTSA-N 2 1 307.438 0.629 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cncn1C ZINC001732858241 1186018327 /nfs/dbraw/zinc/01/83/27/1186018327.db2.gz APBDJBSWJJDIMK-APHBUQMISA-N 2 1 315.421 0.280 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cncn1C ZINC001732858241 1186018338 /nfs/dbraw/zinc/01/83/38/1186018338.db2.gz APBDJBSWJJDIMK-APHBUQMISA-N 2 1 315.421 0.280 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCOC(C)C ZINC001733046502 1186117072 /nfs/dbraw/zinc/11/70/72/1186117072.db2.gz YNMWUYOBSSJTGW-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCOC(C)C ZINC001733046502 1186117074 /nfs/dbraw/zinc/11/70/74/1186117074.db2.gz YNMWUYOBSSJTGW-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCOC(C)C ZINC001733046502 1186117078 /nfs/dbraw/zinc/11/70/78/1186117078.db2.gz YNMWUYOBSSJTGW-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCOC(C)C ZINC001733046502 1186117085 /nfs/dbraw/zinc/11/70/85/1186117085.db2.gz YNMWUYOBSSJTGW-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001733491024 1186300006 /nfs/dbraw/zinc/30/00/06/1186300006.db2.gz ALJQDNPCFBSSBE-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001733889646 1186488692 /nfs/dbraw/zinc/48/86/92/1186488692.db2.gz AEXPQYLYHRCPFA-INIZCTEOSA-N 2 1 307.438 0.601 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001734172122 1186567858 /nfs/dbraw/zinc/56/78/58/1186567858.db2.gz JFTKAYNMWXWDLQ-PHZGNYQRSA-N 2 1 307.438 0.272 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001734172122 1186567861 /nfs/dbraw/zinc/56/78/61/1186567861.db2.gz JFTKAYNMWXWDLQ-PHZGNYQRSA-N 2 1 307.438 0.272 20 30 DCEDMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001734172122 1186567865 /nfs/dbraw/zinc/56/78/65/1186567865.db2.gz JFTKAYNMWXWDLQ-PHZGNYQRSA-N 2 1 307.438 0.272 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001734546386 1186688227 /nfs/dbraw/zinc/68/82/27/1186688227.db2.gz KFHKZRZJXNVEHG-QGZVFWFLSA-N 2 1 317.433 0.746 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001752434158 1188422193 /nfs/dbraw/zinc/42/21/93/1188422193.db2.gz BWBQXRSECUUHSG-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001752775531 1188438558 /nfs/dbraw/zinc/43/85/58/1188438558.db2.gz NDQMKKYTPJQMJM-QLFBSQMISA-N 2 1 322.453 0.400 20 30 DCEDMP CC[C@H](C(=O)N1CCC2(C[NH+](CC#CCOC)C2)CC1)[NH+](C)C ZINC001753674441 1188638215 /nfs/dbraw/zinc/63/82/15/1188638215.db2.gz SIZYLQIQYZSLJX-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001754767900 1188930150 /nfs/dbraw/zinc/93/01/50/1188930150.db2.gz XCRAGXAEAFVJQQ-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001754859392 1188953354 /nfs/dbraw/zinc/95/33/54/1188953354.db2.gz WIICWNCYMDURKQ-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001754859392 1188953356 /nfs/dbraw/zinc/95/33/56/1188953356.db2.gz WIICWNCYMDURKQ-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCF)C1 ZINC001755003223 1188992722 /nfs/dbraw/zinc/99/27/22/1188992722.db2.gz ILYRUKHWKAZVDJ-GJZGRUSLSA-N 2 1 311.401 0.261 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCF)C1 ZINC001755003223 1188992725 /nfs/dbraw/zinc/99/27/25/1188992725.db2.gz ILYRUKHWKAZVDJ-GJZGRUSLSA-N 2 1 311.401 0.261 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001755305323 1189073998 /nfs/dbraw/zinc/07/39/98/1189073998.db2.gz NIACWCLRRIFHIW-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCCN1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001755333327 1189084956 /nfs/dbraw/zinc/08/49/56/1189084956.db2.gz GSVDHVMUDKAYQG-HNNXBMFYSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001755392106 1189100266 /nfs/dbraw/zinc/10/02/66/1189100266.db2.gz QOWOKXPPHXFSMG-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001755416420 1189106980 /nfs/dbraw/zinc/10/69/80/1189106980.db2.gz QTFKIXALLULITF-OAHLLOKOSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001755416420 1189106983 /nfs/dbraw/zinc/10/69/83/1189106983.db2.gz QTFKIXALLULITF-OAHLLOKOSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001755571979 1189150081 /nfs/dbraw/zinc/15/00/81/1189150081.db2.gz AEPZQIAXPQQAGR-INIZCTEOSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)CC[N@@H+](C)CC)nn2)C1 ZINC001107225650 751958767 /nfs/dbraw/zinc/95/87/67/751958767.db2.gz BTNSXTRFHOCIDV-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)CC[N@H+](C)CC)nn2)C1 ZINC001107225650 751958774 /nfs/dbraw/zinc/95/87/74/751958774.db2.gz BTNSXTRFHOCIDV-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249532 747424335 /nfs/dbraw/zinc/42/43/35/747424335.db2.gz JLCAPKCKARCTJM-LSDHHAIUSA-N 2 1 303.406 0.017 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284093 747858483 /nfs/dbraw/zinc/85/84/83/747858483.db2.gz OKQGRMGIYWHKIS-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284093 747858487 /nfs/dbraw/zinc/85/84/87/747858487.db2.gz OKQGRMGIYWHKIS-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203215125 748627789 /nfs/dbraw/zinc/62/77/89/748627789.db2.gz RPZVSRIAZYVINH-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203443083 749109080 /nfs/dbraw/zinc/10/90/80/749109080.db2.gz PZHQTAZATWOINK-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077131503 750216741 /nfs/dbraw/zinc/21/67/41/750216741.db2.gz DJNPZYUDZRAPST-IXDOHACOSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077131503 750216746 /nfs/dbraw/zinc/21/67/46/750216746.db2.gz DJNPZYUDZRAPST-IXDOHACOSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077131503 750216749 /nfs/dbraw/zinc/21/67/49/750216749.db2.gz DJNPZYUDZRAPST-IXDOHACOSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077131503 750216753 /nfs/dbraw/zinc/21/67/53/750216753.db2.gz DJNPZYUDZRAPST-IXDOHACOSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219055 750275032 /nfs/dbraw/zinc/27/50/32/750275032.db2.gz HSQQIIUSLOTPHQ-HUUCEWRRSA-N 2 1 305.422 0.047 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122536230 751089744 /nfs/dbraw/zinc/08/97/44/751089744.db2.gz VTCKULMTHRIHFD-HZPDHXFCSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223431 751135789 /nfs/dbraw/zinc/13/57/89/751135789.db2.gz QGMNLMOHSMFPPW-UTUOFQBUSA-N 2 1 303.328 0.693 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001098790132 751251258 /nfs/dbraw/zinc/25/12/58/751251258.db2.gz OXVJBSJYEBUKPI-HNNXBMFYSA-N 2 1 320.441 0.667 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001098790132 751251263 /nfs/dbraw/zinc/25/12/63/751251263.db2.gz OXVJBSJYEBUKPI-HNNXBMFYSA-N 2 1 320.441 0.667 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998516 752863516 /nfs/dbraw/zinc/86/35/16/752863516.db2.gz LYHPJWXFDSDLJI-NVXWUHKLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998516 752863529 /nfs/dbraw/zinc/86/35/29/752863529.db2.gz LYHPJWXFDSDLJI-NVXWUHKLSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923909 752870663 /nfs/dbraw/zinc/87/06/63/752870663.db2.gz JVLQMMMZFWMRDD-HZPDHXFCSA-N 2 1 307.438 0.291 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923909 752870668 /nfs/dbraw/zinc/87/06/68/752870668.db2.gz JVLQMMMZFWMRDD-HZPDHXFCSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2O)CC1 ZINC001078227170 753122394 /nfs/dbraw/zinc/12/23/94/753122394.db2.gz MIATVDUVFXRBRN-DJIMGWMZSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064022 753457099 /nfs/dbraw/zinc/45/70/99/753457099.db2.gz CLHRKETVKXWEEO-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064022 753457103 /nfs/dbraw/zinc/45/71/03/753457103.db2.gz CLHRKETVKXWEEO-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064022 753457105 /nfs/dbraw/zinc/45/71/05/753457105.db2.gz CLHRKETVKXWEEO-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082980 753472303 /nfs/dbraw/zinc/47/23/03/753472303.db2.gz ZINXALHOPUEFSM-QGZVFWFLSA-N 2 1 320.481 0.877 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212463192 753501093 /nfs/dbraw/zinc/50/10/93/753501093.db2.gz VXSXTKFLJJHWSL-RBSFLKMASA-N 2 1 313.442 0.345 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001047386496 754235033 /nfs/dbraw/zinc/23/50/33/754235033.db2.gz WVVYLOKEFWWMKZ-FZKCQIBNSA-N 2 1 307.438 0.244 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386496 754235039 /nfs/dbraw/zinc/23/50/39/754235039.db2.gz WVVYLOKEFWWMKZ-FZKCQIBNSA-N 2 1 307.438 0.244 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386496 754235045 /nfs/dbraw/zinc/23/50/45/754235045.db2.gz WVVYLOKEFWWMKZ-FZKCQIBNSA-N 2 1 307.438 0.244 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001047401554 754249057 /nfs/dbraw/zinc/24/90/57/754249057.db2.gz WTQDUJXPAJGIQV-PMPSAXMXSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401554 754249063 /nfs/dbraw/zinc/24/90/63/754249063.db2.gz WTQDUJXPAJGIQV-PMPSAXMXSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401554 754249070 /nfs/dbraw/zinc/24/90/70/754249070.db2.gz WTQDUJXPAJGIQV-PMPSAXMXSA-N 2 1 307.438 0.388 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001047408398 754257128 /nfs/dbraw/zinc/25/71/28/754257128.db2.gz WEYIRHMCJZXUQC-KKUMJFAQSA-N 2 1 318.421 0.840 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001047408398 754257133 /nfs/dbraw/zinc/25/71/33/754257133.db2.gz WEYIRHMCJZXUQC-KKUMJFAQSA-N 2 1 318.421 0.840 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001047498497 754333048 /nfs/dbraw/zinc/33/30/48/754333048.db2.gz YBNOJZPYIFCTPO-ULQDDVLXSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498497 754333053 /nfs/dbraw/zinc/33/30/53/754333053.db2.gz YBNOJZPYIFCTPO-ULQDDVLXSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498497 754333057 /nfs/dbraw/zinc/33/30/57/754333057.db2.gz YBNOJZPYIFCTPO-ULQDDVLXSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498497 754333061 /nfs/dbraw/zinc/33/30/61/754333061.db2.gz YBNOJZPYIFCTPO-ULQDDVLXSA-N 2 1 321.465 0.635 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001047527292 754359671 /nfs/dbraw/zinc/35/96/71/754359671.db2.gz BHCZKGMTTRHRGM-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047527292 754359678 /nfs/dbraw/zinc/35/96/78/754359678.db2.gz BHCZKGMTTRHRGM-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047527292 754359682 /nfs/dbraw/zinc/35/96/82/754359682.db2.gz BHCZKGMTTRHRGM-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090261821 754831082 /nfs/dbraw/zinc/83/10/82/754831082.db2.gz PGSPVWDKIVJHRJ-HOTGVXAUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833950 754967495 /nfs/dbraw/zinc/96/74/95/754967495.db2.gz WBIRQEZWVQUZPH-VVLHAWIVSA-N 2 1 317.433 0.263 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833950 754967500 /nfs/dbraw/zinc/96/75/00/754967500.db2.gz WBIRQEZWVQUZPH-VVLHAWIVSA-N 2 1 317.433 0.263 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833950 754967507 /nfs/dbraw/zinc/96/75/07/754967507.db2.gz WBIRQEZWVQUZPH-VVLHAWIVSA-N 2 1 317.433 0.263 20 30 DCEDMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049547843 755310389 /nfs/dbraw/zinc/31/03/89/755310389.db2.gz GVRJENYVRFOLCV-LTIDMASMSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049547843 755310390 /nfs/dbraw/zinc/31/03/90/755310390.db2.gz GVRJENYVRFOLCV-LTIDMASMSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547843 755310391 /nfs/dbraw/zinc/31/03/91/755310391.db2.gz GVRJENYVRFOLCV-LTIDMASMSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547843 755310392 /nfs/dbraw/zinc/31/03/92/755310392.db2.gz GVRJENYVRFOLCV-LTIDMASMSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947506 755881052 /nfs/dbraw/zinc/88/10/52/755881052.db2.gz RNSWPGDEHHVZPI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947506 755881057 /nfs/dbraw/zinc/88/10/57/755881057.db2.gz RNSWPGDEHHVZPI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947506 755881062 /nfs/dbraw/zinc/88/10/62/755881062.db2.gz RNSWPGDEHHVZPI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947506 755881068 /nfs/dbraw/zinc/88/10/68/755881068.db2.gz RNSWPGDEHHVZPI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054109517 756369700 /nfs/dbraw/zinc/36/97/00/756369700.db2.gz OAHRBWPKJQKVEF-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054109517 756369702 /nfs/dbraw/zinc/36/97/02/756369702.db2.gz OAHRBWPKJQKVEF-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054109517 756369706 /nfs/dbraw/zinc/36/97/06/756369706.db2.gz OAHRBWPKJQKVEF-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054109517 756369710 /nfs/dbraw/zinc/36/97/10/756369710.db2.gz OAHRBWPKJQKVEF-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001054296211 756426211 /nfs/dbraw/zinc/42/62/11/756426211.db2.gz ZUXAHZOFFKIEDL-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001054296211 756426214 /nfs/dbraw/zinc/42/62/14/756426214.db2.gz ZUXAHZOFFKIEDL-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788774 756786369 /nfs/dbraw/zinc/78/63/69/756786369.db2.gz ZPXFSSKZOOVRDP-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788774 756786372 /nfs/dbraw/zinc/78/63/72/756786372.db2.gz ZPXFSSKZOOVRDP-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788774 756786375 /nfs/dbraw/zinc/78/63/75/756786375.db2.gz ZPXFSSKZOOVRDP-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788774 756786377 /nfs/dbraw/zinc/78/63/77/756786377.db2.gz ZPXFSSKZOOVRDP-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392172 757352646 /nfs/dbraw/zinc/35/26/46/757352646.db2.gz QRUNPAAPNXSZQH-GJZGRUSLSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532852 757897496 /nfs/dbraw/zinc/89/74/96/757897496.db2.gz RQBUUSWWILFPKP-YLADIXGZSA-N 2 1 317.433 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532852 757897499 /nfs/dbraw/zinc/89/74/99/757897499.db2.gz RQBUUSWWILFPKP-YLADIXGZSA-N 2 1 317.433 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532852 757897505 /nfs/dbraw/zinc/89/75/05/757897505.db2.gz RQBUUSWWILFPKP-YLADIXGZSA-N 2 1 317.433 0.568 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098370985 762655810 /nfs/dbraw/zinc/65/58/10/762655810.db2.gz FBOLOMJPPWNTFQ-GDBMZVCRSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098370985 762655813 /nfs/dbraw/zinc/65/58/13/762655813.db2.gz FBOLOMJPPWNTFQ-GDBMZVCRSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098370985 762655815 /nfs/dbraw/zinc/65/58/15/762655815.db2.gz FBOLOMJPPWNTFQ-GDBMZVCRSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051996478 759099519 /nfs/dbraw/zinc/09/95/19/759099519.db2.gz NGRLGBXNBYEISN-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052075991 759161494 /nfs/dbraw/zinc/16/14/94/759161494.db2.gz FMVGJRZZXIOUNX-DLBZAZTESA-N 2 1 322.497 0.977 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731919 759245939 /nfs/dbraw/zinc/24/59/39/759245939.db2.gz NIJPEQOKZAEPTJ-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731919 759245945 /nfs/dbraw/zinc/24/59/45/759245945.db2.gz NIJPEQOKZAEPTJ-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731919 759245950 /nfs/dbraw/zinc/24/59/50/759245950.db2.gz NIJPEQOKZAEPTJ-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731919 759245955 /nfs/dbraw/zinc/24/59/55/759245955.db2.gz NIJPEQOKZAEPTJ-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878094 767870696 /nfs/dbraw/zinc/87/06/96/767870696.db2.gz RQBBNQOFPSHDHR-NSHDSACASA-N 2 1 304.232 0.943 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097245 761081897 /nfs/dbraw/zinc/08/18/97/761081897.db2.gz IQTTUNIFHJWXJF-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097245 761081910 /nfs/dbraw/zinc/08/19/10/761081910.db2.gz IQTTUNIFHJWXJF-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097245 761081920 /nfs/dbraw/zinc/08/19/20/761081920.db2.gz IQTTUNIFHJWXJF-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC#CCOC)C2 ZINC001148548482 768011548 /nfs/dbraw/zinc/01/15/48/768011548.db2.gz VPJZJLWMYMMISY-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475062 761263252 /nfs/dbraw/zinc/26/32/52/761263252.db2.gz BTHUGFSHBBORAX-IMJJTQAJSA-N 2 1 315.421 0.032 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070629575 761362189 /nfs/dbraw/zinc/36/21/89/761362189.db2.gz NFPZPBXTRWNWHA-RBSFLKMASA-N 2 1 317.437 0.584 20 30 DCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109898876 761598871 /nfs/dbraw/zinc/59/88/71/761598871.db2.gz HHGGRTMJNGIJCN-PVAVHDDUSA-N 2 1 319.449 0.842 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[NH+](CC)CC)C2)nn1 ZINC001098752132 762723859 /nfs/dbraw/zinc/72/38/59/762723859.db2.gz UMFFDLFOWJBPAZ-OAHLLOKOSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[NH+](CC)CC)C2)nn1 ZINC001098752131 762724386 /nfs/dbraw/zinc/72/43/86/762724386.db2.gz UMFFDLFOWJBPAZ-HNNXBMFYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129437340 762943851 /nfs/dbraw/zinc/94/38/51/762943851.db2.gz ZEABCNNIHMMTET-OLZOCXBDSA-N 2 1 319.409 0.157 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129842527 763022408 /nfs/dbraw/zinc/02/24/08/763022408.db2.gz ZKWCTKYUVCIUOB-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](O)C1 ZINC001099899600 763108729 /nfs/dbraw/zinc/10/87/29/763108729.db2.gz VQWQFMLGFYZISQ-JKSUJKDBSA-N 2 1 318.421 0.645 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415192 763292761 /nfs/dbraw/zinc/29/27/61/763292761.db2.gz CSRNDRJHAJKSNB-ZDUSSCGKSA-N 2 1 305.426 0.953 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130398861 763295284 /nfs/dbraw/zinc/29/52/84/763295284.db2.gz HBXOSJCIBMFMDG-UKRRQHHQSA-N 2 1 317.437 0.789 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+]2CCCC2)C1 ZINC001130446909 763311865 /nfs/dbraw/zinc/31/18/65/763311865.db2.gz UCAZQHVFEXQYOP-AWEZNQCLSA-N 2 1 315.421 0.544 20 30 DCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100401687 763551066 /nfs/dbraw/zinc/55/10/66/763551066.db2.gz HWEAEDDWTUYSKE-GPANFISMSA-N 2 1 319.453 0.874 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704111 763949170 /nfs/dbraw/zinc/94/91/70/763949170.db2.gz QPYVHDVZDWFZPZ-NVXWUHKLSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704111 763949177 /nfs/dbraw/zinc/94/91/77/763949177.db2.gz QPYVHDVZDWFZPZ-NVXWUHKLSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704111 763949185 /nfs/dbraw/zinc/94/91/85/763949185.db2.gz QPYVHDVZDWFZPZ-NVXWUHKLSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132359786 764415500 /nfs/dbraw/zinc/41/55/00/764415500.db2.gz OKCFHVYLDPUISV-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132359786 764415504 /nfs/dbraw/zinc/41/55/04/764415504.db2.gz OKCFHVYLDPUISV-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098479013 764438024 /nfs/dbraw/zinc/43/80/24/764438024.db2.gz OBZFHFOLKJVILF-GOEBONIOSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479013 764438029 /nfs/dbraw/zinc/43/80/29/764438029.db2.gz OBZFHFOLKJVILF-GOEBONIOSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479013 764438031 /nfs/dbraw/zinc/43/80/31/764438031.db2.gz OBZFHFOLKJVILF-GOEBONIOSA-N 2 1 307.438 0.103 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132426154 764452683 /nfs/dbraw/zinc/45/26/83/764452683.db2.gz SMIVBXSRYJIPSR-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132426154 764452686 /nfs/dbraw/zinc/45/26/86/764452686.db2.gz SMIVBXSRYJIPSR-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098479191 764491585 /nfs/dbraw/zinc/49/15/85/764491585.db2.gz WRMYISIEEAGHKM-NVXWUHKLSA-N 2 1 321.465 0.493 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479191 764491589 /nfs/dbraw/zinc/49/15/89/764491589.db2.gz WRMYISIEEAGHKM-NVXWUHKLSA-N 2 1 321.465 0.493 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479191 764491592 /nfs/dbraw/zinc/49/15/92/764491592.db2.gz WRMYISIEEAGHKM-NVXWUHKLSA-N 2 1 321.465 0.493 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001103365233 765035786 /nfs/dbraw/zinc/03/57/86/765035786.db2.gz VBSMMWWWPZKWNS-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365233 765035791 /nfs/dbraw/zinc/03/57/91/765035791.db2.gz VBSMMWWWPZKWNS-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365233 765035801 /nfs/dbraw/zinc/03/58/01/765035801.db2.gz VBSMMWWWPZKWNS-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133867858 765194042 /nfs/dbraw/zinc/19/40/42/765194042.db2.gz XVYRJJRAGHCRNO-KOLCDFICSA-N 2 1 304.232 0.799 20 30 DCEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001133869730 765196431 /nfs/dbraw/zinc/19/64/31/765196431.db2.gz KERLUGCEZNAYTA-CZUORRHYSA-N 2 1 300.406 0.962 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135030076 765770699 /nfs/dbraw/zinc/77/06/99/765770699.db2.gz XIUGDLLFTGLVJK-OLZOCXBDSA-N 2 1 321.425 0.367 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090573815 766329031 /nfs/dbraw/zinc/32/90/31/766329031.db2.gz PAXVDLYMMLRNLX-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090573815 766329039 /nfs/dbraw/zinc/32/90/39/766329039.db2.gz PAXVDLYMMLRNLX-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090573815 766329047 /nfs/dbraw/zinc/32/90/47/766329047.db2.gz PAXVDLYMMLRNLX-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001090618035 766382469 /nfs/dbraw/zinc/38/24/69/766382469.db2.gz ZMWCRVLHPCRFLZ-KBPBESRZSA-N 2 1 304.394 0.191 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)C[C@H]2O)CC1 ZINC001090830597 766649237 /nfs/dbraw/zinc/64/92/37/766649237.db2.gz NOFPOUXCNWLRBR-IAGOWNOFSA-N 2 1 321.465 0.539 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001171225872 767049225 /nfs/dbraw/zinc/04/92/25/767049225.db2.gz AMCBMXYAYZEOLD-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCN1C(=O)C[C@H](N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)C1=O ZINC001120771077 767196054 /nfs/dbraw/zinc/19/60/54/767196054.db2.gz LACRATJIHCJDHJ-JCGIZDLHSA-N 2 1 315.417 0.555 20 30 DCEDMP C#CCN1C(=O)C[C@H]([NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)C1=O ZINC001120771077 767196055 /nfs/dbraw/zinc/19/60/55/767196055.db2.gz LACRATJIHCJDHJ-JCGIZDLHSA-N 2 1 315.417 0.555 20 30 DCEDMP C#CCN1C(=O)C[C@H]([N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)C1=O ZINC001120771077 767196059 /nfs/dbraw/zinc/19/60/59/767196059.db2.gz LACRATJIHCJDHJ-JCGIZDLHSA-N 2 1 315.417 0.555 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCOC)C2 ZINC001121251849 767482404 /nfs/dbraw/zinc/48/24/04/767482404.db2.gz ZZUQYZHQHADKIY-HVEGKCCWSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCOC)C2 ZINC001121251849 767482410 /nfs/dbraw/zinc/48/24/10/767482410.db2.gz ZZUQYZHQHADKIY-HVEGKCCWSA-N 2 1 319.449 0.747 20 30 DCEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147296952 767696543 /nfs/dbraw/zinc/69/65/43/767696543.db2.gz BINNLSHHWPJNSK-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147296952 767696546 /nfs/dbraw/zinc/69/65/46/767696546.db2.gz BINNLSHHWPJNSK-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147296952 767696550 /nfs/dbraw/zinc/69/65/50/767696550.db2.gz BINNLSHHWPJNSK-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147296952 767696552 /nfs/dbraw/zinc/69/65/52/767696552.db2.gz BINNLSHHWPJNSK-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149849923 768882820 /nfs/dbraw/zinc/88/28/20/768882820.db2.gz XTHUMTBPZBNICU-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021644 768926959 /nfs/dbraw/zinc/92/69/59/768926959.db2.gz KVZHVZQRNUAUAK-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021644 768926965 /nfs/dbraw/zinc/92/69/65/768926965.db2.gz KVZHVZQRNUAUAK-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C=C(C)CN1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338580 768997509 /nfs/dbraw/zinc/99/75/09/768997509.db2.gz LQVLIUNKIBSJFD-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384658 769040969 /nfs/dbraw/zinc/04/09/69/769040969.db2.gz CZNDIVKPGTYDMI-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384658 769040981 /nfs/dbraw/zinc/04/09/81/769040981.db2.gz CZNDIVKPGTYDMI-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384658 769040992 /nfs/dbraw/zinc/04/09/92/769040992.db2.gz CZNDIVKPGTYDMI-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384658 769041003 /nfs/dbraw/zinc/04/10/03/769041003.db2.gz CZNDIVKPGTYDMI-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153819324 769950449 /nfs/dbraw/zinc/95/04/49/769950449.db2.gz WKKAKORFNXUDLL-HZPDHXFCSA-N 2 1 319.453 0.663 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153819324 769950452 /nfs/dbraw/zinc/95/04/52/769950452.db2.gz WKKAKORFNXUDLL-HZPDHXFCSA-N 2 1 319.453 0.663 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176992633 770282887 /nfs/dbraw/zinc/28/28/87/770282887.db2.gz WABXFFQGCXSPBU-LSDHHAIUSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154836511 770312782 /nfs/dbraw/zinc/31/27/82/770312782.db2.gz BPAVZAKIDLJHMN-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001154836511 770312794 /nfs/dbraw/zinc/31/27/94/770312794.db2.gz BPAVZAKIDLJHMN-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001154836511 770312806 /nfs/dbraw/zinc/31/28/06/770312806.db2.gz BPAVZAKIDLJHMN-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255094 770451339 /nfs/dbraw/zinc/45/13/39/770451339.db2.gz JIRPMXYXDNCZGP-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255094 770451341 /nfs/dbraw/zinc/45/13/41/770451341.db2.gz JIRPMXYXDNCZGP-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255094 770451342 /nfs/dbraw/zinc/45/13/42/770451342.db2.gz JIRPMXYXDNCZGP-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731160 770848306 /nfs/dbraw/zinc/84/83/06/770848306.db2.gz NFMZQBNZYCCQAY-QXSJWSMHSA-N 2 1 307.438 0.555 20 30 DCEDMP C=C(C)C(=O)NCCCNc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001156820416 770935479 /nfs/dbraw/zinc/93/54/79/770935479.db2.gz GZXCNQKCUTWMSL-UHFFFAOYSA-N 2 1 318.425 0.898 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179852723 771024426 /nfs/dbraw/zinc/02/44/26/771024426.db2.gz ZLKQWQQBLMXSNT-ILXRZTDVSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001179976194 771041470 /nfs/dbraw/zinc/04/14/70/771041470.db2.gz JMKVTVHAMYPURJ-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158867016 771829299 /nfs/dbraw/zinc/82/92/99/771829299.db2.gz XYHCDWHJCKQHQC-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158867016 771829302 /nfs/dbraw/zinc/82/93/02/771829302.db2.gz XYHCDWHJCKQHQC-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158867016 771829307 /nfs/dbraw/zinc/82/93/07/771829307.db2.gz XYHCDWHJCKQHQC-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185294641 771901274 /nfs/dbraw/zinc/90/12/74/771901274.db2.gz RCYQJLNHUMOLHB-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159925007 771978345 /nfs/dbraw/zinc/97/83/45/771978345.db2.gz MWYWWOLWGVWUST-CYBMUJFWSA-N 2 1 319.409 0.159 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001185998918 771990315 /nfs/dbraw/zinc/99/03/15/771990315.db2.gz CLJOBZDANZMSMN-OAHLLOKOSA-N 2 1 320.441 0.669 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1nncn1C ZINC001160209844 772010426 /nfs/dbraw/zinc/01/04/26/772010426.db2.gz YOALHDJMAKFNMB-KBPBESRZSA-N 2 1 318.425 0.070 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1nncn1C ZINC001160209844 772010432 /nfs/dbraw/zinc/01/04/32/772010432.db2.gz YOALHDJMAKFNMB-KBPBESRZSA-N 2 1 318.425 0.070 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127784 772426778 /nfs/dbraw/zinc/42/67/78/772426778.db2.gz ZNZNMWLJGRUXOX-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127784 772426780 /nfs/dbraw/zinc/42/67/80/772426780.db2.gz ZNZNMWLJGRUXOX-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127784 772426784 /nfs/dbraw/zinc/42/67/84/772426784.db2.gz ZNZNMWLJGRUXOX-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127784 772426786 /nfs/dbraw/zinc/42/67/86/772426786.db2.gz ZNZNMWLJGRUXOX-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164596509 772686852 /nfs/dbraw/zinc/68/68/52/772686852.db2.gz LZQBHSORMPREKU-GJZGRUSLSA-N 2 1 307.438 0.912 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165271730 772714425 /nfs/dbraw/zinc/71/44/25/772714425.db2.gz NHTNJYKXDHWEPK-HNNXBMFYSA-N 2 1 318.421 0.500 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166743990 772855023 /nfs/dbraw/zinc/85/50/23/772855023.db2.gz BYGLFJWNCYOYGR-AWEZNQCLSA-N 2 1 324.469 0.505 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342911 772907787 /nfs/dbraw/zinc/90/77/87/772907787.db2.gz LPKWGBABHPGPMF-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001192342911 772907792 /nfs/dbraw/zinc/90/77/92/772907792.db2.gz LPKWGBABHPGPMF-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192342911 772907794 /nfs/dbraw/zinc/90/77/94/772907794.db2.gz LPKWGBABHPGPMF-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204876070 772967196 /nfs/dbraw/zinc/96/71/96/772967196.db2.gz LWXSEIULAFLOQE-AWEZNQCLSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876070 772967197 /nfs/dbraw/zinc/96/71/97/772967197.db2.gz LWXSEIULAFLOQE-AWEZNQCLSA-N 2 1 315.845 0.898 20 30 DCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001205719280 773013390 /nfs/dbraw/zinc/01/33/90/773013390.db2.gz HJPYUZWXNCIEKN-UPTPFMHGSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001206030611 773041084 /nfs/dbraw/zinc/04/10/84/773041084.db2.gz DBZLTJSWMAYHBB-INIZCTEOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001206030611 773041087 /nfs/dbraw/zinc/04/10/87/773041087.db2.gz DBZLTJSWMAYHBB-INIZCTEOSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193695676 773104753 /nfs/dbraw/zinc/10/47/53/773104753.db2.gz KULVPCWCYOPOQI-AWEZNQCLSA-N 2 1 304.394 0.443 20 30 DCEDMP COCC#CCN(C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193695676 773104756 /nfs/dbraw/zinc/10/47/56/773104756.db2.gz KULVPCWCYOPOQI-AWEZNQCLSA-N 2 1 304.394 0.443 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026341 773140759 /nfs/dbraw/zinc/14/07/59/773140759.db2.gz CJENCOUHPZSNSR-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979464 773155523 /nfs/dbraw/zinc/15/55/23/773155523.db2.gz XYSIIYITSKKUCM-HYVNUMGLSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208330792 773436060 /nfs/dbraw/zinc/43/60/60/773436060.db2.gz FPRCXKMEYCFSDR-HZPDHXFCSA-N 2 1 317.437 0.417 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158488 773707375 /nfs/dbraw/zinc/70/73/75/773707375.db2.gz QRPJCTQMSKPRCU-HZPDHXFCSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158488 773707377 /nfs/dbraw/zinc/70/73/77/773707377.db2.gz QRPJCTQMSKPRCU-HZPDHXFCSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158488 773707378 /nfs/dbraw/zinc/70/73/78/773707378.db2.gz QRPJCTQMSKPRCU-HZPDHXFCSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158488 773707381 /nfs/dbraw/zinc/70/73/81/773707381.db2.gz QRPJCTQMSKPRCU-HZPDHXFCSA-N 2 1 307.438 0.368 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213599281 773866147 /nfs/dbraw/zinc/86/61/47/773866147.db2.gz YTEPUUINPCMGAI-HUUCEWRRSA-N 2 1 313.442 0.346 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198653079 773957887 /nfs/dbraw/zinc/95/78/87/773957887.db2.gz HCUOSTCFNGUWHP-ARFHVFGLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198653079 773957890 /nfs/dbraw/zinc/95/78/90/773957890.db2.gz HCUOSTCFNGUWHP-ARFHVFGLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198653079 773957897 /nfs/dbraw/zinc/95/78/97/773957897.db2.gz HCUOSTCFNGUWHP-ARFHVFGLSA-N 2 1 309.454 0.846 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001214997789 774032476 /nfs/dbraw/zinc/03/24/76/774032476.db2.gz MPPFKDUJRYGNOQ-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052424 774355070 /nfs/dbraw/zinc/35/50/70/774355070.db2.gz ZOOSQIJQFNXIFD-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCO1 ZINC001201226471 774467230 /nfs/dbraw/zinc/46/72/30/774467230.db2.gz YMSDMELSVBMGEC-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001201701393 774540835 /nfs/dbraw/zinc/54/08/35/774540835.db2.gz NBWWSXYHOQUZDV-BFHRDPOASA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073686 774688718 /nfs/dbraw/zinc/68/87/18/774688718.db2.gz HWVRLJWLLSRGDC-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073686 774688722 /nfs/dbraw/zinc/68/87/22/774688722.db2.gz HWVRLJWLLSRGDC-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073686 774688726 /nfs/dbraw/zinc/68/87/26/774688726.db2.gz HWVRLJWLLSRGDC-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP [NH3+]CCC[NH2+]CC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC001220286258 774758053 /nfs/dbraw/zinc/75/80/53/774758053.db2.gz DTCNXZMAMILSEZ-UHFFFAOYSA-N 2 1 321.764 0.571 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220871267 774940270 /nfs/dbraw/zinc/94/02/70/774940270.db2.gz XOKCMVYKSIDEKY-LBPRGKRZSA-N 2 1 311.183 0.101 20 30 DCEDMP COCC#CCN1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813454 775203631 /nfs/dbraw/zinc/20/36/31/775203631.db2.gz JYXAFIULQPMYHD-BRWVUGGUSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001224546917 775582200 /nfs/dbraw/zinc/58/22/00/775582200.db2.gz SUIAULZSCSVDKX-RDJZCZTQSA-N 2 1 321.465 0.662 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#CCOC ZINC001111309153 775727491 /nfs/dbraw/zinc/72/74/91/775727491.db2.gz JNJZZTDQTFTUPB-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001111309153 775727501 /nfs/dbraw/zinc/72/75/01/775727501.db2.gz JNJZZTDQTFTUPB-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001111309153 775727520 /nfs/dbraw/zinc/72/75/20/775727520.db2.gz JNJZZTDQTFTUPB-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001111309153 775727529 /nfs/dbraw/zinc/72/75/29/775727529.db2.gz JNJZZTDQTFTUPB-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001226781897 775876593 /nfs/dbraw/zinc/87/65/93/775876593.db2.gz FHKXGQUXWBZGNV-OAGGEKHMSA-N 2 1 317.437 0.464 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001229184992 776166250 /nfs/dbraw/zinc/16/62/50/776166250.db2.gz FPCANWSXNNMMSX-GOEBONIOSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001229908332 776234598 /nfs/dbraw/zinc/23/45/98/776234598.db2.gz ISYIOZXLQJFSPH-AWEZNQCLSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001114853053 776253039 /nfs/dbraw/zinc/25/30/39/776253039.db2.gz XEKCUGXQRZKGAW-LISAXSMJSA-N 2 1 319.449 0.557 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138171 776256829 /nfs/dbraw/zinc/25/68/29/776256829.db2.gz IUSHULURLBVTJQ-RBSFLKMASA-N 2 1 322.453 0.257 20 30 DCEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041403220 777257160 /nfs/dbraw/zinc/25/71/60/777257160.db2.gz MXJFRONOGMZGLX-INMHGKMJSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041403220 777257164 /nfs/dbraw/zinc/25/71/64/777257164.db2.gz MXJFRONOGMZGLX-INMHGKMJSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041403220 777257171 /nfs/dbraw/zinc/25/71/71/777257171.db2.gz MXJFRONOGMZGLX-INMHGKMJSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041403220 777257179 /nfs/dbraw/zinc/25/71/79/777257179.db2.gz MXJFRONOGMZGLX-INMHGKMJSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001317811196 945192468 /nfs/dbraw/zinc/19/24/68/945192468.db2.gz JPHDCVKUDPOMGS-INIZCTEOSA-N 2 1 301.434 0.793 20 30 DCEDMP C=C(C)CN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273029555 945207852 /nfs/dbraw/zinc/20/78/52/945207852.db2.gz CYZUUYCYRPMMIH-KRWDZBQOSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266247156 939025325 /nfs/dbraw/zinc/02/53/25/939025325.db2.gz DQOZMVRHWSNUQG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266247156 939025328 /nfs/dbraw/zinc/02/53/28/939025328.db2.gz DQOZMVRHWSNUQG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266247156 939025331 /nfs/dbraw/zinc/02/53/31/939025331.db2.gz DQOZMVRHWSNUQG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266247156 939025334 /nfs/dbraw/zinc/02/53/34/939025334.db2.gz DQOZMVRHWSNUQG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266246564 939026028 /nfs/dbraw/zinc/02/60/28/939026028.db2.gz RWOADBKKTLIICB-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001266246564 939026030 /nfs/dbraw/zinc/02/60/30/939026030.db2.gz RWOADBKKTLIICB-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266246564 939026032 /nfs/dbraw/zinc/02/60/32/939026032.db2.gz RWOADBKKTLIICB-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266246564 939026033 /nfs/dbraw/zinc/02/60/33/939026033.db2.gz RWOADBKKTLIICB-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266246564 939026034 /nfs/dbraw/zinc/02/60/34/939026034.db2.gz RWOADBKKTLIICB-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C[N@H+](CC(=O)NCCC[NH+]1CCN(CC#N)CC1)C1CCC1 ZINC001266264831 939035432 /nfs/dbraw/zinc/03/54/32/939035432.db2.gz LOOSNIJXPMHEMS-UHFFFAOYSA-N 2 1 307.442 0.118 20 30 DCEDMP C[N@@H+](CC(=O)NCCC[NH+]1CCN(CC#N)CC1)C1CCC1 ZINC001266264831 939035434 /nfs/dbraw/zinc/03/54/34/939035434.db2.gz LOOSNIJXPMHEMS-UHFFFAOYSA-N 2 1 307.442 0.118 20 30 DCEDMP C#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001266859447 939257039 /nfs/dbraw/zinc/25/70/39/939257039.db2.gz YUEBKXGWQFCFDM-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccon2)CC1 ZINC001266994303 939301079 /nfs/dbraw/zinc/30/10/79/939301079.db2.gz KYVULLTXKKDAHE-CYBMUJFWSA-N 2 1 304.394 0.614 20 30 DCEDMP C=CCOCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001267204706 939386279 /nfs/dbraw/zinc/38/62/79/939386279.db2.gz JSEURPMHVKOSFK-CQSZACIVSA-N 2 1 306.410 0.696 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001267453456 939459609 /nfs/dbraw/zinc/45/96/09/939459609.db2.gz CMRWQUJMVXIKRO-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCOCC)C2)CC1 ZINC001481125063 939574073 /nfs/dbraw/zinc/57/40/73/939574073.db2.gz AOXNENGCNATJJY-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1conc1C ZINC001481241285 939661763 /nfs/dbraw/zinc/66/17/63/939661763.db2.gz RRXMPJIFHLPTBS-HNNXBMFYSA-N 2 1 304.394 0.629 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1conc1C ZINC001481241285 939661764 /nfs/dbraw/zinc/66/17/64/939661764.db2.gz RRXMPJIFHLPTBS-HNNXBMFYSA-N 2 1 304.394 0.629 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001481301847 939730718 /nfs/dbraw/zinc/73/07/18/939730718.db2.gz DKNTYCHXURZKFS-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001481508108 939906896 /nfs/dbraw/zinc/90/68/96/939906896.db2.gz IGFAFBPZLAKONT-INIZCTEOSA-N 2 1 301.434 0.745 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481522298 939914246 /nfs/dbraw/zinc/91/42/46/939914246.db2.gz DKYZNUKUKSHKFJ-SOUVJXGZSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268085977 939931723 /nfs/dbraw/zinc/93/17/23/939931723.db2.gz LABFDXVCAOHQQF-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCO)C1 ZINC001481977020 940198470 /nfs/dbraw/zinc/19/84/70/940198470.db2.gz OMZMGOSBCULKDE-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCO)C1 ZINC001481977020 940198472 /nfs/dbraw/zinc/19/84/72/940198472.db2.gz OMZMGOSBCULKDE-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001269618370 940743458 /nfs/dbraw/zinc/74/34/58/940743458.db2.gz CBOVMRIAXWJOGI-KYJSFNMBSA-N 2 1 321.465 0.851 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001269775926 940774517 /nfs/dbraw/zinc/77/45/17/940774517.db2.gz ARUMXLSUWYOKBA-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001270345630 940884697 /nfs/dbraw/zinc/88/46/97/940884697.db2.gz ISWNXAOFHZBHNZ-HOTGVXAUSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001270655629 940955747 /nfs/dbraw/zinc/95/57/47/940955747.db2.gz FBZSGUIIKXEWNA-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001270655629 940955749 /nfs/dbraw/zinc/95/57/49/940955749.db2.gz FBZSGUIIKXEWNA-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001270870178 941030149 /nfs/dbraw/zinc/03/01/49/941030149.db2.gz KBIDIPISJRUMKI-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001270870178 941030152 /nfs/dbraw/zinc/03/01/52/941030152.db2.gz KBIDIPISJRUMKI-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(C)C ZINC001482842094 941686621 /nfs/dbraw/zinc/68/66/21/941686621.db2.gz UUPXVNPTFPJQQZ-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(C)C ZINC001482842094 941686622 /nfs/dbraw/zinc/68/66/22/941686622.db2.gz UUPXVNPTFPJQQZ-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001483745050 942846954 /nfs/dbraw/zinc/84/69/54/942846954.db2.gz VMYPQVASRIAYPW-UONOGXRCSA-N 2 1 322.453 0.400 20 30 DCEDMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CCCO)CC1 ZINC001483983556 943069213 /nfs/dbraw/zinc/06/92/13/943069213.db2.gz FSNPMZPKRXQLCL-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484216429 943216629 /nfs/dbraw/zinc/21/66/29/943216629.db2.gz MNDFMCVLQZBAJX-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001484236464 943237782 /nfs/dbraw/zinc/23/77/82/943237782.db2.gz PNDRJVLDKSQBPJ-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001484236464 943237791 /nfs/dbraw/zinc/23/77/91/943237791.db2.gz PNDRJVLDKSQBPJ-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001484236464 943237798 /nfs/dbraw/zinc/23/77/98/943237798.db2.gz PNDRJVLDKSQBPJ-FUHWJXTLSA-N 2 1 321.465 0.685 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484423791 943369126 /nfs/dbraw/zinc/36/91/26/943369126.db2.gz UGTXHVCVUOXKDB-OAHLLOKOSA-N 2 1 308.470 0.684 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484842247 943591008 /nfs/dbraw/zinc/59/10/08/943591008.db2.gz WNFJSWMOUIEZJE-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001484854734 943601507 /nfs/dbraw/zinc/60/15/07/943601507.db2.gz WSEYAKXKHVIPHK-MRXNPFEDSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC001484993743 943649074 /nfs/dbraw/zinc/64/90/74/943649074.db2.gz DZSRKVRSZGRUOV-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC001484993743 943649079 /nfs/dbraw/zinc/64/90/79/943649079.db2.gz DZSRKVRSZGRUOV-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001491036919 943722357 /nfs/dbraw/zinc/72/23/57/943722357.db2.gz YWFQPZQBAUSVJV-MELADBBJSA-N 2 1 319.409 0.119 20 30 DCEDMP C=CCOCC[NH+]1CC([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001485516617 943978484 /nfs/dbraw/zinc/97/84/84/943978484.db2.gz QXLNTYVBYRBAQO-AWEZNQCLSA-N 2 1 306.410 0.831 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580288 944012231 /nfs/dbraw/zinc/01/22/31/944012231.db2.gz FPLAHHYWGXSSBT-GJZGRUSLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580288 944012238 /nfs/dbraw/zinc/01/22/38/944012238.db2.gz FPLAHHYWGXSSBT-GJZGRUSLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580288 944012243 /nfs/dbraw/zinc/01/22/43/944012243.db2.gz FPLAHHYWGXSSBT-GJZGRUSLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580288 944012249 /nfs/dbraw/zinc/01/22/49/944012249.db2.gz FPLAHHYWGXSSBT-GJZGRUSLSA-N 2 1 307.438 0.415 20 30 DCEDMP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001276812709 944311179 /nfs/dbraw/zinc/31/11/79/944311179.db2.gz LSYODQZADFYEJY-UKRRQHHQSA-N 2 1 306.410 0.973 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#Cc2ccccc2)C1 ZINC001486060874 944521970 /nfs/dbraw/zinc/52/19/70/944521970.db2.gz CLHPKRJOWIHVGT-IAGOWNOFSA-N 2 1 315.417 0.057 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001316958903 944682245 /nfs/dbraw/zinc/68/22/45/944682245.db2.gz NUBINKSVGGGYQX-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC[C@H](C)O)C2)CC1 ZINC001316996437 944731701 /nfs/dbraw/zinc/73/17/01/944731701.db2.gz XZLIHTFXKFUDBZ-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001486313254 944776337 /nfs/dbraw/zinc/77/63/37/944776337.db2.gz XYBVCLYUSTYQLH-HOCLYGCPSA-N 2 1 318.421 0.186 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001277528061 944868226 /nfs/dbraw/zinc/86/82/26/944868226.db2.gz HPEWYOUYRLDWFS-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccns1 ZINC001317260216 944884290 /nfs/dbraw/zinc/88/42/90/944884290.db2.gz WEPXAVIQEVEECY-JSGCOSHPSA-N 2 1 306.435 0.835 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccns1 ZINC001317260216 944884296 /nfs/dbraw/zinc/88/42/96/944884296.db2.gz WEPXAVIQEVEECY-JSGCOSHPSA-N 2 1 306.435 0.835 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001317379951 944947614 /nfs/dbraw/zinc/94/76/14/944947614.db2.gz VNEJEGSPDQVSHI-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001281633762 944984788 /nfs/dbraw/zinc/98/47/88/944984788.db2.gz ABRVVSJBRZCROQ-MRXNPFEDSA-N 2 1 321.465 0.826 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001277819710 944992444 /nfs/dbraw/zinc/99/24/44/944992444.db2.gz QAPWMTLLLKIJOV-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001277843228 945003350 /nfs/dbraw/zinc/00/33/50/945003350.db2.gz AYQUBACBTCCDSR-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001277843228 945003362 /nfs/dbraw/zinc/00/33/62/945003362.db2.gz AYQUBACBTCCDSR-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001317511997 945008501 /nfs/dbraw/zinc/00/85/01/945008501.db2.gz GWZODNWVPAPFNO-HNNXBMFYSA-N 2 1 305.422 0.313 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001317511997 945008510 /nfs/dbraw/zinc/00/85/10/945008510.db2.gz GWZODNWVPAPFNO-HNNXBMFYSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001319196844 945517627 /nfs/dbraw/zinc/51/76/27/945517627.db2.gz NODRTPDCMXRSQB-ZBFHGGJFSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001319196844 945517637 /nfs/dbraw/zinc/51/76/37/945517637.db2.gz NODRTPDCMXRSQB-ZBFHGGJFSA-N 2 1 317.437 0.360 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001278816797 946438225 /nfs/dbraw/zinc/43/82/25/946438225.db2.gz WTUAHBUBGRNXCZ-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278816797 946438230 /nfs/dbraw/zinc/43/82/30/946438230.db2.gz WTUAHBUBGRNXCZ-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278816797 946438232 /nfs/dbraw/zinc/43/82/32/946438232.db2.gz WTUAHBUBGRNXCZ-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001278873041 946531182 /nfs/dbraw/zinc/53/11/82/946531182.db2.gz YVOYZLGHGHVVSF-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001278873041 946531194 /nfs/dbraw/zinc/53/11/94/946531194.db2.gz YVOYZLGHGHVVSF-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860419 947232740 /nfs/dbraw/zinc/23/27/40/947232740.db2.gz RKYBGAGBEZJSOW-KRWDZBQOSA-N 2 1 322.453 0.165 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCOCC)C1 ZINC001263835612 948772266 /nfs/dbraw/zinc/77/22/66/948772266.db2.gz YYZGYWREXZKAQC-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCOCC)C1 ZINC001263835612 948772274 /nfs/dbraw/zinc/77/22/74/948772274.db2.gz YYZGYWREXZKAQC-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264078841 948865515 /nfs/dbraw/zinc/86/55/15/948865515.db2.gz SDHCAFRADPTOPU-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001264078841 948865533 /nfs/dbraw/zinc/86/55/33/948865533.db2.gz SDHCAFRADPTOPU-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001264078841 948865545 /nfs/dbraw/zinc/86/55/45/948865545.db2.gz SDHCAFRADPTOPU-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001264077152 948868877 /nfs/dbraw/zinc/86/88/77/948868877.db2.gz UONKEUGGMQJBQD-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001264077152 948868893 /nfs/dbraw/zinc/86/88/93/948868893.db2.gz UONKEUGGMQJBQD-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001264077152 948868911 /nfs/dbraw/zinc/86/89/11/948868911.db2.gz UONKEUGGMQJBQD-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001264634144 949040699 /nfs/dbraw/zinc/04/06/99/949040699.db2.gz KHHFXVSGSMNDSD-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264634144 949040708 /nfs/dbraw/zinc/04/07/08/949040708.db2.gz KHHFXVSGSMNDSD-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001264634144 949040731 /nfs/dbraw/zinc/04/07/31/949040731.db2.gz KHHFXVSGSMNDSD-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001264663497 949057035 /nfs/dbraw/zinc/05/70/35/949057035.db2.gz KSEWLJHCZHLDQO-INIZCTEOSA-N 2 1 305.422 0.124 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001264663497 949057052 /nfs/dbraw/zinc/05/70/52/949057052.db2.gz KSEWLJHCZHLDQO-INIZCTEOSA-N 2 1 305.422 0.124 20 30 DCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001264663497 949057069 /nfs/dbraw/zinc/05/70/69/949057069.db2.gz KSEWLJHCZHLDQO-INIZCTEOSA-N 2 1 305.422 0.124 20 30 DCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001264663497 949057091 /nfs/dbraw/zinc/05/70/91/949057091.db2.gz KSEWLJHCZHLDQO-INIZCTEOSA-N 2 1 305.422 0.124 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001488743214 949186155 /nfs/dbraw/zinc/18/61/55/949186155.db2.gz DRHRNTVPRYQIDB-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C[C@@H](C)O)C1CC1 ZINC001265164545 949397847 /nfs/dbraw/zinc/39/78/47/949397847.db2.gz LVTCRCGWRLGNCJ-ZBFHGGJFSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C[C@@H](C)O)C1CC1 ZINC001265164545 949397851 /nfs/dbraw/zinc/39/78/51/949397851.db2.gz LVTCRCGWRLGNCJ-ZBFHGGJFSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C[C@@H](C)O)C1CC1 ZINC001265164545 949397870 /nfs/dbraw/zinc/39/78/70/949397870.db2.gz LVTCRCGWRLGNCJ-ZBFHGGJFSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C[C@@H](C)O)C1CC1 ZINC001265164545 949397894 /nfs/dbraw/zinc/39/78/94/949397894.db2.gz LVTCRCGWRLGNCJ-ZBFHGGJFSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1OCC ZINC001489010250 949431609 /nfs/dbraw/zinc/43/16/09/949431609.db2.gz BELGUEMCNNSAMU-HZPDHXFCSA-N 2 1 318.421 0.668 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265308277 949584943 /nfs/dbraw/zinc/58/49/43/949584943.db2.gz PPOBNBFQTDDSOW-HNNXBMFYSA-N 2 1 311.426 0.102 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265308277 949584961 /nfs/dbraw/zinc/58/49/61/949584961.db2.gz PPOBNBFQTDDSOW-HNNXBMFYSA-N 2 1 311.426 0.102 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490233307 950437788 /nfs/dbraw/zinc/43/77/88/950437788.db2.gz MAUJTSTVBGJQIN-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001490233307 950437800 /nfs/dbraw/zinc/43/78/00/950437800.db2.gz MAUJTSTVBGJQIN-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001490233307 950437813 /nfs/dbraw/zinc/43/78/13/950437813.db2.gz MAUJTSTVBGJQIN-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001279116109 950515264 /nfs/dbraw/zinc/51/52/64/950515264.db2.gz YMYZYEAOVXQQKU-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001279490030 950602214 /nfs/dbraw/zinc/60/22/14/950602214.db2.gz JRYRMTYRQDQLQB-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001279637159 950652127 /nfs/dbraw/zinc/65/21/27/950652127.db2.gz SLIRBZXLIKWVOR-QGZVFWFLSA-N 2 1 321.465 0.971 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)[C@H](C)C(N)=O)CC1 ZINC001490362802 950663568 /nfs/dbraw/zinc/66/35/68/950663568.db2.gz ZICKGDMPGJHYEA-CQSZACIVSA-N 2 1 322.453 0.034 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001331297453 951063313 /nfs/dbraw/zinc/06/33/13/951063313.db2.gz RREGGWKJEBIRLK-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001281142574 951323948 /nfs/dbraw/zinc/32/39/48/951323948.db2.gz FEGFUXLBIKHMLG-INIZCTEOSA-N 2 1 304.394 0.158 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001281184855 951358885 /nfs/dbraw/zinc/35/88/85/951358885.db2.gz OPIASTXXGYBEPY-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274134194 951440485 /nfs/dbraw/zinc/44/04/85/951440485.db2.gz QELYZWXILRZILG-GXMNPTEKSA-N 2 1 308.426 0.035 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001332050458 951453854 /nfs/dbraw/zinc/45/38/54/951453854.db2.gz PJXVKABHYUCWIB-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332199438 951517963 /nfs/dbraw/zinc/51/79/63/951517963.db2.gz PGTNPMPASXDONZ-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332199438 951517968 /nfs/dbraw/zinc/51/79/68/951517968.db2.gz PGTNPMPASXDONZ-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274444136 951635136 /nfs/dbraw/zinc/63/51/36/951635136.db2.gz BJDSTYIOBKJZPI-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274444136 951635139 /nfs/dbraw/zinc/63/51/39/951635139.db2.gz BJDSTYIOBKJZPI-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001274589637 951720850 /nfs/dbraw/zinc/72/08/50/951720850.db2.gz RSQWZKHPDSKZAO-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274619860 951746986 /nfs/dbraw/zinc/74/69/86/951746986.db2.gz FEMQLDWQPXPCQE-RDJZCZTQSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2nocc2C)CC1 ZINC001275459011 952163586 /nfs/dbraw/zinc/16/35/86/952163586.db2.gz JLTOYUAPOHLGPO-AWEZNQCLSA-N 2 1 318.421 0.923 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001341732432 953248458 /nfs/dbraw/zinc/24/84/58/953248458.db2.gz JXFPCCMRUXCXLD-HOTGVXAUSA-N 2 1 308.470 0.908 20 30 DCEDMP C#CCNCC(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1 ZINC001344435343 953480607 /nfs/dbraw/zinc/48/06/07/953480607.db2.gz GYHOUCVPDCULAD-KRWDZBQOSA-N 2 1 315.417 0.535 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001366481767 954258535 /nfs/dbraw/zinc/25/85/35/954258535.db2.gz CVKOTECPMFHENX-ZDUSSCGKSA-N 2 1 303.834 0.946 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCOCC[N@H+](C)C(C)C)CC1 ZINC001283426380 954349488 /nfs/dbraw/zinc/34/94/88/954349488.db2.gz WNGYAYDWFFFLJI-UHFFFAOYSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284056102 954818522 /nfs/dbraw/zinc/81/85/22/954818522.db2.gz DYRDOJLWRRQVTO-NUJGCVRESA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284056102 954818536 /nfs/dbraw/zinc/81/85/36/954818536.db2.gz DYRDOJLWRRQVTO-NUJGCVRESA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001284056102 954818551 /nfs/dbraw/zinc/81/85/51/954818551.db2.gz DYRDOJLWRRQVTO-NUJGCVRESA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001284056102 954818563 /nfs/dbraw/zinc/81/85/63/954818563.db2.gz DYRDOJLWRRQVTO-NUJGCVRESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H]1CCCCO1 ZINC001492293920 959856922 /nfs/dbraw/zinc/85/69/22/959856922.db2.gz QVSYWFBBHQHGAG-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@H]1CCCCO1 ZINC001492293920 959856929 /nfs/dbraw/zinc/85/69/29/959856929.db2.gz QVSYWFBBHQHGAG-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H]1CCCCO1 ZINC001492293920 959856935 /nfs/dbraw/zinc/85/69/35/959856935.db2.gz QVSYWFBBHQHGAG-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H]1CCCCO1 ZINC001492293920 959856943 /nfs/dbraw/zinc/85/69/43/959856943.db2.gz QVSYWFBBHQHGAG-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001316747464 960361223 /nfs/dbraw/zinc/36/12/23/960361223.db2.gz JACJYKYMIJBJKD-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001316747464 960361228 /nfs/dbraw/zinc/36/12/28/960361228.db2.gz JACJYKYMIJBJKD-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001316747464 960361233 /nfs/dbraw/zinc/36/12/33/960361233.db2.gz JACJYKYMIJBJKD-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001316796965 960378935 /nfs/dbraw/zinc/37/89/35/960378935.db2.gz XRSFYHKVNPDPOI-ILXRZTDVSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001316796965 960378942 /nfs/dbraw/zinc/37/89/42/960378942.db2.gz XRSFYHKVNPDPOI-ILXRZTDVSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001316796965 960378952 /nfs/dbraw/zinc/37/89/52/960378952.db2.gz XRSFYHKVNPDPOI-ILXRZTDVSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001316796965 960378964 /nfs/dbraw/zinc/37/89/64/960378964.db2.gz XRSFYHKVNPDPOI-ILXRZTDVSA-N 2 1 322.453 0.209 20 30 DCEDMP CN(CCC#N)C(=O)CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001363829579 961976373 /nfs/dbraw/zinc/97/63/73/961976373.db2.gz BDUZYYAVYPQDOO-UHFFFAOYSA-N 2 1 322.453 0.982 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001380550715 963347649 /nfs/dbraw/zinc/34/76/49/963347649.db2.gz IASAJUFHAYXZCK-UKRRQHHQSA-N 2 1 317.861 0.878 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001380550715 963347660 /nfs/dbraw/zinc/34/76/60/963347660.db2.gz IASAJUFHAYXZCK-UKRRQHHQSA-N 2 1 317.861 0.878 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001448835063 1014064659 /nfs/dbraw/zinc/06/46/59/1014064659.db2.gz DXBSZPUVTLUAIR-OLZOCXBDSA-N 2 1 301.818 0.147 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C#N ZINC001392391660 991863352 /nfs/dbraw/zinc/86/33/52/991863352.db2.gz MLMRJVHOSVVZAN-HZPDHXFCSA-N 2 1 316.405 0.219 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001505446590 1016247639 /nfs/dbraw/zinc/24/76/39/1016247639.db2.gz OKMSDINVZQZTCP-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001505446590 1016247646 /nfs/dbraw/zinc/24/76/46/1016247646.db2.gz OKMSDINVZQZTCP-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001505446590 1016247648 /nfs/dbraw/zinc/24/76/48/1016247648.db2.gz OKMSDINVZQZTCP-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001505710997 1016475894 /nfs/dbraw/zinc/47/58/94/1016475894.db2.gz XXFVVHRCQFUVBN-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001420186573 1001999229 /nfs/dbraw/zinc/99/92/29/1001999229.db2.gz BZZDUOIGJCLCNR-HOTGVXAUSA-N 2 1 316.405 0.077 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001425837162 1003165442 /nfs/dbraw/zinc/16/54/42/1003165442.db2.gz DIMYKDDNGXRDDR-GFCCVEGCSA-N 2 1 324.450 0.527 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001425843062 1003171770 /nfs/dbraw/zinc/17/17/70/1003171770.db2.gz RNBNSPFNNPQEDY-ZDUSSCGKSA-N 2 1 303.834 0.682 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001565497379 1012172977 /nfs/dbraw/zinc/17/29/77/1012172977.db2.gz LIIDXNYNYGPOFC-INIZCTEOSA-N 2 1 306.454 0.973 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001506665639 1017451578 /nfs/dbraw/zinc/45/15/78/1017451578.db2.gz NNDJLCXCGIPQTC-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001479660590 1017639322 /nfs/dbraw/zinc/63/93/22/1017639322.db2.gz CFWPHDBREXYXBP-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001479660590 1017639328 /nfs/dbraw/zinc/63/93/28/1017639328.db2.gz CFWPHDBREXYXBP-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001479660590 1017639334 /nfs/dbraw/zinc/63/93/34/1017639334.db2.gz CFWPHDBREXYXBP-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001479812983 1017819607 /nfs/dbraw/zinc/81/96/07/1017819607.db2.gz VPRAYZQBJWPJRE-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001494725509 1017983186 /nfs/dbraw/zinc/98/31/86/1017983186.db2.gz WPPASMYSEDQRHA-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001494725509 1017983194 /nfs/dbraw/zinc/98/31/94/1017983194.db2.gz WPPASMYSEDQRHA-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001494725509 1017983206 /nfs/dbraw/zinc/98/32/06/1017983206.db2.gz WPPASMYSEDQRHA-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001494725509 1017983216 /nfs/dbraw/zinc/98/32/16/1017983216.db2.gz WPPASMYSEDQRHA-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001479930921 1017995511 /nfs/dbraw/zinc/99/55/11/1017995511.db2.gz PJXBYBBDQMZTFB-KRWDZBQOSA-N 2 1 318.465 0.085 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001500288875 1018383876 /nfs/dbraw/zinc/38/38/76/1018383876.db2.gz DAGQWSACXGMOPF-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001500288875 1018383883 /nfs/dbraw/zinc/38/38/83/1018383883.db2.gz DAGQWSACXGMOPF-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001480264712 1018386721 /nfs/dbraw/zinc/38/67/21/1018386721.db2.gz GNWMRZYGZDTYSP-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498312336 1018936942 /nfs/dbraw/zinc/93/69/42/1018936942.db2.gz JFSYPAGMSIHYAQ-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498312336 1018936952 /nfs/dbraw/zinc/93/69/52/1018936952.db2.gz JFSYPAGMSIHYAQ-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001501285801 1019010666 /nfs/dbraw/zinc/01/06/66/1019010666.db2.gz KCLVDBBGBFJDCM-OAHLLOKOSA-N 2 1 306.454 0.132 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)C[NH+](CC)CC ZINC001496069964 1019030410 /nfs/dbraw/zinc/03/04/10/1019030410.db2.gz SHSGBQDRTBVEBD-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)C[NH+](CC)CC ZINC001496069964 1019030433 /nfs/dbraw/zinc/03/04/33/1019030433.db2.gz SHSGBQDRTBVEBD-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001493113045 1019112519 /nfs/dbraw/zinc/11/25/19/1019112519.db2.gz WSCJQNRSITWUMD-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001494093035 1019979277 /nfs/dbraw/zinc/97/92/77/1019979277.db2.gz VHOIOBVJGJZMAM-HZPDHXFCSA-N 2 1 306.454 0.036 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001494093035 1019979286 /nfs/dbraw/zinc/97/92/86/1019979286.db2.gz VHOIOBVJGJZMAM-HZPDHXFCSA-N 2 1 306.454 0.036 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001494093035 1019979289 /nfs/dbraw/zinc/97/92/89/1019979289.db2.gz VHOIOBVJGJZMAM-HZPDHXFCSA-N 2 1 306.454 0.036 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001494093035 1019979299 /nfs/dbraw/zinc/97/92/99/1019979299.db2.gz VHOIOBVJGJZMAM-HZPDHXFCSA-N 2 1 306.454 0.036 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001494093035 1019979305 /nfs/dbraw/zinc/97/93/05/1019979305.db2.gz VHOIOBVJGJZMAM-HZPDHXFCSA-N 2 1 306.454 0.036 20 30 DCEDMP Cc1nc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cs1 ZINC000264062345 238188055 /nfs/dbraw/zinc/18/80/55/238188055.db2.gz DFGHYNZKFFHHDY-UHFFFAOYSA-N 2 1 311.455 0.621 20 30 DCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])Nc1ccccn1 ZINC000264291162 238194849 /nfs/dbraw/zinc/19/48/49/238194849.db2.gz PWRYKKBDILTWBE-CYBMUJFWSA-N 2 1 318.425 0.751 20 30 DCEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CCOCC1 ZINC000273041519 238288197 /nfs/dbraw/zinc/28/81/97/238288197.db2.gz ZNYNTHRCGIJVEX-INIZCTEOSA-N 2 1 318.421 0.400 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@H](C)C#N ZINC000352412731 285251022 /nfs/dbraw/zinc/25/10/22/285251022.db2.gz IHRFMFMKOKEWDS-ZIAGYGMSSA-N 2 1 316.471 0.576 20 30 DCEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1nccs1 ZINC000273466296 533363869 /nfs/dbraw/zinc/36/38/69/533363869.db2.gz IMPXJCVLQZKCLT-LBPRGKRZSA-N 2 1 311.455 0.873 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000069501022 396080985 /nfs/dbraw/zinc/08/09/85/396080985.db2.gz IZNOEOGYQQBTAC-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)[N@H+](C)C1 ZINC000329197297 286090365 /nfs/dbraw/zinc/09/03/65/286090365.db2.gz UDHYBDGHISLQTE-IHRRRGAJSA-N 2 1 321.425 0.763 20 30 DCEDMP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)[N@@H+](C)C1 ZINC000329197297 286090367 /nfs/dbraw/zinc/09/03/67/286090367.db2.gz UDHYBDGHISLQTE-IHRRRGAJSA-N 2 1 321.425 0.763 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000490574326 416569042 /nfs/dbraw/zinc/56/90/42/416569042.db2.gz PEFYWJJKGVWJEX-UHFFFAOYSA-N 2 1 320.481 0.475 20 30 DCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424154714 416618597 /nfs/dbraw/zinc/61/85/97/416618597.db2.gz LTUULTHHNOOUJG-KBPBESRZSA-N 2 1 323.441 0.066 20 30 DCEDMP C=CCC[C@@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000449701940 417167911 /nfs/dbraw/zinc/16/79/11/417167911.db2.gz XYCGVTMCWPUHHW-HNNXBMFYSA-N 2 1 305.426 0.645 20 30 DCEDMP C[NH+]=C(NCC1(O)CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261661551 275405190 /nfs/dbraw/zinc/40/51/90/275405190.db2.gz FYGLRJQPMDXZHW-OAHLLOKOSA-N 2 1 324.469 0.521 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261750742 280840240 /nfs/dbraw/zinc/84/02/40/280840240.db2.gz NJWWPYGWIRGTRH-HOTGVXAUSA-N 2 1 324.469 0.785 20 30 DCEDMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330222445 336126435 /nfs/dbraw/zinc/12/64/35/336126435.db2.gz MJUJNONSWQLMFU-CQSZACIVSA-N 2 1 308.426 0.734 20 30 DCEDMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330222445 336126437 /nfs/dbraw/zinc/12/64/37/336126437.db2.gz MJUJNONSWQLMFU-CQSZACIVSA-N 2 1 308.426 0.734 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000131569780 341097447 /nfs/dbraw/zinc/09/74/47/341097447.db2.gz OCDFRESNFMECMD-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP COc1ccc(NC(=[NH2+])NC[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000262315143 533992585 /nfs/dbraw/zinc/99/25/85/533992585.db2.gz QOSXDGMNLUTLHA-HNNXBMFYSA-N 2 1 308.382 0.497 20 30 DCEDMP C[NH+]=C(NCc1ccn(C)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261825329 526386871 /nfs/dbraw/zinc/38/68/71/526386871.db2.gz UUVLKYZUJIVVQA-MRXNPFEDSA-N 2 1 319.453 0.755 20 30 DCEDMP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261946669 526392362 /nfs/dbraw/zinc/39/23/62/526392362.db2.gz GBFZSCFMZKVUJM-GXFFZTMASA-N 2 1 305.430 0.271 20 30 DCEDMP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000261974141 526392678 /nfs/dbraw/zinc/39/26/78/526392678.db2.gz NJFMQJDDKGQNGF-ZYHUDNBSSA-N 2 1 305.430 0.414 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000261992820 528809953 /nfs/dbraw/zinc/80/99/53/528809953.db2.gz RTMDBJMLIYBXBS-KGLIPLIRSA-N 2 1 313.515 0.683 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC)CC2(C)C)CC1 ZINC000977660672 660412989 /nfs/dbraw/zinc/41/29/89/660412989.db2.gz ZSDMHTUBNLTLBH-MRXNPFEDSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978324908 660520562 /nfs/dbraw/zinc/52/05/62/660520562.db2.gz ZRYZUQQDOLCNDV-PHZGNYQRSA-N 2 1 301.434 0.790 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000978413422 660535414 /nfs/dbraw/zinc/53/54/14/660535414.db2.gz LVRSXIGFHJDDJH-QKDCVEJESA-N 2 1 316.405 0.667 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000978413422 660535417 /nfs/dbraw/zinc/53/54/17/660535417.db2.gz LVRSXIGFHJDDJH-QKDCVEJESA-N 2 1 316.405 0.667 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979069956 660657445 /nfs/dbraw/zinc/65/74/45/660657445.db2.gz FWEWERDEKAVUPO-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979069956 660657446 /nfs/dbraw/zinc/65/74/46/660657446.db2.gz FWEWERDEKAVUPO-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979069956 660657447 /nfs/dbraw/zinc/65/74/47/660657447.db2.gz FWEWERDEKAVUPO-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979069956 660657448 /nfs/dbraw/zinc/65/74/48/660657448.db2.gz FWEWERDEKAVUPO-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036761 661092027 /nfs/dbraw/zinc/09/20/27/661092027.db2.gz GNCIOVAIUCRSSM-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036761 661092032 /nfs/dbraw/zinc/09/20/32/661092032.db2.gz GNCIOVAIUCRSSM-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036761 661092033 /nfs/dbraw/zinc/09/20/33/661092033.db2.gz GNCIOVAIUCRSSM-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028194993 661270246 /nfs/dbraw/zinc/27/02/46/661270246.db2.gz IGASIUVEBGDMKN-INIZCTEOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522055 657575209 /nfs/dbraw/zinc/57/52/09/657575209.db2.gz GDFMCYFDWIHYQG-HNNXBMFYSA-N 2 1 303.410 0.224 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001023447080 657875733 /nfs/dbraw/zinc/87/57/33/657875733.db2.gz FIXMBKOBORANOX-LSDHHAIUSA-N 2 1 300.406 0.907 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023553216 657981238 /nfs/dbraw/zinc/98/12/38/657981238.db2.gz XRGVHSNWQZFWOX-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023553216 657981242 /nfs/dbraw/zinc/98/12/42/657981242.db2.gz XRGVHSNWQZFWOX-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001039042882 657991326 /nfs/dbraw/zinc/99/13/26/657991326.db2.gz YJZKOBOYIAZNND-WBVHZDCISA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999355853 665631347 /nfs/dbraw/zinc/63/13/47/665631347.db2.gz YCIRTDUNKSTNBB-CABCVRRESA-N 2 1 305.426 0.580 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001018985651 659346928 /nfs/dbraw/zinc/34/69/28/659346928.db2.gz WZSOWVFQSAUKAC-PMPSAXMXSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001018985651 659346936 /nfs/dbraw/zinc/34/69/36/659346936.db2.gz WZSOWVFQSAUKAC-PMPSAXMXSA-N 2 1 305.422 0.311 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799060 659565942 /nfs/dbraw/zinc/56/59/42/659565942.db2.gz REMFUFQRYVSGAC-ARKGTOAJSA-N 2 1 305.422 0.472 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025799060 659565945 /nfs/dbraw/zinc/56/59/45/659565945.db2.gz REMFUFQRYVSGAC-ARKGTOAJSA-N 2 1 305.422 0.472 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001028333516 661461263 /nfs/dbraw/zinc/46/12/63/661461263.db2.gz MQQCKMSUGSHCKR-MRXNPFEDSA-N 2 1 307.438 0.295 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NCC1(C(=O)N(C)C)CCCC1 ZINC000262575602 662491531 /nfs/dbraw/zinc/49/15/31/662491531.db2.gz ZZAWIZWCGRWVNH-AWEZNQCLSA-N 2 1 323.485 0.752 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000716699 665920773 /nfs/dbraw/zinc/92/07/73/665920773.db2.gz YQXKPYKWVOXUNJ-SJORKVTESA-N 2 1 317.433 0.621 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000716699 665920777 /nfs/dbraw/zinc/92/07/77/665920777.db2.gz YQXKPYKWVOXUNJ-SJORKVTESA-N 2 1 317.433 0.621 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000716699 665920779 /nfs/dbraw/zinc/92/07/79/665920779.db2.gz YQXKPYKWVOXUNJ-SJORKVTESA-N 2 1 317.433 0.621 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000900695226 663269374 /nfs/dbraw/zinc/26/93/74/663269374.db2.gz NZPNVRIWRZFSPG-UHFFFAOYSA-N 2 1 310.486 0.884 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000900693186 663272641 /nfs/dbraw/zinc/27/26/41/663272641.db2.gz OGDJYADPHSUMIH-UHFFFAOYSA-N 3 1 310.486 0.979 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000900693186 663272642 /nfs/dbraw/zinc/27/26/42/663272642.db2.gz OGDJYADPHSUMIH-UHFFFAOYSA-N 2 1 310.486 0.979 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358281 664122274 /nfs/dbraw/zinc/12/22/74/664122274.db2.gz IODPUFQXLRFLQK-PNBKFKSVSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358281 664122275 /nfs/dbraw/zinc/12/22/75/664122275.db2.gz IODPUFQXLRFLQK-PNBKFKSVSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358281 664122278 /nfs/dbraw/zinc/12/22/78/664122278.db2.gz IODPUFQXLRFLQK-PNBKFKSVSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358281 664122280 /nfs/dbraw/zinc/12/22/80/664122280.db2.gz IODPUFQXLRFLQK-PNBKFKSVSA-N 2 1 305.422 0.452 20 30 DCEDMP COc1cccc(NC(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000170912681 664595261 /nfs/dbraw/zinc/59/52/61/664595261.db2.gz HGFRUYPKUAYPEM-UHFFFAOYSA-N 2 1 319.409 0.586 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000170912908 664595477 /nfs/dbraw/zinc/59/54/77/664595477.db2.gz JZVMHFKPKIHFSY-AWEZNQCLSA-N 2 1 311.474 0.486 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCOC)[C@@H]2C)CC1 ZINC000994493561 665116495 /nfs/dbraw/zinc/11/64/95/665116495.db2.gz DTJKKORRUHDXMS-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000919735590 665231557 /nfs/dbraw/zinc/23/15/57/665231557.db2.gz ZNTGKOXFEYISNS-OAHLLOKOSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677649 666039533 /nfs/dbraw/zinc/03/95/33/666039533.db2.gz RTKOYGIAXXXTGF-HOTGVXAUSA-N 2 1 320.481 0.874 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001001462217 666054834 /nfs/dbraw/zinc/05/48/34/666054834.db2.gz NTHXTXRBYWDTIC-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001462217 666054836 /nfs/dbraw/zinc/05/48/36/666054836.db2.gz NTHXTXRBYWDTIC-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001462217 666054838 /nfs/dbraw/zinc/05/48/38/666054838.db2.gz NTHXTXRBYWDTIC-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001462217 666054840 /nfs/dbraw/zinc/05/48/40/666054840.db2.gz NTHXTXRBYWDTIC-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCN(C(=O)NCC[N@H+]1CCCOCC1)C1CC[NH+](C)CC1 ZINC000922611031 666496373 /nfs/dbraw/zinc/49/63/73/666496373.db2.gz YYMYJDBAIXMJMX-UHFFFAOYSA-N 2 1 322.453 0.448 20 30 DCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000996814487 666922924 /nfs/dbraw/zinc/92/29/24/666922924.db2.gz VVLYEDHGVWUEKW-GULBITTBSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001034716003 667119585 /nfs/dbraw/zinc/11/95/85/667119585.db2.gz YTZAHXRHHHFJDF-JYJNAYRXSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001034716003 667119587 /nfs/dbraw/zinc/11/95/87/667119587.db2.gz YTZAHXRHHHFJDF-JYJNAYRXSA-N 2 1 307.438 0.746 20 30 DCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCOCC1 ZINC000863550888 667156663 /nfs/dbraw/zinc/15/66/63/667156663.db2.gz DSCQABQIIGHTBZ-PMPSAXMXSA-N 2 1 323.437 0.511 20 30 DCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCOCC1 ZINC000863550888 667156667 /nfs/dbraw/zinc/15/66/67/667156667.db2.gz DSCQABQIIGHTBZ-PMPSAXMXSA-N 2 1 323.437 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC#C)CC1 ZINC000997625644 667350405 /nfs/dbraw/zinc/35/04/05/667350405.db2.gz IJNALFPJUGHTMG-RDJZCZTQSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC#C)CC1 ZINC000997625644 667350408 /nfs/dbraw/zinc/35/04/08/667350408.db2.gz IJNALFPJUGHTMG-RDJZCZTQSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997624077 667350417 /nfs/dbraw/zinc/35/04/17/667350417.db2.gz KRKFYJCXYBESTC-ZOBUZTSGSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997624077 667350420 /nfs/dbraw/zinc/35/04/20/667350420.db2.gz KRKFYJCXYBESTC-ZOBUZTSGSA-N 2 1 321.465 0.682 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CC2 ZINC001035854030 667414667 /nfs/dbraw/zinc/41/46/67/667414667.db2.gz VLXNFZNAVCQYIJ-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035854030 667414668 /nfs/dbraw/zinc/41/46/68/667414668.db2.gz VLXNFZNAVCQYIJ-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884249544 667508842 /nfs/dbraw/zinc/50/88/42/667508842.db2.gz NKTVVRXQHUFISC-FXAINCCUSA-N 2 1 312.295 0.933 20 30 DCEDMP C#CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000886578735 667778378 /nfs/dbraw/zinc/77/83/78/667778378.db2.gz JUIGLQFAHVRFSS-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+]1CCN(CCCN2CC[NH+](CCC#C)CC2)CC1 ZINC000776592178 668878848 /nfs/dbraw/zinc/87/88/48/668878848.db2.gz BUJVUYFSWUUIKK-UHFFFAOYSA-N 2 1 316.493 0.658 20 30 DCEDMP CN(CCC#N)C(=O)CCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286929 669174139 /nfs/dbraw/zinc/17/41/39/669174139.db2.gz PWNOYAQNKSRETB-UHFFFAOYSA-N 2 1 322.453 0.935 20 30 DCEDMP CN(CCC#N)C(=O)CC[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931286929 669174142 /nfs/dbraw/zinc/17/41/42/669174142.db2.gz PWNOYAQNKSRETB-UHFFFAOYSA-N 2 1 322.453 0.935 20 30 DCEDMP CN(CCC#N)C(=O)CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286929 669174145 /nfs/dbraw/zinc/17/41/45/669174145.db2.gz PWNOYAQNKSRETB-UHFFFAOYSA-N 2 1 322.453 0.935 20 30 DCEDMP CN(CCC#N)C(=O)CC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286929 669174149 /nfs/dbraw/zinc/17/41/49/669174149.db2.gz PWNOYAQNKSRETB-UHFFFAOYSA-N 2 1 322.453 0.935 20 30 DCEDMP C#CCOCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000847719407 670594086 /nfs/dbraw/zinc/59/40/86/670594086.db2.gz LSJPKGXBPKWRIX-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)C2)CC1 ZINC000852868397 671180330 /nfs/dbraw/zinc/18/03/30/671180330.db2.gz RUBHPYVKRGYILJ-INIZCTEOSA-N 2 1 318.465 0.274 20 30 DCEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)C2)CC1 ZINC000852868397 671180332 /nfs/dbraw/zinc/18/03/32/671180332.db2.gz RUBHPYVKRGYILJ-INIZCTEOSA-N 2 1 318.465 0.274 20 30 DCEDMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885685 671185644 /nfs/dbraw/zinc/18/56/44/671185644.db2.gz RYGLWHDWKJXDDQ-UHFFFAOYSA-N 2 1 306.454 0.085 20 30 DCEDMP C#CC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000830306015 671622579 /nfs/dbraw/zinc/62/25/79/671622579.db2.gz ZWZYJCDICKITDH-KRWDZBQOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001691535757 1158318846 /nfs/dbraw/zinc/31/88/46/1158318846.db2.gz KAZFZGMVDHUKPS-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001691535757 1158318854 /nfs/dbraw/zinc/31/88/54/1158318854.db2.gz KAZFZGMVDHUKPS-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Cn1cccn1 ZINC000303878978 685208637 /nfs/dbraw/zinc/20/86/37/685208637.db2.gz JKCNTFFXBYSPSU-AWEZNQCLSA-N 2 1 308.430 0.146 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000957527611 687076418 /nfs/dbraw/zinc/07/64/18/687076418.db2.gz RCGBIIJNNSACQV-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000957527611 687076422 /nfs/dbraw/zinc/07/64/22/687076422.db2.gz RCGBIIJNNSACQV-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](C)COC)CC2)CC1 ZINC000957768311 687180544 /nfs/dbraw/zinc/18/05/44/687180544.db2.gz XBDBUNXZZNZANR-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958263104 687491557 /nfs/dbraw/zinc/49/15/57/687491557.db2.gz NQBPRDDICJGYBR-ZBFHGGJFSA-N 2 1 314.389 0.933 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344729 687564112 /nfs/dbraw/zinc/56/41/12/687564112.db2.gz JLFLGRMVMXCMMX-KGLIPLIRSA-N 2 1 307.394 0.550 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC000958555762 687742237 /nfs/dbraw/zinc/74/22/37/687742237.db2.gz NNXJHPIRKKJJGG-HZPDHXFCSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958580318 687767174 /nfs/dbraw/zinc/76/71/74/687767174.db2.gz FJTCNNZYMBDZMA-DLBZAZTESA-N 2 1 321.465 0.703 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C(C)C)C[C@H]2O)CC1 ZINC000958722880 687875755 /nfs/dbraw/zinc/87/57/55/687875755.db2.gz ARMGPMYGEYUSMZ-JKSUJKDBSA-N 2 1 307.438 0.149 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000961583970 688661949 /nfs/dbraw/zinc/66/19/49/688661949.db2.gz VYUPZDXBCIHYRB-XUWVNRHRSA-N 2 1 307.438 0.718 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000961583970 688661951 /nfs/dbraw/zinc/66/19/51/688661951.db2.gz VYUPZDXBCIHYRB-XUWVNRHRSA-N 2 1 307.438 0.718 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961583970 688661954 /nfs/dbraw/zinc/66/19/54/688661954.db2.gz VYUPZDXBCIHYRB-XUWVNRHRSA-N 2 1 307.438 0.718 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961583970 688661957 /nfs/dbraw/zinc/66/19/57/688661957.db2.gz VYUPZDXBCIHYRB-XUWVNRHRSA-N 2 1 307.438 0.718 20 30 DCEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966170858 689665735 /nfs/dbraw/zinc/66/57/35/689665735.db2.gz YNQRVUBECFFYEI-GOEBONIOSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966170858 689665738 /nfs/dbraw/zinc/66/57/38/689665738.db2.gz YNQRVUBECFFYEI-GOEBONIOSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC)CC[C@@H]2C)CC1 ZINC000968681618 690365057 /nfs/dbraw/zinc/36/50/57/690365057.db2.gz KQGGCSTWVHQBEQ-DOTOQJQBSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000968954413 690434094 /nfs/dbraw/zinc/43/40/94/690434094.db2.gz JROPLHMZMBTSFW-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000968954413 690434098 /nfs/dbraw/zinc/43/40/98/690434098.db2.gz JROPLHMZMBTSFW-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040245799 694520976 /nfs/dbraw/zinc/52/09/76/694520976.db2.gz XUSKNZRDNJPFJW-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040245799 694520978 /nfs/dbraw/zinc/52/09/78/694520978.db2.gz XUSKNZRDNJPFJW-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCO)C2 ZINC001040245799 694520981 /nfs/dbraw/zinc/52/09/81/694520981.db2.gz XUSKNZRDNJPFJW-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCO)C2 ZINC001040245799 694520984 /nfs/dbraw/zinc/52/09/84/694520984.db2.gz XUSKNZRDNJPFJW-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016669913 692743520 /nfs/dbraw/zinc/74/35/20/692743520.db2.gz MUDWEQHPFMVPSY-GJZGRUSLSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016669913 692743523 /nfs/dbraw/zinc/74/35/23/692743523.db2.gz MUDWEQHPFMVPSY-GJZGRUSLSA-N 2 1 305.422 0.047 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518578 693505220 /nfs/dbraw/zinc/50/52/20/693505220.db2.gz UJBFJBQJIAICRA-ZDUSSCGKSA-N 2 1 301.818 0.652 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCF)C2 ZINC001072822824 694670432 /nfs/dbraw/zinc/67/04/32/694670432.db2.gz UWZGAAGVGBROMU-HNNXBMFYSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCF)C2 ZINC001072822824 694670433 /nfs/dbraw/zinc/67/04/33/694670433.db2.gz UWZGAAGVGBROMU-HNNXBMFYSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCF)C2 ZINC001072822824 694670435 /nfs/dbraw/zinc/67/04/35/694670435.db2.gz UWZGAAGVGBROMU-HNNXBMFYSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCF)C2 ZINC001072822824 694670436 /nfs/dbraw/zinc/67/04/36/694670436.db2.gz UWZGAAGVGBROMU-HNNXBMFYSA-N 2 1 307.413 0.978 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCCO)C3)CC1 ZINC001073457599 694729012 /nfs/dbraw/zinc/72/90/12/694729012.db2.gz XQXWGQLOIQEIGC-UHFFFAOYSA-N 2 1 319.449 0.248 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677267 694765920 /nfs/dbraw/zinc/76/59/20/694765920.db2.gz BWNWFGBGTAQHFC-HNNXBMFYSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677267 694765921 /nfs/dbraw/zinc/76/59/21/694765921.db2.gz BWNWFGBGTAQHFC-HNNXBMFYSA-N 2 1 305.422 0.455 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001571593103 1162836657 /nfs/dbraw/zinc/83/66/57/1162836657.db2.gz YTKHNQUPYOTXFW-OAHLLOKOSA-N 2 1 306.410 0.404 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC[C@H]2CCCO2)CC1 ZINC001691000551 1157396794 /nfs/dbraw/zinc/39/67/94/1157396794.db2.gz KSYOIOCYQCOKOV-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC#CCOC)C1CC1 ZINC001670480028 1157448399 /nfs/dbraw/zinc/44/83/99/1157448399.db2.gz LSQWJNIKXBTTIZ-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001691146435 1157595272 /nfs/dbraw/zinc/59/52/72/1157595272.db2.gz ULMKQVNLGAJBKK-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001691415152 1157666908 /nfs/dbraw/zinc/66/69/08/1157666908.db2.gz UGRJHQYLZGTZOD-ZDUSSCGKSA-N 2 1 319.409 0.558 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001691940249 1157777038 /nfs/dbraw/zinc/77/70/38/1157777038.db2.gz MHBDLIKYVNMVAQ-KRWDZBQOSA-N 2 1 322.497 0.980 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001691535757 1158318838 /nfs/dbraw/zinc/31/88/38/1158318838.db2.gz KAZFZGMVDHUKPS-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001671684347 1158383574 /nfs/dbraw/zinc/38/35/74/1158383574.db2.gz NSXRDYLZTBXTPS-INIZCTEOSA-N 2 1 305.422 0.313 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001671684347 1158383613 /nfs/dbraw/zinc/38/36/13/1158383613.db2.gz NSXRDYLZTBXTPS-INIZCTEOSA-N 2 1 305.422 0.313 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001566632491 1160101688 /nfs/dbraw/zinc/10/16/88/1160101688.db2.gz CLZOMMJFRHRUBG-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001566871803 1160173212 /nfs/dbraw/zinc/17/32/12/1160173212.db2.gz LGLYYKITDUNVKB-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001566905708 1160181238 /nfs/dbraw/zinc/18/12/38/1160181238.db2.gz FGDVDBZDSPSACV-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001566951548 1160193164 /nfs/dbraw/zinc/19/31/64/1160193164.db2.gz LHCIWOHKSDEWMA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1c[nH+]cc1C ZINC001568332090 1160630910 /nfs/dbraw/zinc/63/09/10/1160630910.db2.gz GPWMESJCKHRAPE-INIZCTEOSA-N 2 1 320.437 0.962 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001568969974 1160904698 /nfs/dbraw/zinc/90/46/98/1160904698.db2.gz RTGBYAFJLROGNT-RYIQXIGLSA-N 2 1 307.438 0.771 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CCC=C)C2)CC1 ZINC001569765049 1161234236 /nfs/dbraw/zinc/23/42/36/1161234236.db2.gz IYXNSQQCNRRMNJ-GOSISDBHSA-N 2 1 319.449 0.461 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001569877087 1161290366 /nfs/dbraw/zinc/29/03/66/1161290366.db2.gz BGPCQAXXUJOWBQ-OWCLPIDISA-N 2 1 309.454 0.919 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001569947469 1161340289 /nfs/dbraw/zinc/34/02/89/1161340289.db2.gz HDIBPQBJULZPJY-OAHLLOKOSA-N 2 1 320.437 0.741 20 30 DCEDMP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC001580038203 1165481379 /nfs/dbraw/zinc/48/13/79/1165481379.db2.gz HJHVXGYRJAHNOU-CABCVRRESA-N 2 1 318.425 0.819 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001583970858 1166297119 /nfs/dbraw/zinc/29/71/19/1166297119.db2.gz KNLCVIKRVIDECT-ILXRZTDVSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001583970858 1166297122 /nfs/dbraw/zinc/29/71/22/1166297122.db2.gz KNLCVIKRVIDECT-ILXRZTDVSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656234723 1173855295 /nfs/dbraw/zinc/85/52/95/1173855295.db2.gz JYVXNSDYJJCBQX-JYJNAYRXSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001657079928 1173905249 /nfs/dbraw/zinc/90/52/49/1173905249.db2.gz WBRVYLGIGCBOIR-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001657079928 1173905253 /nfs/dbraw/zinc/90/52/53/1173905253.db2.gz WBRVYLGIGCBOIR-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001657079928 1173905256 /nfs/dbraw/zinc/90/52/56/1173905256.db2.gz WBRVYLGIGCBOIR-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001657079928 1173905259 /nfs/dbraw/zinc/90/52/59/1173905259.db2.gz WBRVYLGIGCBOIR-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001662141808 1174181739 /nfs/dbraw/zinc/18/17/39/1174181739.db2.gz GZVFUCUDLMZIAH-GPANFISMSA-N 2 1 307.438 0.747 20 30 DCEDMP CC#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001662141808 1174181744 /nfs/dbraw/zinc/18/17/44/1174181744.db2.gz GZVFUCUDLMZIAH-GPANFISMSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001665336560 1174507438 /nfs/dbraw/zinc/50/74/38/1174507438.db2.gz DKFDVKCWCRAHSN-UHFFFAOYSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665676417 1174549669 /nfs/dbraw/zinc/54/96/69/1174549669.db2.gz KZUDHQYKQLMRLR-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC001666372227 1174600850 /nfs/dbraw/zinc/60/08/50/1174600850.db2.gz XSZSMLGRQWIYHW-GASCZTMLSA-N 2 1 324.469 0.738 20 30 DCEDMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC001666372227 1174600852 /nfs/dbraw/zinc/60/08/52/1174600852.db2.gz XSZSMLGRQWIYHW-GASCZTMLSA-N 2 1 324.469 0.738 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001667923955 1174733268 /nfs/dbraw/zinc/73/32/68/1174733268.db2.gz GATXQYPAMYGRGX-KRWDZBQOSA-N 2 1 317.433 0.447 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCOCC1 ZINC001671952079 1175048028 /nfs/dbraw/zinc/04/80/28/1175048028.db2.gz ALKCTXZCCCGWDA-KRWDZBQOSA-N 2 1 319.449 0.751 20 30 DCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001672018517 1175062993 /nfs/dbraw/zinc/06/29/93/1175062993.db2.gz GVEVVJGIGCXMHE-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001672018517 1175062997 /nfs/dbraw/zinc/06/29/97/1175062997.db2.gz GVEVVJGIGCXMHE-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001672018517 1175063002 /nfs/dbraw/zinc/06/30/02/1175063002.db2.gz GVEVVJGIGCXMHE-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001675545739 1175371185 /nfs/dbraw/zinc/37/11/85/1175371185.db2.gz RBBMWHUMYFZFQE-LUKYLMHMSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001675545739 1175371190 /nfs/dbraw/zinc/37/11/90/1175371190.db2.gz RBBMWHUMYFZFQE-LUKYLMHMSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001675545739 1175371193 /nfs/dbraw/zinc/37/11/93/1175371193.db2.gz RBBMWHUMYFZFQE-LUKYLMHMSA-N 2 1 321.465 0.825 20 30 DCEDMP COCC#CC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001675673895 1175384063 /nfs/dbraw/zinc/38/40/63/1175384063.db2.gz XQTVUKSGKKRKJU-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001676895124 1175499534 /nfs/dbraw/zinc/49/95/34/1175499534.db2.gz WAHWIZKJKYAIKS-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001676895124 1175499536 /nfs/dbraw/zinc/49/95/36/1175499536.db2.gz WAHWIZKJKYAIKS-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1OCC ZINC001689074511 1176689690 /nfs/dbraw/zinc/68/96/90/1176689690.db2.gz GFBGNWLLXZXZOU-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001689189513 1176730936 /nfs/dbraw/zinc/73/09/36/1176730936.db2.gz PTCNIOMFGJLRCY-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001689189513 1176730941 /nfs/dbraw/zinc/73/09/41/1176730941.db2.gz PTCNIOMFGJLRCY-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001689420619 1176886117 /nfs/dbraw/zinc/88/61/17/1176886117.db2.gz AQUPKTMQANPWHI-ILXRZTDVSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001689420619 1176886128 /nfs/dbraw/zinc/88/61/28/1176886128.db2.gz AQUPKTMQANPWHI-ILXRZTDVSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001689890955 1177105144 /nfs/dbraw/zinc/10/51/44/1177105144.db2.gz KYAYNPNBWRWLOJ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001690159101 1177182821 /nfs/dbraw/zinc/18/28/21/1177182821.db2.gz UFHHQWKXXOYSOC-HZPDHXFCSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001690336959 1177217258 /nfs/dbraw/zinc/21/72/58/1177217258.db2.gz YDZYGURMYKIDIX-OWCLPIDISA-N 2 1 307.438 0.746 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001690482671 1177251821 /nfs/dbraw/zinc/25/18/21/1177251821.db2.gz URHNAESEZYHGNP-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001690785674 1177324858 /nfs/dbraw/zinc/32/48/58/1177324858.db2.gz XBCMHHNJTQDRPJ-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692046576 1177409265 /nfs/dbraw/zinc/40/92/65/1177409265.db2.gz WVHKXRAANMGLTO-INIZCTEOSA-N 2 1 309.454 0.944 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001692131580 1177422533 /nfs/dbraw/zinc/42/25/33/1177422533.db2.gz DWFVXPZFOPHUQZ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001692232814 1177453329 /nfs/dbraw/zinc/45/33/29/1177453329.db2.gz XIDBRHUYYHBHTA-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001692361734 1177495363 /nfs/dbraw/zinc/49/53/63/1177495363.db2.gz SLEVHYYEYWRCDA-PVAVHDDUSA-N 2 1 319.449 0.557 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001692361734 1177495369 /nfs/dbraw/zinc/49/53/69/1177495369.db2.gz SLEVHYYEYWRCDA-PVAVHDDUSA-N 2 1 319.449 0.557 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001698563631 1177557289 /nfs/dbraw/zinc/55/72/89/1177557289.db2.gz PXUHTZGEIDBJDN-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001698563631 1177557292 /nfs/dbraw/zinc/55/72/92/1177557292.db2.gz PXUHTZGEIDBJDN-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001698563631 1177557294 /nfs/dbraw/zinc/55/72/94/1177557294.db2.gz PXUHTZGEIDBJDN-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001698563631 1177557298 /nfs/dbraw/zinc/55/72/98/1177557298.db2.gz PXUHTZGEIDBJDN-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCCO1 ZINC001699270837 1178012840 /nfs/dbraw/zinc/01/28/40/1178012840.db2.gz KDPVLQXVHAYCLE-DSLCMKTCSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCCO1 ZINC001699270837 1178012849 /nfs/dbraw/zinc/01/28/49/1178012849.db2.gz KDPVLQXVHAYCLE-DSLCMKTCSA-N 2 1 319.449 0.915 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001699316718 1178060762 /nfs/dbraw/zinc/06/07/62/1178060762.db2.gz UWJYWFWCAGSZBA-SNSIWUOESA-N 2 1 319.449 0.915 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCCO)CC1 ZINC001699791228 1178287265 /nfs/dbraw/zinc/28/72/65/1178287265.db2.gz ZNDDHVDJXZKXST-UHFFFAOYSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001699878920 1178327738 /nfs/dbraw/zinc/32/77/38/1178327738.db2.gz DXPOZRXNMBSYQE-WMZOPIPTSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CCCC)C2)CC1 ZINC001699906578 1178360719 /nfs/dbraw/zinc/36/07/19/1178360719.db2.gz HERBTXCOKHKLSB-SFHVURJKSA-N 2 1 321.465 0.685 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001699968162 1178400526 /nfs/dbraw/zinc/40/05/26/1178400526.db2.gz DNPJWNGHVSVSPB-GOEBONIOSA-N 2 1 318.421 0.525 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001700001571 1178419978 /nfs/dbraw/zinc/41/99/78/1178419978.db2.gz BHGSECGDJWOOQM-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001700001571 1178419982 /nfs/dbraw/zinc/41/99/82/1178419982.db2.gz BHGSECGDJWOOQM-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001700001571 1178419985 /nfs/dbraw/zinc/41/99/85/1178419985.db2.gz BHGSECGDJWOOQM-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001700001571 1178419987 /nfs/dbraw/zinc/41/99/87/1178419987.db2.gz BHGSECGDJWOOQM-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001700016952 1178431193 /nfs/dbraw/zinc/43/11/93/1178431193.db2.gz LQEXHRVSZLFUAC-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001700016952 1178431196 /nfs/dbraw/zinc/43/11/96/1178431196.db2.gz LQEXHRVSZLFUAC-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001700016952 1178431211 /nfs/dbraw/zinc/43/12/11/1178431211.db2.gz LQEXHRVSZLFUAC-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCOCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001700089081 1178475141 /nfs/dbraw/zinc/47/51/41/1178475141.db2.gz TYVSMUJKXXYZES-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001700546238 1178653621 /nfs/dbraw/zinc/65/36/21/1178653621.db2.gz OSWVQCFONVQJQG-LSDHHAIUSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001700947247 1178823910 /nfs/dbraw/zinc/82/39/10/1178823910.db2.gz OOQVDIWQDIGHGR-LSDHHAIUSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001700947244 1178824270 /nfs/dbraw/zinc/82/42/70/1178824270.db2.gz OOQVDIWQDIGHGR-CABCVRRESA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CCOC ZINC001701002936 1178868292 /nfs/dbraw/zinc/86/82/92/1178868292.db2.gz QSEOEJOTLBHJDX-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CCOC ZINC001701002936 1178868305 /nfs/dbraw/zinc/86/83/05/1178868305.db2.gz QSEOEJOTLBHJDX-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CCOC ZINC001701002936 1178868315 /nfs/dbraw/zinc/86/83/15/1178868315.db2.gz QSEOEJOTLBHJDX-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)CCOC ZINC001701002936 1178868328 /nfs/dbraw/zinc/86/83/28/1178868328.db2.gz QSEOEJOTLBHJDX-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC#CCOC ZINC001707052784 1180403063 /nfs/dbraw/zinc/40/30/63/1180403063.db2.gz LMZMTEDJGGEDCS-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC#CCOC ZINC001707052784 1180403067 /nfs/dbraw/zinc/40/30/67/1180403067.db2.gz LMZMTEDJGGEDCS-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001707052784 1180403070 /nfs/dbraw/zinc/40/30/70/1180403070.db2.gz LMZMTEDJGGEDCS-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001707052784 1180403075 /nfs/dbraw/zinc/40/30/75/1180403075.db2.gz LMZMTEDJGGEDCS-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001707075626 1180410939 /nfs/dbraw/zinc/41/09/39/1180410939.db2.gz ICGVVKLGLABSKL-ZQDZILKHSA-N 2 1 322.453 0.113 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001707139766 1180423313 /nfs/dbraw/zinc/42/33/13/1180423313.db2.gz LOQZSSIWRRMWQC-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001713088531 1180678508 /nfs/dbraw/zinc/67/85/08/1180678508.db2.gz SDGRYQOSABLFLY-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001713088531 1180678510 /nfs/dbraw/zinc/67/85/10/1180678510.db2.gz SDGRYQOSABLFLY-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C[NH+](C)CCC)C2)C1=O ZINC001713088531 1180678511 /nfs/dbraw/zinc/67/85/11/1180678511.db2.gz SDGRYQOSABLFLY-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C[NH+](C)CCC)C2)C1=O ZINC001713088531 1180678514 /nfs/dbraw/zinc/67/85/14/1180678514.db2.gz SDGRYQOSABLFLY-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714445288 1181366616 /nfs/dbraw/zinc/36/66/16/1181366616.db2.gz GSQVTVRXJYEEBV-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714445288 1181366619 /nfs/dbraw/zinc/36/66/19/1181366619.db2.gz GSQVTVRXJYEEBV-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714542154 1181408491 /nfs/dbraw/zinc/40/84/91/1181408491.db2.gz QTDCGBVGLIVCGS-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714542154 1181408494 /nfs/dbraw/zinc/40/84/94/1181408494.db2.gz QTDCGBVGLIVCGS-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714542154 1181408496 /nfs/dbraw/zinc/40/84/96/1181408496.db2.gz QTDCGBVGLIVCGS-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001714870742 1181580267 /nfs/dbraw/zinc/58/02/67/1181580267.db2.gz YFRLUJPZHHOSJS-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001714870742 1181580273 /nfs/dbraw/zinc/58/02/73/1181580273.db2.gz YFRLUJPZHHOSJS-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001714870742 1181580278 /nfs/dbraw/zinc/58/02/78/1181580278.db2.gz YFRLUJPZHHOSJS-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001714870742 1181580285 /nfs/dbraw/zinc/58/02/85/1181580285.db2.gz YFRLUJPZHHOSJS-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001714900674 1181594263 /nfs/dbraw/zinc/59/42/63/1181594263.db2.gz DWPGGFBKMMVCMO-QGZVFWFLSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001714900674 1181594268 /nfs/dbraw/zinc/59/42/68/1181594268.db2.gz DWPGGFBKMMVCMO-QGZVFWFLSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CCO)C2)CC1 ZINC001714909917 1181597877 /nfs/dbraw/zinc/59/78/77/1181597877.db2.gz SNTBTUPJMWWJME-HNNXBMFYSA-N 2 1 307.438 0.104 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715001957 1181640276 /nfs/dbraw/zinc/64/02/76/1181640276.db2.gz ZGINHAFNCRQPST-IHRRRGAJSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715001957 1181640279 /nfs/dbraw/zinc/64/02/79/1181640279.db2.gz ZGINHAFNCRQPST-IHRRRGAJSA-N 2 1 310.442 0.208 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001715188572 1181711312 /nfs/dbraw/zinc/71/13/12/1181711312.db2.gz HBCWTCFKCYOLGC-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001715321326 1181771933 /nfs/dbraw/zinc/77/19/33/1181771933.db2.gz NDNRZSQBQPHETD-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001715609746 1181896018 /nfs/dbraw/zinc/89/60/18/1181896018.db2.gz UQNILIDBQJLJEF-QGZVFWFLSA-N 2 1 317.433 0.447 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001716495938 1182414471 /nfs/dbraw/zinc/41/44/71/1182414471.db2.gz LFCKXQJQPXLQMC-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001716495938 1182414474 /nfs/dbraw/zinc/41/44/74/1182414474.db2.gz LFCKXQJQPXLQMC-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716495938 1182414477 /nfs/dbraw/zinc/41/44/77/1182414477.db2.gz LFCKXQJQPXLQMC-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001716495938 1182414481 /nfs/dbraw/zinc/41/44/81/1182414481.db2.gz LFCKXQJQPXLQMC-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001716920099 1182575224 /nfs/dbraw/zinc/57/52/24/1182575224.db2.gz NYCUSIUNIHILHY-HOCLYGCPSA-N 2 1 313.417 0.243 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001717519309 1182879763 /nfs/dbraw/zinc/87/97/63/1182879763.db2.gz SYMCLNRLUQYEHI-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001725149143 1184696169 /nfs/dbraw/zinc/69/61/69/1184696169.db2.gz ZLGFUZDHHUGICJ-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001725149143 1184696172 /nfs/dbraw/zinc/69/61/72/1184696172.db2.gz ZLGFUZDHHUGICJ-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001725272083 1184746004 /nfs/dbraw/zinc/74/60/04/1184746004.db2.gz RIGJWOPPXLRWAF-GDBMZVCRSA-N 2 1 309.454 0.659 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001725288921 1184754005 /nfs/dbraw/zinc/75/40/05/1184754005.db2.gz KIQVSDDCAOODLF-HNNXBMFYSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001725288921 1184754009 /nfs/dbraw/zinc/75/40/09/1184754009.db2.gz KIQVSDDCAOODLF-HNNXBMFYSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001725715357 1184964912 /nfs/dbraw/zinc/96/49/12/1184964912.db2.gz FPFQIQDIKQRNHS-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725715357 1184964919 /nfs/dbraw/zinc/96/49/19/1184964919.db2.gz FPFQIQDIKQRNHS-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725715357 1184964925 /nfs/dbraw/zinc/96/49/25/1184964925.db2.gz FPFQIQDIKQRNHS-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001731784100 1185485240 /nfs/dbraw/zinc/48/52/40/1185485240.db2.gz UYGRMNYNAZSQKK-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001731784100 1185485246 /nfs/dbraw/zinc/48/52/46/1185485246.db2.gz UYGRMNYNAZSQKK-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001731911342 1185567596 /nfs/dbraw/zinc/56/75/96/1185567596.db2.gz OGGXXRGPLTXVPF-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CCOC ZINC001732374465 1185784416 /nfs/dbraw/zinc/78/44/16/1185784416.db2.gz WMZDSKXODVWAMR-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[NH2+]CCN(CC)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001732775570 1185962275 /nfs/dbraw/zinc/96/22/75/1185962275.db2.gz CADFDHXDQXTOOF-OAHLLOKOSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CC[NH2+]CCN(CC)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001732775570 1185962278 /nfs/dbraw/zinc/96/22/78/1185962278.db2.gz CADFDHXDQXTOOF-OAHLLOKOSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001733362776 1186240414 /nfs/dbraw/zinc/24/04/14/1186240414.db2.gz WHGIODYZWLUFLZ-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001733367301 1186241965 /nfs/dbraw/zinc/24/19/65/1186241965.db2.gz YCYQMCUREVUJFJ-HOCLYGCPSA-N 2 1 307.438 0.388 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001733481156 1186288951 /nfs/dbraw/zinc/28/89/51/1186288951.db2.gz ZPOHJYILAXYGGS-NVXWUHKLSA-N 2 1 307.438 0.457 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001733491999 1186300928 /nfs/dbraw/zinc/30/09/28/1186300928.db2.gz JMOUICDPTZGZEE-KRWDZBQOSA-N 2 1 307.438 0.439 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001733582041 1186341604 /nfs/dbraw/zinc/34/16/04/1186341604.db2.gz XXJSVHFULWAFCJ-HRCADAONSA-N 2 1 307.438 0.531 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001733582041 1186341609 /nfs/dbraw/zinc/34/16/09/1186341609.db2.gz XXJSVHFULWAFCJ-HRCADAONSA-N 2 1 307.438 0.531 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001733582041 1186341616 /nfs/dbraw/zinc/34/16/16/1186341616.db2.gz XXJSVHFULWAFCJ-HRCADAONSA-N 2 1 307.438 0.531 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001733692232 1186400285 /nfs/dbraw/zinc/40/02/85/1186400285.db2.gz YPBZBMLHVKSLIJ-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001733692232 1186400290 /nfs/dbraw/zinc/40/02/90/1186400290.db2.gz YPBZBMLHVKSLIJ-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001733867452 1186481558 /nfs/dbraw/zinc/48/15/58/1186481558.db2.gz KUUXVMZGHXMZFR-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001733900122 1186492582 /nfs/dbraw/zinc/49/25/82/1186492582.db2.gz JVRSUBBUIXCQAA-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001733900122 1186492584 /nfs/dbraw/zinc/49/25/84/1186492584.db2.gz JVRSUBBUIXCQAA-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001733900122 1186492586 /nfs/dbraw/zinc/49/25/86/1186492586.db2.gz JVRSUBBUIXCQAA-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001733900122 1186492587 /nfs/dbraw/zinc/49/25/87/1186492587.db2.gz JVRSUBBUIXCQAA-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001734423531 1186649299 /nfs/dbraw/zinc/64/92/99/1186649299.db2.gz ZBIKKGXGNRWMGU-UKRRQHHQSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001752343971 1188415262 /nfs/dbraw/zinc/41/52/62/1188415262.db2.gz LHUBFFJRFSZTMC-UHFFFAOYSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001752357289 1188417216 /nfs/dbraw/zinc/41/72/16/1188417216.db2.gz RFMPHAPZGUZXFE-UHFFFAOYSA-N 2 1 308.470 0.474 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001752357289 1188417219 /nfs/dbraw/zinc/41/72/19/1188417219.db2.gz RFMPHAPZGUZXFE-UHFFFAOYSA-N 2 1 308.470 0.474 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001752357289 1188417220 /nfs/dbraw/zinc/41/72/20/1188417220.db2.gz RFMPHAPZGUZXFE-UHFFFAOYSA-N 2 1 308.470 0.474 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752841329 1188448902 /nfs/dbraw/zinc/44/89/02/1188448902.db2.gz PGMARQLYLMVUPB-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752841329 1188448897 /nfs/dbraw/zinc/44/88/97/1188448897.db2.gz PGMARQLYLMVUPB-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001752872176 1188452783 /nfs/dbraw/zinc/45/27/83/1188452783.db2.gz AZFWNOWIFUZXDM-KBPBESRZSA-N 2 1 310.442 0.256 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001752959328 1188468205 /nfs/dbraw/zinc/46/82/05/1188468205.db2.gz QICYVHAZLFIDCC-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001753110442 1188502623 /nfs/dbraw/zinc/50/26/23/1188502623.db2.gz NHGLEWHZDCCHEM-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001753110442 1188502629 /nfs/dbraw/zinc/50/26/29/1188502629.db2.gz NHGLEWHZDCCHEM-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001753922696 1188683455 /nfs/dbraw/zinc/68/34/55/1188683455.db2.gz UKCNSWBEYXCAQI-MRXNPFEDSA-N 2 1 309.454 0.731 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOCC=C ZINC001754611781 1188890388 /nfs/dbraw/zinc/89/03/88/1188890388.db2.gz RZODSAYZNXLXKZ-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOCC=C ZINC001754611781 1188890394 /nfs/dbraw/zinc/89/03/94/1188890394.db2.gz RZODSAYZNXLXKZ-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCOC)C1 ZINC001754697128 1188908084 /nfs/dbraw/zinc/90/80/84/1188908084.db2.gz LDCGMVOQACRIDE-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCOC)C1 ZINC001754697128 1188908085 /nfs/dbraw/zinc/90/80/85/1188908085.db2.gz LDCGMVOQACRIDE-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001755038077 1189003836 /nfs/dbraw/zinc/00/38/36/1189003836.db2.gz MAUKWWZBSAGXMM-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001755721576 1189193770 /nfs/dbraw/zinc/19/37/70/1189193770.db2.gz LFINHSHBDZFCKN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001755721576 1189193771 /nfs/dbraw/zinc/19/37/71/1189193771.db2.gz LFINHSHBDZFCKN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001755754188 1189202085 /nfs/dbraw/zinc/20/20/85/1189202085.db2.gz SRSAYCKRLAVYFG-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001755779400 1189209233 /nfs/dbraw/zinc/20/92/33/1189209233.db2.gz JNFJUHSJGUCAGT-GJZGRUSLSA-N 2 1 320.437 0.829 20 30 DCEDMP N#Cc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)o1 ZINC001771866831 1190534320 /nfs/dbraw/zinc/53/43/20/1190534320.db2.gz AEEJSUJRKIAROV-UHFFFAOYSA-N 2 1 300.366 0.757 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553950 751457916 /nfs/dbraw/zinc/45/79/16/751457916.db2.gz WFCBXBKFVTXJOP-ARFHVFGLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553950 751457918 /nfs/dbraw/zinc/45/79/18/751457918.db2.gz WFCBXBKFVTXJOP-ARFHVFGLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553950 751457920 /nfs/dbraw/zinc/45/79/20/751457920.db2.gz WFCBXBKFVTXJOP-ARFHVFGLSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561662 747346026 /nfs/dbraw/zinc/34/60/26/747346026.db2.gz LKHVHZHMIMLCCO-UHFFFAOYSA-N 2 1 307.438 0.391 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284209 747859327 /nfs/dbraw/zinc/85/93/27/747859327.db2.gz WYQJUKJTCJAQLW-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)[NH+](C)C)C2)nn1 ZINC001105268194 748093936 /nfs/dbraw/zinc/09/39/36/748093936.db2.gz DKXFOLNUTKVADC-OAHLLOKOSA-N 2 1 320.441 0.667 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327069 748137097 /nfs/dbraw/zinc/13/70/97/748137097.db2.gz RFMASRTXUSAENM-CYBMUJFWSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327069 748137102 /nfs/dbraw/zinc/13/71/02/748137102.db2.gz RFMASRTXUSAENM-CYBMUJFWSA-N 2 1 318.425 0.421 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001087997850 749184616 /nfs/dbraw/zinc/18/46/16/749184616.db2.gz CDTFWEOJKJHTFV-IKGGRYGDSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001087997850 749184622 /nfs/dbraw/zinc/18/46/22/749184622.db2.gz CDTFWEOJKJHTFV-IKGGRYGDSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001087997850 749184627 /nfs/dbraw/zinc/18/46/27/749184627.db2.gz CDTFWEOJKJHTFV-IKGGRYGDSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001087997850 749184631 /nfs/dbraw/zinc/18/46/31/749184631.db2.gz CDTFWEOJKJHTFV-IKGGRYGDSA-N 2 1 319.449 0.247 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088141065 749253266 /nfs/dbraw/zinc/25/32/66/749253266.db2.gz UGNFGBQEIPOJLV-SJORKVTESA-N 2 1 319.449 0.512 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088141065 749253270 /nfs/dbraw/zinc/25/32/70/749253270.db2.gz UGNFGBQEIPOJLV-SJORKVTESA-N 2 1 319.449 0.512 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645587 749790873 /nfs/dbraw/zinc/79/08/73/749790873.db2.gz QWKFOVVIHYFNCC-GJZGRUSLSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645587 749790880 /nfs/dbraw/zinc/79/08/80/749790880.db2.gz QWKFOVVIHYFNCC-GJZGRUSLSA-N 2 1 318.425 0.421 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077280550 750313313 /nfs/dbraw/zinc/31/33/13/750313313.db2.gz CRRMPRLOIKHQIW-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280550 750313319 /nfs/dbraw/zinc/31/33/19/750313319.db2.gz CRRMPRLOIKHQIW-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280550 750313327 /nfs/dbraw/zinc/31/33/27/750313327.db2.gz CRRMPRLOIKHQIW-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280550 750313333 /nfs/dbraw/zinc/31/33/33/750313333.db2.gz CRRMPRLOIKHQIW-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105946452 750595453 /nfs/dbraw/zinc/59/54/53/750595453.db2.gz UJTMFONMEMVSND-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106578084 751194922 /nfs/dbraw/zinc/19/49/22/751194922.db2.gz ZQCILAOUGCPLPH-OAGGEKHMSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106578084 751194923 /nfs/dbraw/zinc/19/49/23/751194923.db2.gz ZQCILAOUGCPLPH-OAGGEKHMSA-N 2 1 307.438 0.413 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350658 751273645 /nfs/dbraw/zinc/27/36/45/751273645.db2.gz IHOJOZVOLFHYGJ-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350658 751273652 /nfs/dbraw/zinc/27/36/52/751273652.db2.gz IHOJOZVOLFHYGJ-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089350658 751273657 /nfs/dbraw/zinc/27/36/57/751273657.db2.gz IHOJOZVOLFHYGJ-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089350658 751273664 /nfs/dbraw/zinc/27/36/64/751273664.db2.gz IHOJOZVOLFHYGJ-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840619 751307600 /nfs/dbraw/zinc/30/76/00/751307600.db2.gz XKRBGJMKLBCZOF-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]C(C)C)C1 ZINC001078413015 753231109 /nfs/dbraw/zinc/23/11/09/753231109.db2.gz MTXGOTJLIJQWRD-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]C(C)C)C1 ZINC001078413015 753231117 /nfs/dbraw/zinc/23/11/17/753231117.db2.gz MTXGOTJLIJQWRD-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001046035068 753437613 /nfs/dbraw/zinc/43/76/13/753437613.db2.gz CTDVKZQQMPWAJI-INIZCTEOSA-N 2 1 317.437 0.747 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001046035093 753437690 /nfs/dbraw/zinc/43/76/90/753437690.db2.gz DIYHODFSCHJDFX-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035093 753437694 /nfs/dbraw/zinc/43/76/94/753437694.db2.gz DIYHODFSCHJDFX-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046697030 753881731 /nfs/dbraw/zinc/88/17/31/753881731.db2.gz ZQHUUELSBMZCGO-KRWDZBQOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831449 753956867 /nfs/dbraw/zinc/95/68/67/753956867.db2.gz MKBIYGKWLIAAEM-XHSDSOJGSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831449 753956872 /nfs/dbraw/zinc/95/68/72/753956872.db2.gz MKBIYGKWLIAAEM-XHSDSOJGSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001046850023 753979232 /nfs/dbraw/zinc/97/92/32/753979232.db2.gz NQIZIRGUSAXGCI-YJBOKZPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001047386022 754234708 /nfs/dbraw/zinc/23/47/08/754234708.db2.gz JULHMYXSPUQYMS-FZKCQIBNSA-N 2 1 307.438 0.244 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001047386022 754234713 /nfs/dbraw/zinc/23/47/13/754234713.db2.gz JULHMYXSPUQYMS-FZKCQIBNSA-N 2 1 307.438 0.244 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386022 754234718 /nfs/dbraw/zinc/23/47/18/754234718.db2.gz JULHMYXSPUQYMS-FZKCQIBNSA-N 2 1 307.438 0.244 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386022 754234722 /nfs/dbraw/zinc/23/47/22/754234722.db2.gz JULHMYXSPUQYMS-FZKCQIBNSA-N 2 1 307.438 0.244 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220225 754570542 /nfs/dbraw/zinc/57/05/42/754570542.db2.gz SDWOJLSYRHOJAH-KGLIPLIRSA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220225 754570544 /nfs/dbraw/zinc/57/05/44/754570544.db2.gz SDWOJLSYRHOJAH-KGLIPLIRSA-N 2 1 318.425 0.147 20 30 DCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860443 754984251 /nfs/dbraw/zinc/98/42/51/754984251.db2.gz USCDWPFYABNLHW-ZACQAIPSSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860443 754984252 /nfs/dbraw/zinc/98/42/52/754984252.db2.gz USCDWPFYABNLHW-ZACQAIPSSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860443 754984253 /nfs/dbraw/zinc/98/42/53/754984253.db2.gz USCDWPFYABNLHW-ZACQAIPSSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)nc4C3)C[C@H]2C1 ZINC001048904494 755008521 /nfs/dbraw/zinc/00/85/21/755008521.db2.gz UFMIFEUAUCIGRI-SOUVJXGZSA-N 2 1 312.417 0.846 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005564 755069845 /nfs/dbraw/zinc/06/98/45/755069845.db2.gz BGNCNOBCCVTEAZ-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005564 755069850 /nfs/dbraw/zinc/06/98/50/755069850.db2.gz BGNCNOBCCVTEAZ-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005564 755069855 /nfs/dbraw/zinc/06/98/55/755069855.db2.gz BGNCNOBCCVTEAZ-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049005564 755069857 /nfs/dbraw/zinc/06/98/57/755069857.db2.gz BGNCNOBCCVTEAZ-IXDOHACOSA-N 2 1 319.449 0.509 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC001049109427 755120716 /nfs/dbraw/zinc/12/07/16/755120716.db2.gz QHMJBNKZLQXAMQ-IYBDPMFKSA-N 2 1 317.437 0.635 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391474 755247579 /nfs/dbraw/zinc/24/75/79/755247579.db2.gz LSTWLAKMLLXAMA-BZUAXINKSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049548717 755311052 /nfs/dbraw/zinc/31/10/52/755311052.db2.gz LUCIIVXEGBJVOU-FXUDXRNXSA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049548717 755311057 /nfs/dbraw/zinc/31/10/57/755311057.db2.gz LUCIIVXEGBJVOU-FXUDXRNXSA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049548717 755311062 /nfs/dbraw/zinc/31/10/62/755311062.db2.gz LUCIIVXEGBJVOU-FXUDXRNXSA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049548717 755311066 /nfs/dbraw/zinc/31/10/66/755311066.db2.gz LUCIIVXEGBJVOU-FXUDXRNXSA-N 2 1 305.422 0.404 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049790959 755400551 /nfs/dbraw/zinc/40/05/51/755400551.db2.gz OWIXQDXKMWGDMC-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049790959 755400552 /nfs/dbraw/zinc/40/05/52/755400552.db2.gz OWIXQDXKMWGDMC-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097563580 755680376 /nfs/dbraw/zinc/68/03/76/755680376.db2.gz ACQADXUFEWAZNQ-UAEIHBMGSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097563580 755680377 /nfs/dbraw/zinc/68/03/77/755680377.db2.gz ACQADXUFEWAZNQ-UAEIHBMGSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001097563580 755680378 /nfs/dbraw/zinc/68/03/78/755680378.db2.gz ACQADXUFEWAZNQ-UAEIHBMGSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001097563580 755680379 /nfs/dbraw/zinc/68/03/79/755680379.db2.gz ACQADXUFEWAZNQ-UAEIHBMGSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCO)CC2)CC1 ZINC001052952401 755883766 /nfs/dbraw/zinc/88/37/66/755883766.db2.gz DEZQMHUQXXWADM-QGZVFWFLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](C(C)C)C3)C2)CC1 ZINC001054015707 756334046 /nfs/dbraw/zinc/33/40/46/756334046.db2.gz NIHKNVNIBWEYCU-INIZCTEOSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001054910616 756672880 /nfs/dbraw/zinc/67/28/80/756672880.db2.gz DEQGGIRCBRSHDO-ZFWWWQNUSA-N 2 1 300.406 0.832 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001082271700 756991295 /nfs/dbraw/zinc/99/12/95/756991295.db2.gz OHBQJOHETOXZGS-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001082271700 756991301 /nfs/dbraw/zinc/99/13/01/756991301.db2.gz OHBQJOHETOXZGS-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251661 757737410 /nfs/dbraw/zinc/73/74/10/757737410.db2.gz VUUDOTIBDCAFMN-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251661 757737421 /nfs/dbraw/zinc/73/74/21/757737421.db2.gz VUUDOTIBDCAFMN-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251661 757737432 /nfs/dbraw/zinc/73/74/32/757737432.db2.gz VUUDOTIBDCAFMN-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251661 757737444 /nfs/dbraw/zinc/73/74/44/757737444.db2.gz VUUDOTIBDCAFMN-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072577999 762583879 /nfs/dbraw/zinc/58/38/79/762583879.db2.gz FXNJZJLZAMXXAT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072577999 762583887 /nfs/dbraw/zinc/58/38/87/762583887.db2.gz FXNJZJLZAMXXAT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577999 762583896 /nfs/dbraw/zinc/58/38/96/762583896.db2.gz FXNJZJLZAMXXAT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577999 762583901 /nfs/dbraw/zinc/58/39/01/762583901.db2.gz FXNJZJLZAMXXAT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085098271 758210140 /nfs/dbraw/zinc/21/01/40/758210140.db2.gz JCWBSKHMXJBZOV-PMPSAXMXSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085098271 758210148 /nfs/dbraw/zinc/21/01/48/758210148.db2.gz JCWBSKHMXJBZOV-PMPSAXMXSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085098271 758210156 /nfs/dbraw/zinc/21/01/56/758210156.db2.gz JCWBSKHMXJBZOV-PMPSAXMXSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085098271 758210164 /nfs/dbraw/zinc/21/01/64/758210164.db2.gz JCWBSKHMXJBZOV-PMPSAXMXSA-N 2 1 305.422 0.263 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052029831 759129112 /nfs/dbraw/zinc/12/91/12/759129112.db2.gz CFDUSBBDQMXCDR-IXDOHACOSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052029831 759129117 /nfs/dbraw/zinc/12/91/17/759129117.db2.gz CFDUSBBDQMXCDR-IXDOHACOSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052029831 759129120 /nfs/dbraw/zinc/12/91/20/759129120.db2.gz CFDUSBBDQMXCDR-IXDOHACOSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052029831 759129126 /nfs/dbraw/zinc/12/91/26/759129126.db2.gz CFDUSBBDQMXCDR-IXDOHACOSA-N 2 1 320.481 0.731 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108263 759184301 /nfs/dbraw/zinc/18/43/01/759184301.db2.gz LQFSFKIDBJUTKL-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108263 759184303 /nfs/dbraw/zinc/18/43/03/759184303.db2.gz LQFSFKIDBJUTKL-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117601 759191142 /nfs/dbraw/zinc/19/11/42/759191142.db2.gz VAFIZHNFYVZKCC-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731617 759246241 /nfs/dbraw/zinc/24/62/41/759246241.db2.gz GKDUZQIKPKQICB-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731617 759246246 /nfs/dbraw/zinc/24/62/46/759246246.db2.gz GKDUZQIKPKQICB-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731617 759246251 /nfs/dbraw/zinc/24/62/51/759246251.db2.gz GKDUZQIKPKQICB-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731615 759246549 /nfs/dbraw/zinc/24/65/49/759246549.db2.gz GKDUZQIKPKQICB-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731615 759246556 /nfs/dbraw/zinc/24/65/56/759246556.db2.gz GKDUZQIKPKQICB-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731615 759246563 /nfs/dbraw/zinc/24/65/63/759246563.db2.gz GKDUZQIKPKQICB-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCOC)CC1 ZINC001085984381 759549078 /nfs/dbraw/zinc/54/90/78/759549078.db2.gz BJOJKWQUHMJZJQ-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001098408158 759723993 /nfs/dbraw/zinc/72/39/93/759723993.db2.gz GTKJGJVVTINMAN-INIZCTEOSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098408158 759723999 /nfs/dbraw/zinc/72/39/99/759723999.db2.gz GTKJGJVVTINMAN-INIZCTEOSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098408158 759724007 /nfs/dbraw/zinc/72/40/07/759724007.db2.gz GTKJGJVVTINMAN-INIZCTEOSA-N 2 1 309.454 0.942 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125070 760445779 /nfs/dbraw/zinc/44/57/79/760445779.db2.gz RJBKBPQZYQUDJC-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292805 767960317 /nfs/dbraw/zinc/96/03/17/767960317.db2.gz UPCMOJMWTSGXHE-CVEARBPZSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292805 767960320 /nfs/dbraw/zinc/96/03/20/767960320.db2.gz UPCMOJMWTSGXHE-CVEARBPZSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001148292805 767960325 /nfs/dbraw/zinc/96/03/25/767960325.db2.gz UPCMOJMWTSGXHE-CVEARBPZSA-N 2 1 319.449 0.368 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097379 761083860 /nfs/dbraw/zinc/08/38/60/761083860.db2.gz OUXGQOCXIBKZGK-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097379 761083865 /nfs/dbraw/zinc/08/38/65/761083865.db2.gz OUXGQOCXIBKZGK-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097379 761083876 /nfs/dbraw/zinc/08/38/76/761083876.db2.gz OUXGQOCXIBKZGK-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097379 761083884 /nfs/dbraw/zinc/08/38/84/761083884.db2.gz OUXGQOCXIBKZGK-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605702 768017911 /nfs/dbraw/zinc/01/79/11/768017911.db2.gz SEJWLASZBSQJHL-UHFFFAOYSA-N 2 1 315.845 0.851 20 30 DCEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605702 768017916 /nfs/dbraw/zinc/01/79/16/768017916.db2.gz SEJWLASZBSQJHL-UHFFFAOYSA-N 2 1 315.845 0.851 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748583 768035646 /nfs/dbraw/zinc/03/56/46/768035646.db2.gz VFRGRIAWZDRVBY-HNNXBMFYSA-N 2 1 307.438 0.675 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748583 768035649 /nfs/dbraw/zinc/03/56/49/768035649.db2.gz VFRGRIAWZDRVBY-HNNXBMFYSA-N 2 1 307.438 0.675 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748583 768035652 /nfs/dbraw/zinc/03/56/52/768035652.db2.gz VFRGRIAWZDRVBY-HNNXBMFYSA-N 2 1 307.438 0.675 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001098993708 762775163 /nfs/dbraw/zinc/77/51/63/762775163.db2.gz LKYMUNJNPMFVED-JZXOWHBKSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001098993708 762775169 /nfs/dbraw/zinc/77/51/69/762775169.db2.gz LKYMUNJNPMFVED-JZXOWHBKSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098993708 762775177 /nfs/dbraw/zinc/77/51/77/762775177.db2.gz LKYMUNJNPMFVED-JZXOWHBKSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098993708 762775180 /nfs/dbraw/zinc/77/51/80/762775180.db2.gz LKYMUNJNPMFVED-JZXOWHBKSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CCC ZINC001129790617 763005095 /nfs/dbraw/zinc/00/50/95/763005095.db2.gz DQIXWRFCFQTCRV-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CCC ZINC001129790617 763005101 /nfs/dbraw/zinc/00/51/01/763005101.db2.gz DQIXWRFCFQTCRV-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001129770571 763006714 /nfs/dbraw/zinc/00/67/14/763006714.db2.gz IZXDJCISNPFLDU-AWEZNQCLSA-N 2 1 323.828 0.340 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001129770571 763006721 /nfs/dbraw/zinc/00/67/21/763006721.db2.gz IZXDJCISNPFLDU-AWEZNQCLSA-N 2 1 323.828 0.340 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](O)C1 ZINC001099898672 763108601 /nfs/dbraw/zinc/10/86/01/763108601.db2.gz FXZACIHZQSYMGX-JKSUJKDBSA-N 2 1 316.405 0.093 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](O)C1 ZINC001099898672 763108605 /nfs/dbraw/zinc/10/86/05/763108605.db2.gz FXZACIHZQSYMGX-JKSUJKDBSA-N 2 1 316.405 0.093 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141290 763347425 /nfs/dbraw/zinc/34/74/25/763347425.db2.gz PACVMTAPTWNQQU-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141290 763347435 /nfs/dbraw/zinc/34/74/35/763347435.db2.gz PACVMTAPTWNQQU-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001100344772 763508409 /nfs/dbraw/zinc/50/84/09/763508409.db2.gz FIUPBIKBJKOLNZ-SJJHQCBESA-N 2 1 321.465 0.851 20 30 DCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001131597115 763883427 /nfs/dbraw/zinc/88/34/27/763883427.db2.gz MHVMWBBKYRBNRA-AEFFLSMTSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC#CCOC)C[C@@]2(C)C1)[NH+](C)C ZINC001101277503 764035429 /nfs/dbraw/zinc/03/54/29/764035429.db2.gz KNEDYEHJFZOXQJ-NUJGCVRESA-N 2 1 321.465 0.757 20 30 DCEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001101525153 764133383 /nfs/dbraw/zinc/13/33/83/764133383.db2.gz HFPSVTQDXKSPGG-INIZCTEOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001101525153 764133388 /nfs/dbraw/zinc/13/33/88/764133388.db2.gz HFPSVTQDXKSPGG-INIZCTEOSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893320 764713149 /nfs/dbraw/zinc/71/31/49/764713149.db2.gz NKPTWZLGYZUYDW-IHRRRGAJSA-N 2 1 310.442 0.113 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133165015 764853464 /nfs/dbraw/zinc/85/34/64/764853464.db2.gz ALRALUWKLLCAQG-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138716 764958098 /nfs/dbraw/zinc/95/80/98/764958098.db2.gz ZHJMUOBSPXWOHK-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138716 764958105 /nfs/dbraw/zinc/95/81/05/764958105.db2.gz ZHJMUOBSPXWOHK-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103138716 764958113 /nfs/dbraw/zinc/95/81/13/764958113.db2.gz ZHJMUOBSPXWOHK-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103138716 764958119 /nfs/dbraw/zinc/95/81/19/764958119.db2.gz ZHJMUOBSPXWOHK-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133867857 765193946 /nfs/dbraw/zinc/19/39/46/765193946.db2.gz XVYRJJRAGHCRNO-GXSJLCMTSA-N 2 1 304.232 0.799 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133867859 765194149 /nfs/dbraw/zinc/19/41/49/765194149.db2.gz XVYRJJRAGHCRNO-MWLCHTKSSA-N 2 1 304.232 0.799 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033699 765243791 /nfs/dbraw/zinc/24/37/91/765243791.db2.gz DBCGXLUKFBJGMH-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033699 765243793 /nfs/dbraw/zinc/24/37/93/765243793.db2.gz DBCGXLUKFBJGMH-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090573814 766328487 /nfs/dbraw/zinc/32/84/87/766328487.db2.gz PAXVDLYMMLRNLX-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090573814 766328496 /nfs/dbraw/zinc/32/84/96/766328496.db2.gz PAXVDLYMMLRNLX-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090573814 766328504 /nfs/dbraw/zinc/32/85/04/766328504.db2.gz PAXVDLYMMLRNLX-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090673622 766457626 /nfs/dbraw/zinc/45/76/26/766457626.db2.gz LQJMFNGSQPMONF-JKSUJKDBSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147211848 767674593 /nfs/dbraw/zinc/67/45/93/767674593.db2.gz HTXLUECKVAJJNZ-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147211848 767674599 /nfs/dbraw/zinc/67/45/99/767674599.db2.gz HTXLUECKVAJJNZ-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147211848 767674601 /nfs/dbraw/zinc/67/46/01/767674601.db2.gz HTXLUECKVAJJNZ-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149982261 768919162 /nfs/dbraw/zinc/91/91/62/768919162.db2.gz GPDVHHCOGWBJLK-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149982261 768919168 /nfs/dbraw/zinc/91/91/68/768919168.db2.gz GPDVHHCOGWBJLK-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094816616 769295158 /nfs/dbraw/zinc/29/51/58/769295158.db2.gz DTOQHJJEGMPRMX-AWEZNQCLSA-N 2 1 320.437 0.060 20 30 DCEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001177271229 770400394 /nfs/dbraw/zinc/40/03/94/770400394.db2.gz ZTADICPCPALMLQ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001177271229 770400398 /nfs/dbraw/zinc/40/03/98/770400398.db2.gz ZTADICPCPALMLQ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001178693215 770837603 /nfs/dbraw/zinc/83/76/03/770837603.db2.gz LFUHDSJVRSVPBM-INIZCTEOSA-N 2 1 319.453 0.713 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)C[N@H+](C)CCC ZINC001180123505 771064912 /nfs/dbraw/zinc/06/49/12/771064912.db2.gz GAYBMEQSAMWMRN-UHFFFAOYSA-N 2 1 324.469 0.344 20 30 DCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249489 771628707 /nfs/dbraw/zinc/62/87/07/771628707.db2.gz KKINRIRQPCQGMB-CVEARBPZSA-N 2 1 319.453 0.970 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183465405 771652672 /nfs/dbraw/zinc/65/26/72/771652672.db2.gz PNOSHTNYUGZKHE-JFIYKMOQSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183465405 771652678 /nfs/dbraw/zinc/65/26/78/771652678.db2.gz PNOSHTNYUGZKHE-JFIYKMOQSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157899043 771689240 /nfs/dbraw/zinc/68/92/40/771689240.db2.gz IAIOEWZIKMOZNN-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185293643 771901109 /nfs/dbraw/zinc/90/11/09/771901109.db2.gz IWLSHNLVGYZXQW-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185294760 771901148 /nfs/dbraw/zinc/90/11/48/771901148.db2.gz SLMUWPMMNLCRIN-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N[C@H](C)CC ZINC001160197641 772007326 /nfs/dbraw/zinc/00/73/26/772007326.db2.gz BNMOAQICWDSLPY-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N[C@H](C)CC ZINC001160197641 772007330 /nfs/dbraw/zinc/00/73/30/772007330.db2.gz BNMOAQICWDSLPY-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160267710 772015501 /nfs/dbraw/zinc/01/55/01/772015501.db2.gz QMIBXJGKDHYOPT-AWEZNQCLSA-N 2 1 310.442 0.259 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC12CCOCC2 ZINC001186545570 772059466 /nfs/dbraw/zinc/05/94/66/772059466.db2.gz NCIGLFDWMAOZBM-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162604120 772396129 /nfs/dbraw/zinc/39/61/29/772396129.db2.gz HVEBVUUXGMQVLZ-HNNXBMFYSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001203708673 772526778 /nfs/dbraw/zinc/52/67/78/772526778.db2.gz CQJJDVAFWQRQLT-UHFFFAOYSA-N 2 1 319.409 0.074 20 30 DCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644982 772656838 /nfs/dbraw/zinc/65/68/38/772656838.db2.gz PEXVSWLSBNSAHD-CVEARBPZSA-N 2 1 317.437 0.369 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644982 772656843 /nfs/dbraw/zinc/65/68/43/772656843.db2.gz PEXVSWLSBNSAHD-CVEARBPZSA-N 2 1 317.437 0.369 20 30 DCEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190645630 772656868 /nfs/dbraw/zinc/65/68/68/772656868.db2.gz UMKQWQDABINGNR-JKSUJKDBSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190645630 772656869 /nfs/dbraw/zinc/65/68/69/772656869.db2.gz UMKQWQDABINGNR-JKSUJKDBSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164574219 772682665 /nfs/dbraw/zinc/68/26/65/772682665.db2.gz BTCGGJHWBNKZPW-KBPBESRZSA-N 2 1 310.442 0.115 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001166677120 772838292 /nfs/dbraw/zinc/83/82/92/772838292.db2.gz FVXYCLKVEVXFLX-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191966684 772853810 /nfs/dbraw/zinc/85/38/10/772853810.db2.gz AIHADDOKRZJILX-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948010 772977231 /nfs/dbraw/zinc/97/72/31/772977231.db2.gz NKXZPSWROHKCJD-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192958024 772979229 /nfs/dbraw/zinc/97/92/29/772979229.db2.gz DHQJAXKWUNLETP-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192958024 772979232 /nfs/dbraw/zinc/97/92/32/772979232.db2.gz DHQJAXKWUNLETP-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207539042 773226694 /nfs/dbraw/zinc/22/66/94/773226694.db2.gz XZBCWROWTAJMSI-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207539042 773226701 /nfs/dbraw/zinc/22/67/01/773226701.db2.gz XZBCWROWTAJMSI-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208424014 773457417 /nfs/dbraw/zinc/45/74/17/773457417.db2.gz SLGIOUYAZAVOFR-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208424015 773457795 /nfs/dbraw/zinc/45/77/95/773457795.db2.gz SLGIOUYAZAVOFR-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208569114 773498898 /nfs/dbraw/zinc/49/88/98/773498898.db2.gz QHCHYOGEOKWSDO-AWEZNQCLSA-N 2 1 319.409 0.074 20 30 DCEDMP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+](CC#CCOC)CC1 ZINC001196341438 773580581 /nfs/dbraw/zinc/58/05/81/773580581.db2.gz OYMPFQPMNUDHQY-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+](CC#CCOC)CC1 ZINC001196341438 773580586 /nfs/dbraw/zinc/58/05/86/773580586.db2.gz OYMPFQPMNUDHQY-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](CC#CCOC)CC1 ZINC001196341438 773580591 /nfs/dbraw/zinc/58/05/91/773580591.db2.gz OYMPFQPMNUDHQY-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](CC#CCOC)CC1 ZINC001196341438 773580596 /nfs/dbraw/zinc/58/05/96/773580596.db2.gz OYMPFQPMNUDHQY-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197017766 773677315 /nfs/dbraw/zinc/67/73/15/773677315.db2.gz HTURHDBQORBWIG-OAGGEKHMSA-N 2 1 309.454 0.537 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cscn2)CC1 ZINC001152330502 773730338 /nfs/dbraw/zinc/73/03/38/773730338.db2.gz QHSHCHCQFXLMLK-UHFFFAOYSA-N 2 1 306.435 0.694 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046112 773762896 /nfs/dbraw/zinc/76/28/96/773762896.db2.gz JHRQLGDAGDDSMR-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CCN1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001197817665 773812034 /nfs/dbraw/zinc/81/20/34/773812034.db2.gz OWVRCLKAECFWMK-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001197817665 773812043 /nfs/dbraw/zinc/81/20/43/773812043.db2.gz OWVRCLKAECFWMK-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001197817665 773812051 /nfs/dbraw/zinc/81/20/51/773812051.db2.gz OWVRCLKAECFWMK-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001197817665 773812059 /nfs/dbraw/zinc/81/20/59/773812059.db2.gz OWVRCLKAECFWMK-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001197817665 773812063 /nfs/dbraw/zinc/81/20/63/773812063.db2.gz OWVRCLKAECFWMK-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446675 773848442 /nfs/dbraw/zinc/84/84/42/773848442.db2.gz REALOCPELMMKID-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446675 773848447 /nfs/dbraw/zinc/84/84/47/773848447.db2.gz REALOCPELMMKID-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446675 773848449 /nfs/dbraw/zinc/84/84/49/773848449.db2.gz REALOCPELMMKID-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cncn2C)C1 ZINC001198276293 773890012 /nfs/dbraw/zinc/89/00/12/773890012.db2.gz UCWGNIJZHKMMIP-HUUCEWRRSA-N 2 1 306.410 0.480 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868316 773895511 /nfs/dbraw/zinc/89/55/11/773895511.db2.gz NRDIUNCBDVEIAF-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868316 773895516 /nfs/dbraw/zinc/89/55/16/773895516.db2.gz NRDIUNCBDVEIAF-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370040 774098276 /nfs/dbraw/zinc/09/82/76/774098276.db2.gz HUBPQSAMRSYYFD-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370040 774098278 /nfs/dbraw/zinc/09/82/78/774098278.db2.gz HUBPQSAMRSYYFD-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965489 774336841 /nfs/dbraw/zinc/33/68/41/774336841.db2.gz MAIBDXSYNCGTSW-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643577 774570340 /nfs/dbraw/zinc/57/03/40/774570340.db2.gz ZABIXKOARLXNTO-OAGGEKHMSA-N 2 1 307.438 0.456 20 30 DCEDMP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764861 774601175 /nfs/dbraw/zinc/60/11/75/774601175.db2.gz NLPXROVQNREXKI-PMPSAXMXSA-N 2 1 308.470 0.860 20 30 DCEDMP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764861 774601177 /nfs/dbraw/zinc/60/11/77/774601177.db2.gz NLPXROVQNREXKI-PMPSAXMXSA-N 2 1 308.470 0.860 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409466 774847053 /nfs/dbraw/zinc/84/70/53/774847053.db2.gz LPENZRHVCHKNMZ-FXUDXRNXSA-N 2 1 307.438 0.576 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220572714 774848684 /nfs/dbraw/zinc/84/86/84/774848684.db2.gz HTURHDBQORBWIG-PMPSAXMXSA-N 2 1 309.454 0.537 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976046 774967609 /nfs/dbraw/zinc/96/76/09/774967609.db2.gz HCUOSTCFNGUWHP-OAGGEKHMSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976046 774967614 /nfs/dbraw/zinc/96/76/14/774967614.db2.gz HCUOSTCFNGUWHP-OAGGEKHMSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976046 774967619 /nfs/dbraw/zinc/96/76/19/774967619.db2.gz HCUOSTCFNGUWHP-OAGGEKHMSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111037102 775432558 /nfs/dbraw/zinc/43/25/58/775432558.db2.gz KQORMCYLUXOXLE-HZMVEIRTSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111037102 775432564 /nfs/dbraw/zinc/43/25/64/775432564.db2.gz KQORMCYLUXOXLE-HZMVEIRTSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028566 775914208 /nfs/dbraw/zinc/91/42/08/775914208.db2.gz IDUNPKRAOSMQBA-KLHDSHLOSA-N 2 1 307.438 0.746 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028566 775914211 /nfs/dbraw/zinc/91/42/11/775914211.db2.gz IDUNPKRAOSMQBA-KLHDSHLOSA-N 2 1 307.438 0.746 20 30 DCEDMP C=CCOCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001230268016 776273352 /nfs/dbraw/zinc/27/33/52/776273352.db2.gz WICGERVHLBOTLK-UHFFFAOYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835881 777530971 /nfs/dbraw/zinc/53/09/71/777530971.db2.gz XHQWKGUQWWBLHS-WMZOPIPTSA-N 2 1 319.449 0.512 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042271088 777822403 /nfs/dbraw/zinc/82/24/03/777822403.db2.gz WGCDUUFBGRNPCE-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042271088 777822408 /nfs/dbraw/zinc/82/24/08/777822408.db2.gz WGCDUUFBGRNPCE-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001042291991 777841391 /nfs/dbraw/zinc/84/13/91/777841391.db2.gz JVOYOHYGNQNMQS-NVXWUHKLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1snnc1C ZINC001317596044 945095441 /nfs/dbraw/zinc/09/54/41/945095441.db2.gz FVINPXTVFZKAOH-ZDUSSCGKSA-N 2 1 321.450 0.492 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1snnc1C ZINC001317596044 945095453 /nfs/dbraw/zinc/09/54/53/945095453.db2.gz FVINPXTVFZKAOH-ZDUSSCGKSA-N 2 1 321.450 0.492 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273030464 945208460 /nfs/dbraw/zinc/20/84/60/945208460.db2.gz NGZQWRRPAYZAMX-KRWDZBQOSA-N 2 1 303.406 0.460 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001278288258 945208830 /nfs/dbraw/zinc/20/88/30/945208830.db2.gz CAVHNYQEFKXUBM-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001278288258 945208834 /nfs/dbraw/zinc/20/88/34/945208834.db2.gz CAVHNYQEFKXUBM-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001278307815 945215553 /nfs/dbraw/zinc/21/55/53/945215553.db2.gz HZGWEEBQSPUMLO-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCC[C@H](C)O)CC1 ZINC001266362860 939095703 /nfs/dbraw/zinc/09/57/03/939095703.db2.gz XWTZFQCNXPHCQE-HNNXBMFYSA-N 2 1 309.454 0.541 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001266440417 939118941 /nfs/dbraw/zinc/11/89/41/939118941.db2.gz SAKVNWFACRGLGV-UHFFFAOYSA-N 2 1 309.454 0.950 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266879736 939264548 /nfs/dbraw/zinc/26/45/48/939264548.db2.gz XFLARRNFHMPRGF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]CC#CCOC)CC1 ZINC001266916389 939275813 /nfs/dbraw/zinc/27/58/13/939275813.db2.gz XVQXJDFRHPPBAM-UHFFFAOYSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001267012024 939308115 /nfs/dbraw/zinc/30/81/15/939308115.db2.gz RHGYSZUDWYXIQI-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001267012024 939308119 /nfs/dbraw/zinc/30/81/19/939308119.db2.gz RHGYSZUDWYXIQI-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001267279988 939413537 /nfs/dbraw/zinc/41/35/37/939413537.db2.gz PNDGAPYJCKNGHS-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001267384599 939444160 /nfs/dbraw/zinc/44/41/60/939444160.db2.gz YIVBASOJIZNWCO-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001267453458 939459624 /nfs/dbraw/zinc/45/96/24/939459624.db2.gz CMRWQUJMVXIKRO-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267583592 939528341 /nfs/dbraw/zinc/52/83/41/939528341.db2.gz SVRBRXMYTSYMJY-OAHLLOKOSA-N 2 1 317.437 0.472 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055351 939542531 /nfs/dbraw/zinc/54/25/31/939542531.db2.gz DJTNMXCLWURHLJ-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001481069928 939547696 /nfs/dbraw/zinc/54/76/96/939547696.db2.gz DDHITQTXADLNTE-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001481069877 939547755 /nfs/dbraw/zinc/54/77/55/939547755.db2.gz CGENZOIDJPEXQZ-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267629929 939601471 /nfs/dbraw/zinc/60/14/71/939601471.db2.gz RFPHMXFOBJICNR-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267629929 939601473 /nfs/dbraw/zinc/60/14/73/939601473.db2.gz RFPHMXFOBJICNR-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267685020 939625144 /nfs/dbraw/zinc/62/51/44/939625144.db2.gz WWOLQZOOCKPIRD-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267685020 939625145 /nfs/dbraw/zinc/62/51/45/939625145.db2.gz WWOLQZOOCKPIRD-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267685020 939625146 /nfs/dbraw/zinc/62/51/46/939625146.db2.gz WWOLQZOOCKPIRD-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CCCC[C@H]1C ZINC001267872390 939698052 /nfs/dbraw/zinc/69/80/52/939698052.db2.gz CHBCPNDZSSMVNA-AEFFLSMTSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001482007337 940205624 /nfs/dbraw/zinc/20/56/24/940205624.db2.gz ANMSTYSXTMICGZ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001482007337 940205627 /nfs/dbraw/zinc/20/56/27/940205627.db2.gz ANMSTYSXTMICGZ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268658316 940321452 /nfs/dbraw/zinc/32/14/52/940321452.db2.gz HNJGAYJLPRYEAG-HIFRSBDPSA-N 2 1 318.421 0.498 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)COC(C)C ZINC001246001926 945311512 /nfs/dbraw/zinc/31/15/12/945311512.db2.gz QFYFLYRZVXKTPC-KGLIPLIRSA-N 2 1 302.415 0.589 20 30 DCEDMP C#CCN1C[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001273144189 945324732 /nfs/dbraw/zinc/32/47/32/945324732.db2.gz OIKXQEFWDUNBMA-GOSISDBHSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001269618372 940743501 /nfs/dbraw/zinc/74/35/01/940743501.db2.gz CBOVMRIAXWJOGI-QGPMSJSTSA-N 2 1 321.465 0.851 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269718819 940762821 /nfs/dbraw/zinc/76/28/21/940762821.db2.gz DRZJDLTVXVVFGQ-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001269718819 940762823 /nfs/dbraw/zinc/76/28/23/940762823.db2.gz DRZJDLTVXVVFGQ-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001269718819 940762825 /nfs/dbraw/zinc/76/28/25/940762825.db2.gz DRZJDLTVXVVFGQ-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001270387331 940891938 /nfs/dbraw/zinc/89/19/38/940891938.db2.gz KBKQMUQWWKLAJK-HZPDHXFCSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001270387331 940891940 /nfs/dbraw/zinc/89/19/40/940891940.db2.gz KBKQMUQWWKLAJK-HZPDHXFCSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001270847152 941009892 /nfs/dbraw/zinc/00/98/92/941009892.db2.gz LFLBKAFDPRGHDT-KRWDZBQOSA-N 2 1 324.469 0.457 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001271154113 941293245 /nfs/dbraw/zinc/29/32/45/941293245.db2.gz YKXQGEAPROPFFZ-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001271154113 941293247 /nfs/dbraw/zinc/29/32/47/941293247.db2.gz YKXQGEAPROPFFZ-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001271154113 941293249 /nfs/dbraw/zinc/29/32/49/941293249.db2.gz YKXQGEAPROPFFZ-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001271207318 941321687 /nfs/dbraw/zinc/32/16/87/941321687.db2.gz BJLIHQYOQOMZLF-KRWDZBQOSA-N 2 1 307.438 0.601 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CC(C)C2)C1 ZINC001271297113 941344972 /nfs/dbraw/zinc/34/49/72/941344972.db2.gz AHMBXXFCFWPLSO-GPANFISMSA-N 2 1 319.449 0.293 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271956038 941491411 /nfs/dbraw/zinc/49/14/11/941491411.db2.gz AJMAUVJRCXLYEY-AEFFLSMTSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(C)C ZINC001482842095 941686633 /nfs/dbraw/zinc/68/66/33/941686633.db2.gz UUPXVNPTFPJQQZ-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(C)C ZINC001482842095 941686634 /nfs/dbraw/zinc/68/66/34/941686634.db2.gz UUPXVNPTFPJQQZ-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001272196126 941793535 /nfs/dbraw/zinc/79/35/35/941793535.db2.gz JDZGIDCQWVHLQO-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591770 942011722 /nfs/dbraw/zinc/01/17/22/942011722.db2.gz WCBNFTGDKKXCQM-CVEARBPZSA-N 2 1 314.389 0.994 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001272565807 942827786 /nfs/dbraw/zinc/82/77/86/942827786.db2.gz OZUDRIZOPKIGNR-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484234532 943238743 /nfs/dbraw/zinc/23/87/43/943238743.db2.gz CFTIUXSEXQXIHY-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484234532 943238745 /nfs/dbraw/zinc/23/87/45/943238745.db2.gz CFTIUXSEXQXIHY-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484234532 943238752 /nfs/dbraw/zinc/23/87/52/943238752.db2.gz CFTIUXSEXQXIHY-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484240250 943244879 /nfs/dbraw/zinc/24/48/79/943244879.db2.gz AHFKFQPYYCLMRN-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001484240250 943244883 /nfs/dbraw/zinc/24/48/83/943244883.db2.gz AHFKFQPYYCLMRN-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001484240250 943244886 /nfs/dbraw/zinc/24/48/86/943244886.db2.gz AHFKFQPYYCLMRN-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001484721404 943539904 /nfs/dbraw/zinc/53/99/04/943539904.db2.gz GWKSUIQULSKQBM-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001484721404 943539906 /nfs/dbraw/zinc/53/99/06/943539906.db2.gz GWKSUIQULSKQBM-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001484721404 943539910 /nfs/dbraw/zinc/53/99/10/943539910.db2.gz GWKSUIQULSKQBM-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001485021111 943660213 /nfs/dbraw/zinc/66/02/13/943660213.db2.gz ZYGMQMLTUUNJHO-HOTGVXAUSA-N 2 1 319.449 0.580 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485077077 943684363 /nfs/dbraw/zinc/68/43/63/943684363.db2.gz QSJDAJUGWBUVEX-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485077077 943684366 /nfs/dbraw/zinc/68/43/66/943684366.db2.gz QSJDAJUGWBUVEX-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001485076263 943684447 /nfs/dbraw/zinc/68/44/47/943684447.db2.gz SCWZFZBELBBVPD-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001485076263 943684452 /nfs/dbraw/zinc/68/44/52/943684452.db2.gz SCWZFZBELBBVPD-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001485076263 943684454 /nfs/dbraw/zinc/68/44/54/943684454.db2.gz SCWZFZBELBBVPD-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001485076263 943684456 /nfs/dbraw/zinc/68/44/56/943684456.db2.gz SCWZFZBELBBVPD-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001485357765 943888998 /nfs/dbraw/zinc/88/89/98/943888998.db2.gz LSJRYKUDSKLTAI-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001485357765 943889011 /nfs/dbraw/zinc/88/90/11/943889011.db2.gz LSJRYKUDSKLTAI-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC[C@H](C)O)C1 ZINC001485686445 944081063 /nfs/dbraw/zinc/08/10/63/944081063.db2.gz UFABGKFEQLUDSF-QAETUUGQSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC[C@H](C)O)C1 ZINC001485686445 944081070 /nfs/dbraw/zinc/08/10/70/944081070.db2.gz UFABGKFEQLUDSF-QAETUUGQSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272807919 944239376 /nfs/dbraw/zinc/23/93/76/944239376.db2.gz JIAQHWZBNQBJGZ-QGZVFWFLSA-N 2 1 312.373 0.468 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272807919 944239385 /nfs/dbraw/zinc/23/93/85/944239385.db2.gz JIAQHWZBNQBJGZ-QGZVFWFLSA-N 2 1 312.373 0.468 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870966 944292467 /nfs/dbraw/zinc/29/24/67/944292467.db2.gz SXOVTTPBPDPMTG-KRWDZBQOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870966 944292473 /nfs/dbraw/zinc/29/24/73/944292473.db2.gz SXOVTTPBPDPMTG-KRWDZBQOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001276921988 944594195 /nfs/dbraw/zinc/59/41/95/944594195.db2.gz RQUMORUELKJRPY-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001316967867 944696584 /nfs/dbraw/zinc/69/65/84/944696584.db2.gz MLKPGNGQIDCZQW-UHFFFAOYSA-N 2 1 320.481 0.620 20 30 DCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001277272015 944734582 /nfs/dbraw/zinc/73/45/82/944734582.db2.gz MDNIQILUXFZMAM-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317086517 944787399 /nfs/dbraw/zinc/78/73/99/944787399.db2.gz QTQXIOLFOPNENB-SHTZXODSSA-N 2 1 318.421 0.893 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001486359004 944818432 /nfs/dbraw/zinc/81/84/32/944818432.db2.gz NPUOBJCFUGJEKI-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=C)C)CC1 ZINC001486359248 944823073 /nfs/dbraw/zinc/82/30/73/944823073.db2.gz SODZHIDZSUBUDT-KRWDZBQOSA-N 2 1 321.465 0.659 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317322928 944922595 /nfs/dbraw/zinc/92/25/95/944922595.db2.gz RQFKKYJRNYIEMQ-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317322926 944923035 /nfs/dbraw/zinc/92/30/35/944923035.db2.gz RQFKKYJRNYIEMQ-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001317446069 944975785 /nfs/dbraw/zinc/97/57/85/944975785.db2.gz SQTVRYDSQBLTJE-KFWWJZLASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001317446069 944975793 /nfs/dbraw/zinc/97/57/93/944975793.db2.gz SQTVRYDSQBLTJE-KFWWJZLASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001317446069 944975794 /nfs/dbraw/zinc/97/57/94/944975794.db2.gz SQTVRYDSQBLTJE-KFWWJZLASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001317446069 944975801 /nfs/dbraw/zinc/97/58/01/944975801.db2.gz SQTVRYDSQBLTJE-KFWWJZLASA-N 2 1 322.453 0.162 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001318704459 945429131 /nfs/dbraw/zinc/42/91/31/945429131.db2.gz AVTURIFROGUBPG-QGZVFWFLSA-N 2 1 318.421 0.716 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)COC ZINC001319080652 945494057 /nfs/dbraw/zinc/49/40/57/945494057.db2.gz FTYGQWAYNYUVEJ-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)COC ZINC001319080652 945494060 /nfs/dbraw/zinc/49/40/60/945494060.db2.gz FTYGQWAYNYUVEJ-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP CCOC(=O)[C@H]1C[N@H+]([C@H]2CCN[C@H](C#N)C2)CCC12C[NH2+]C2 ZINC001247008243 945539848 /nfs/dbraw/zinc/53/98/48/945539848.db2.gz MUNLIWWMIUKYRN-MELADBBJSA-N 2 1 306.410 0.105 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001319937253 945699526 /nfs/dbraw/zinc/69/95/26/945699526.db2.gz UPQCMMCPJKZHGY-ZIAGYGMSSA-N 2 1 310.442 0.113 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC#Cc2ccccc2)C1 ZINC001320313798 945818172 /nfs/dbraw/zinc/81/81/72/945818172.db2.gz NPDJRVGIMXJLHP-SJORKVTESA-N 2 1 315.417 0.057 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001273261969 946343257 /nfs/dbraw/zinc/34/32/57/946343257.db2.gz ZXLKWPIXRSIUKP-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001278798612 946415636 /nfs/dbraw/zinc/41/56/36/946415636.db2.gz QORHNXYHPQDBQY-HOCLYGCPSA-N 2 1 320.437 0.739 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278816795 946438138 /nfs/dbraw/zinc/43/81/38/946438138.db2.gz WTUAHBUBGRNXCZ-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278816795 946438143 /nfs/dbraw/zinc/43/81/43/946438143.db2.gz WTUAHBUBGRNXCZ-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278816795 946438145 /nfs/dbraw/zinc/43/81/45/946438145.db2.gz WTUAHBUBGRNXCZ-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001324662274 947494623 /nfs/dbraw/zinc/49/46/23/947494623.db2.gz UFKGSTQXUXRCQK-BBRMVZONSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001324662274 947494633 /nfs/dbraw/zinc/49/46/33/947494633.db2.gz UFKGSTQXUXRCQK-BBRMVZONSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325109713 947658000 /nfs/dbraw/zinc/65/80/00/947658000.db2.gz GVUQGRUFRYLPOO-NVXWUHKLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109713 947658009 /nfs/dbraw/zinc/65/80/09/947658009.db2.gz GVUQGRUFRYLPOO-NVXWUHKLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109713 947658016 /nfs/dbraw/zinc/65/80/16/947658016.db2.gz GVUQGRUFRYLPOO-NVXWUHKLSA-N 2 1 309.454 0.846 20 30 DCEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001326829476 948292743 /nfs/dbraw/zinc/29/27/43/948292743.db2.gz RDBCYFWAJFRNDM-AWEZNQCLSA-N 2 1 323.441 0.066 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001327064550 948384792 /nfs/dbraw/zinc/38/47/92/948384792.db2.gz TUCWKIZDLHRHKF-HNNXBMFYSA-N 2 1 322.409 0.211 20 30 DCEDMP C#CCN1CCC2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001273863110 948638504 /nfs/dbraw/zinc/63/85/04/948638504.db2.gz GNBIRGQOJPTYSK-OAHLLOKOSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001264536496 948997544 /nfs/dbraw/zinc/99/75/44/948997544.db2.gz ZVZZCZPQZBUZBX-ARFHVFGLSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001264623489 949032757 /nfs/dbraw/zinc/03/27/57/949032757.db2.gz CIXFZEPXSIJJPK-ZNMIVQPWSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001264623489 949032775 /nfs/dbraw/zinc/03/27/75/949032775.db2.gz CIXFZEPXSIJJPK-ZNMIVQPWSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)CC[NH+]2CCOCC2)CC1 ZINC001329255653 949468555 /nfs/dbraw/zinc/46/85/55/949468555.db2.gz JUDQEYVGMXMKFK-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](C(C)C)CC1 ZINC001265259524 949507964 /nfs/dbraw/zinc/50/79/64/949507964.db2.gz CIOVHAUKEKMAQQ-INIZCTEOSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](C(C)C)CC1 ZINC001265259524 949507978 /nfs/dbraw/zinc/50/79/78/949507978.db2.gz CIOVHAUKEKMAQQ-INIZCTEOSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001265367830 949634478 /nfs/dbraw/zinc/63/44/78/949634478.db2.gz FJIYXZQRSFLQIV-GOEBONIOSA-N 2 1 300.406 0.872 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265707920 949888355 /nfs/dbraw/zinc/88/83/55/949888355.db2.gz HDFZBXPTZOKYFM-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265707920 949888380 /nfs/dbraw/zinc/88/83/80/949888380.db2.gz HDFZBXPTZOKYFM-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CCN1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001330072228 950105248 /nfs/dbraw/zinc/10/52/48/950105248.db2.gz RZWRNBMHUQUUPF-CABCVRRESA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001330072228 950105264 /nfs/dbraw/zinc/10/52/64/950105264.db2.gz RZWRNBMHUQUUPF-CABCVRRESA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001330072228 950105277 /nfs/dbraw/zinc/10/52/77/950105277.db2.gz RZWRNBMHUQUUPF-CABCVRRESA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551358 950856434 /nfs/dbraw/zinc/85/64/34/950856434.db2.gz SGKQBRVPGOJNHB-UONOGXRCSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001281169152 951347034 /nfs/dbraw/zinc/34/70/34/951347034.db2.gz WZNIBFBUBHFVEI-KRWDZBQOSA-N 2 1 318.421 0.583 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001274125897 951430179 /nfs/dbraw/zinc/43/01/79/951430179.db2.gz VMBZVQUXYSEMTG-MFHOCJEASA-N 2 1 322.453 0.423 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001332050470 951452667 /nfs/dbraw/zinc/45/26/67/951452667.db2.gz PJXVKABHYUCWIB-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001281612815 951563272 /nfs/dbraw/zinc/56/32/72/951563272.db2.gz JELKPJCZYUEZRO-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC1CCCC1 ZINC001332521605 951679313 /nfs/dbraw/zinc/67/93/13/951679313.db2.gz HICTYPVAIDBDIM-SJORKVTESA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC1CCCC1 ZINC001332521605 951679317 /nfs/dbraw/zinc/67/93/17/951679317.db2.gz HICTYPVAIDBDIM-SJORKVTESA-N 2 1 321.465 0.683 20 30 DCEDMP C=C[C@@](C)(O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274614350 951738504 /nfs/dbraw/zinc/73/85/04/951738504.db2.gz FLVAPXNWGZIKTR-SJORKVTESA-N 2 1 323.437 0.326 20 30 DCEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@]12CCN(CCn1ccnc1)C2=O ZINC001274617342 951744214 /nfs/dbraw/zinc/74/42/14/951744214.db2.gz XKINGXLYOFBQJR-IAGOWNOFSA-N 2 1 318.421 0.887 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001332677762 951758193 /nfs/dbraw/zinc/75/81/93/951758193.db2.gz UJOSBBHYBUTBRA-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001276116141 952921335 /nfs/dbraw/zinc/92/13/35/952921335.db2.gz IGCPGKQBWGQGJV-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001276116141 952921339 /nfs/dbraw/zinc/92/13/39/952921339.db2.gz IGCPGKQBWGQGJV-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC001338493220 953020812 /nfs/dbraw/zinc/02/08/12/953020812.db2.gz YOVNHECUSZSUIK-MRXNPFEDSA-N 2 1 310.438 0.620 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001340892349 953201836 /nfs/dbraw/zinc/20/18/36/953201836.db2.gz FAIWLRDHHZAPND-UHFFFAOYSA-N 2 1 315.421 0.773 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001343682771 953364501 /nfs/dbraw/zinc/36/45/01/953364501.db2.gz FZTOWBAXIMPSEQ-SQWLQELKSA-N 2 1 311.426 0.012 20 30 DCEDMP C#CC[N@@H+](CC)CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001281840118 953382989 /nfs/dbraw/zinc/38/29/89/953382989.db2.gz KAFVGKALZLJUFN-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[N@H+](CC)CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001281840118 953382995 /nfs/dbraw/zinc/38/29/95/953382995.db2.gz KAFVGKALZLJUFN-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001282889266 953724421 /nfs/dbraw/zinc/72/44/21/953724421.db2.gz OUXIRQSJYAESAE-OSYLJGHBSA-N 2 1 321.465 0.662 20 30 DCEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)CN1CC[NH+](C)CC1 ZINC001346492059 953901055 /nfs/dbraw/zinc/90/10/55/953901055.db2.gz FPTZWQIOSQRFNK-HUUCEWRRSA-N 2 1 309.458 0.397 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2C#N)C1 ZINC001367626870 958215562 /nfs/dbraw/zinc/21/55/62/958215562.db2.gz QNWGYGNIYBFCND-JKSUJKDBSA-N 2 1 316.405 0.077 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001491843653 959295602 /nfs/dbraw/zinc/29/56/02/959295602.db2.gz VBFCMLZHVZTIPH-AWEZNQCLSA-N 2 1 309.373 0.952 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001316747448 960363752 /nfs/dbraw/zinc/36/37/52/960363752.db2.gz IWEJJHAWPFFYME-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001316747448 960363761 /nfs/dbraw/zinc/36/37/61/960363761.db2.gz IWEJJHAWPFFYME-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001316747448 960363769 /nfs/dbraw/zinc/36/37/69/960363769.db2.gz IWEJJHAWPFFYME-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379884122 962209094 /nfs/dbraw/zinc/20/90/94/962209094.db2.gz XKXOPMFTGOGMKY-QWHCGFSZSA-N 2 1 303.834 0.490 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001382171307 967004089 /nfs/dbraw/zinc/00/40/89/967004089.db2.gz QUBLBVLWGNHUSG-QWHCGFSZSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001382171307 967004096 /nfs/dbraw/zinc/00/40/96/967004096.db2.gz QUBLBVLWGNHUSG-QWHCGFSZSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001394651253 993970525 /nfs/dbraw/zinc/97/05/25/993970525.db2.gz ZWLIZLPDULGDRX-OLZOCXBDSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001394651253 993970529 /nfs/dbraw/zinc/97/05/29/993970529.db2.gz ZWLIZLPDULGDRX-OLZOCXBDSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001507232884 1016157091 /nfs/dbraw/zinc/15/70/91/1016157091.db2.gz OASHWCPINMUUEM-UONOGXRCSA-N 2 1 306.410 0.397 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001507528671 1016446398 /nfs/dbraw/zinc/44/63/98/1016446398.db2.gz JCPJFULVGAHRBM-IAGOWNOFSA-N 2 1 317.433 0.722 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001402611948 1001439893 /nfs/dbraw/zinc/43/98/93/1001439893.db2.gz XPMAOOWRBVPKAQ-TZMCWYRMSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001420131638 1001922161 /nfs/dbraw/zinc/92/21/61/1001922161.db2.gz CNKZVFNDQXUYCX-OLZOCXBDSA-N 2 1 303.834 0.680 20 30 DCEDMP COCC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001508081801 1016646176 /nfs/dbraw/zinc/64/61/76/1016646176.db2.gz ANECZOLHKHVGJE-RDJZCZTQSA-N 2 1 321.465 0.805 20 30 DCEDMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(C#N)c1 ZINC001437120997 1006613220 /nfs/dbraw/zinc/61/32/20/1006613220.db2.gz IROOXGNKBOLOAA-BBRMVZONSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(C#N)c1 ZINC001437120997 1006613230 /nfs/dbraw/zinc/61/32/30/1006613230.db2.gz IROOXGNKBOLOAA-BBRMVZONSA-N 2 1 316.405 0.483 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001479548004 1017580928 /nfs/dbraw/zinc/58/09/28/1017580928.db2.gz KTCZTNCIRXQHIF-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001479722940 1017673097 /nfs/dbraw/zinc/67/30/97/1017673097.db2.gz AKGCPFSNXUWJFV-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001479722940 1017673102 /nfs/dbraw/zinc/67/31/02/1017673102.db2.gz AKGCPFSNXUWJFV-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001479722940 1017673111 /nfs/dbraw/zinc/67/31/11/1017673111.db2.gz AKGCPFSNXUWJFV-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001479722940 1017673115 /nfs/dbraw/zinc/67/31/15/1017673115.db2.gz AKGCPFSNXUWJFV-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001499275606 1017800932 /nfs/dbraw/zinc/80/09/32/1017800932.db2.gz ZHVMBGDIAJVDJY-INIZCTEOSA-N 2 1 321.465 0.995 20 30 DCEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001479963379 1018061219 /nfs/dbraw/zinc/06/12/19/1018061219.db2.gz BQMWXCZAADMVBO-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001479963379 1018061234 /nfs/dbraw/zinc/06/12/34/1018061234.db2.gz BQMWXCZAADMVBO-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494863978 1018114679 /nfs/dbraw/zinc/11/46/79/1018114679.db2.gz PJAKDEWETUKQJX-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494863978 1018114685 /nfs/dbraw/zinc/11/46/85/1018114685.db2.gz PJAKDEWETUKQJX-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494863978 1018114691 /nfs/dbraw/zinc/11/46/91/1018114691.db2.gz PJAKDEWETUKQJX-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494863978 1018114697 /nfs/dbraw/zinc/11/46/97/1018114697.db2.gz PJAKDEWETUKQJX-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001500057220 1018193092 /nfs/dbraw/zinc/19/30/92/1018193092.db2.gz DNTKYGFFKCXQKT-OAHLLOKOSA-N 2 1 309.454 0.634 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001500282917 1018379755 /nfs/dbraw/zinc/37/97/55/1018379755.db2.gz XURLSCLZSHWGIG-RHSMWYFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001500282917 1018379769 /nfs/dbraw/zinc/37/97/69/1018379769.db2.gz XURLSCLZSHWGIG-RHSMWYFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001500282917 1018379776 /nfs/dbraw/zinc/37/97/76/1018379776.db2.gz XURLSCLZSHWGIG-RHSMWYFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001500282917 1018379803 /nfs/dbraw/zinc/37/98/03/1018379803.db2.gz XURLSCLZSHWGIG-RHSMWYFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500725844 1018611811 /nfs/dbraw/zinc/61/18/11/1018611811.db2.gz VJRFBWNHSFLCCI-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500725844 1018611820 /nfs/dbraw/zinc/61/18/20/1018611820.db2.gz VJRFBWNHSFLCCI-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500725844 1018611828 /nfs/dbraw/zinc/61/18/28/1018611828.db2.gz VJRFBWNHSFLCCI-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC[C@H]1CCOC1 ZINC001498054929 1018616924 /nfs/dbraw/zinc/61/69/24/1018616924.db2.gz GCHBSKHSSXKIHA-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC[C@H]1CCOC1 ZINC001498054929 1018616928 /nfs/dbraw/zinc/61/69/28/1018616928.db2.gz GCHBSKHSSXKIHA-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314407 1018941895 /nfs/dbraw/zinc/94/18/95/1018941895.db2.gz SFCBHUAKFUDDEC-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314407 1018941903 /nfs/dbraw/zinc/94/19/03/1018941903.db2.gz SFCBHUAKFUDDEC-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314407 1018941910 /nfs/dbraw/zinc/94/19/10/1018941910.db2.gz SFCBHUAKFUDDEC-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314407 1018941920 /nfs/dbraw/zinc/94/19/20/1018941920.db2.gz SFCBHUAKFUDDEC-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cncn1C ZINC001498560332 1019228898 /nfs/dbraw/zinc/22/88/98/1019228898.db2.gz QBRBAQXPQOPDRR-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cncn1C ZINC001498560332 1019228907 /nfs/dbraw/zinc/22/89/07/1019228907.db2.gz QBRBAQXPQOPDRR-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001502102087 1019721437 /nfs/dbraw/zinc/72/14/37/1019721437.db2.gz PQTBEUZMGQAILR-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001502102087 1019721454 /nfs/dbraw/zinc/72/14/54/1019721454.db2.gz PQTBEUZMGQAILR-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001661881496 1174167424 /nfs/dbraw/zinc/16/74/24/1174167424.db2.gz ZJERKKJXZLLMLO-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001661881496 1174167440 /nfs/dbraw/zinc/16/74/40/1174167440.db2.gz ZJERKKJXZLLMLO-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP CN(C)C(=O)CNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C1CCCC1 ZINC000262337134 238172008 /nfs/dbraw/zinc/17/20/08/238172008.db2.gz WKWXMNQHDNMIGU-CQSZACIVSA-N 2 1 321.469 0.789 20 30 DCEDMP CN(C)C(=O)CNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C1CCCC1 ZINC000262337134 238172010 /nfs/dbraw/zinc/17/20/10/238172010.db2.gz WKWXMNQHDNMIGU-CQSZACIVSA-N 2 1 321.469 0.789 20 30 DCEDMP Cc1ccc([C@@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264106906 238190454 /nfs/dbraw/zinc/19/04/54/238190454.db2.gz PVTGDBQNLANCCE-INIZCTEOSA-N 2 1 320.437 0.655 20 30 DCEDMP N#Cc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264136752 238192828 /nfs/dbraw/zinc/19/28/28/238192828.db2.gz ZXLYZFVSIIPNQW-UHFFFAOYSA-N 2 1 301.394 0.685 20 30 DCEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)nc1 ZINC000278205575 533421419 /nfs/dbraw/zinc/42/14/19/533421419.db2.gz HRAGWDNZSKEQNY-UHFFFAOYSA-N 2 1 307.398 0.217 20 30 DCEDMP COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1C#N ZINC000261604364 396048604 /nfs/dbraw/zinc/04/86/04/396048604.db2.gz ADFFKYJNMZESCK-HNNXBMFYSA-N 2 1 316.405 0.854 20 30 DCEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000104156861 415623606 /nfs/dbraw/zinc/62/36/06/415623606.db2.gz LVBYKFAGRPYEEV-AWEZNQCLSA-N 2 1 320.437 0.958 20 30 DCEDMP C=CCN1CC[C@H](N(C)CC[N@@H+](C)C2CCN(C)CC2)C1=O ZINC000337190541 415924455 /nfs/dbraw/zinc/92/44/55/415924455.db2.gz SPENTSMZSOPQJJ-INIZCTEOSA-N 2 1 308.470 0.731 20 30 DCEDMP CCO[C@@H]1C[C@@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C12CCC2 ZINC000304777529 416102508 /nfs/dbraw/zinc/10/25/08/416102508.db2.gz DPNRPJKHONYQLF-HUUCEWRRSA-N 2 1 324.469 0.961 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000329247743 416158965 /nfs/dbraw/zinc/15/89/65/416158965.db2.gz SBNOSBQUFSBPML-AWEZNQCLSA-N 2 1 324.469 0.773 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261632249 416335718 /nfs/dbraw/zinc/33/57/18/416335718.db2.gz DFDNTPCDSOQREW-SOUVJXGZSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000491407583 416597473 /nfs/dbraw/zinc/59/74/73/416597473.db2.gz RTKMPOIRTPVQIH-ZDUSSCGKSA-N 2 1 316.405 0.716 20 30 DCEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491676554 416612815 /nfs/dbraw/zinc/61/28/15/416612815.db2.gz OREHVDBLXSCRFK-UHFFFAOYSA-N 2 1 315.417 0.748 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000491741460 416621175 /nfs/dbraw/zinc/62/11/75/416621175.db2.gz IMNINTKMVJVBJA-GJZGRUSLSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000491741460 416621177 /nfs/dbraw/zinc/62/11/77/416621177.db2.gz IMNINTKMVJVBJA-GJZGRUSLSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000491741460 416621182 /nfs/dbraw/zinc/62/11/82/416621182.db2.gz IMNINTKMVJVBJA-GJZGRUSLSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000491748697 416622907 /nfs/dbraw/zinc/62/29/07/416622907.db2.gz TXVFCRVQBLTPML-INIZCTEOSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000491748697 416622910 /nfs/dbraw/zinc/62/29/10/416622910.db2.gz TXVFCRVQBLTPML-INIZCTEOSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000491748697 416622914 /nfs/dbraw/zinc/62/29/14/416622914.db2.gz TXVFCRVQBLTPML-INIZCTEOSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CC[C@@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]1 ZINC000662766853 417896795 /nfs/dbraw/zinc/89/67/95/417896795.db2.gz NRSOKCVNLYKKDK-YOEHRIQHSA-N 2 1 320.437 0.108 20 30 DCEDMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000330176475 336121129 /nfs/dbraw/zinc/12/11/29/336121129.db2.gz CIMMLCUPPJNLKC-FPCVCCKLSA-N 2 1 324.469 0.914 20 30 DCEDMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000330176475 336121130 /nfs/dbraw/zinc/12/11/30/336121130.db2.gz CIMMLCUPPJNLKC-FPCVCCKLSA-N 2 1 324.469 0.914 20 30 DCEDMP CC#CC[N@@H+](CC)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001567332859 1160314397 /nfs/dbraw/zinc/31/43/97/1160314397.db2.gz GCIXOGDYFLWWJZ-UHFFFAOYSA-N 2 1 305.426 0.520 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001568277371 1160619319 /nfs/dbraw/zinc/61/93/19/1160619319.db2.gz WUJTZQYRBVUOIJ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569748781 1161221193 /nfs/dbraw/zinc/22/11/93/1161221193.db2.gz IUTZNOFJSONBEF-ZFWWWQNUSA-N 2 1 301.406 0.405 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358720759 526590682 /nfs/dbraw/zinc/59/06/82/526590682.db2.gz MFQNUAPMOYHMLE-INIZCTEOSA-N 2 1 310.442 0.393 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000265791667 526920766 /nfs/dbraw/zinc/92/07/66/526920766.db2.gz UPNXTQCHYVIKON-UHFFFAOYSA-N 2 1 315.421 0.414 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001670204546 1174992376 /nfs/dbraw/zinc/99/23/76/1174992376.db2.gz KKKNGSBJHRAPQA-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978629161 660572346 /nfs/dbraw/zinc/57/23/46/660572346.db2.gz NUTIGZPCUNUWHO-QSPRXWTASA-N 2 1 312.417 0.681 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978629161 660572347 /nfs/dbraw/zinc/57/23/47/660572347.db2.gz NUTIGZPCUNUWHO-QSPRXWTASA-N 2 1 312.417 0.681 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643194 660579424 /nfs/dbraw/zinc/57/94/24/660579424.db2.gz WNUHMZPHVGVRMP-NXOAAHMSSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643194 660579426 /nfs/dbraw/zinc/57/94/26/660579426.db2.gz WNUHMZPHVGVRMP-NXOAAHMSSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643194 660579427 /nfs/dbraw/zinc/57/94/27/660579427.db2.gz WNUHMZPHVGVRMP-NXOAAHMSSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643197 660579527 /nfs/dbraw/zinc/57/95/27/660579527.db2.gz WNUHMZPHVGVRMP-WCXIOVBPSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643197 660579528 /nfs/dbraw/zinc/57/95/28/660579528.db2.gz WNUHMZPHVGVRMP-WCXIOVBPSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643197 660579529 /nfs/dbraw/zinc/57/95/29/660579529.db2.gz WNUHMZPHVGVRMP-WCXIOVBPSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980220437 660893672 /nfs/dbraw/zinc/89/36/72/660893672.db2.gz ZRWVBZJGGXGKLD-JYJNAYRXSA-N 2 1 301.434 0.932 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036823 661093528 /nfs/dbraw/zinc/09/35/28/661093528.db2.gz IAACDTXKKKRTHO-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036823 661093531 /nfs/dbraw/zinc/09/35/31/661093531.db2.gz IAACDTXKKKRTHO-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036823 661093533 /nfs/dbraw/zinc/09/35/33/661093533.db2.gz IAACDTXKKKRTHO-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185318 661096412 /nfs/dbraw/zinc/09/64/12/661096412.db2.gz TZDBVTLSCLKRFH-QWHCGFSZSA-N 2 1 304.394 1.000 20 30 DCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970560949 657631472 /nfs/dbraw/zinc/63/14/72/657631472.db2.gz RCXSHVINGSDWHX-CQSZACIVSA-N 2 1 317.437 0.518 20 30 DCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968819 658104815 /nfs/dbraw/zinc/10/48/15/658104815.db2.gz IEVPDLMHHJRMKX-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971968819 658104819 /nfs/dbraw/zinc/10/48/19/658104819.db2.gz IEVPDLMHHJRMKX-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971968819 658104826 /nfs/dbraw/zinc/10/48/26/658104826.db2.gz IEVPDLMHHJRMKX-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969490 658107348 /nfs/dbraw/zinc/10/73/48/658107348.db2.gz NWLIPYCFQFYHNG-DGNOSDGRSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971969490 658107354 /nfs/dbraw/zinc/10/73/54/658107354.db2.gz NWLIPYCFQFYHNG-DGNOSDGRSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971969490 658107356 /nfs/dbraw/zinc/10/73/56/658107356.db2.gz NWLIPYCFQFYHNG-DGNOSDGRSA-N 2 1 303.406 0.016 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972673401 658223035 /nfs/dbraw/zinc/22/30/35/658223035.db2.gz HMZKLUXJEWBZPP-KRWDZBQOSA-N 2 1 307.438 0.962 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972673401 658223040 /nfs/dbraw/zinc/22/30/40/658223040.db2.gz HMZKLUXJEWBZPP-KRWDZBQOSA-N 2 1 307.438 0.962 20 30 DCEDMP CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673245 658223102 /nfs/dbraw/zinc/22/31/02/658223102.db2.gz GECWVAXKQXSTSQ-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999145674 665585510 /nfs/dbraw/zinc/58/55/10/665585510.db2.gz OQZMQPAONWBESZ-UZZMVUAXSA-N 2 1 305.422 0.615 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972294838 658533816 /nfs/dbraw/zinc/53/38/16/658533816.db2.gz OBNDNVHPGWQQAD-DOTOQJQBSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972294838 658533820 /nfs/dbraw/zinc/53/38/20/658533820.db2.gz OBNDNVHPGWQQAD-DOTOQJQBSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972294838 658533823 /nfs/dbraw/zinc/53/38/23/658533823.db2.gz OBNDNVHPGWQQAD-DOTOQJQBSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972294838 658533829 /nfs/dbraw/zinc/53/38/29/658533829.db2.gz OBNDNVHPGWQQAD-DOTOQJQBSA-N 2 1 305.422 0.407 20 30 DCEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486502 659459159 /nfs/dbraw/zinc/45/91/59/659459159.db2.gz DDGBPNDGOIAOAE-GOEBONIOSA-N 2 1 324.469 0.818 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001025630270 659497013 /nfs/dbraw/zinc/49/70/13/659497013.db2.gz RUFYTIXADGIGQW-WBVHZDCISA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](CC)OC)C[C@H]21 ZINC001025814030 659575960 /nfs/dbraw/zinc/57/59/60/659575960.db2.gz DXDVZUBPNKJZIU-NRKLIOEPSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](CC)OC)C[C@H]21 ZINC001025814030 659575962 /nfs/dbraw/zinc/57/59/62/659575962.db2.gz DXDVZUBPNKJZIU-NRKLIOEPSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](CC)OC)C[C@H]21 ZINC001025814030 659575965 /nfs/dbraw/zinc/57/59/65/659575965.db2.gz DXDVZUBPNKJZIU-NRKLIOEPSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](CC)OC)C[C@H]21 ZINC001025814030 659575967 /nfs/dbraw/zinc/57/59/67/659575967.db2.gz DXDVZUBPNKJZIU-NRKLIOEPSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982158546 661299495 /nfs/dbraw/zinc/29/94/95/661299495.db2.gz NIZOIHBIKUSFEF-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982158546 661299497 /nfs/dbraw/zinc/29/94/97/661299497.db2.gz NIZOIHBIKUSFEF-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158546 661299501 /nfs/dbraw/zinc/29/95/01/661299501.db2.gz NIZOIHBIKUSFEF-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158546 661299503 /nfs/dbraw/zinc/29/95/03/661299503.db2.gz NIZOIHBIKUSFEF-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799560 661830547 /nfs/dbraw/zinc/83/05/47/661830547.db2.gz CSXOYGLWYGDXOA-GJZGRUSLSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799560 661830549 /nfs/dbraw/zinc/83/05/49/661830549.db2.gz CSXOYGLWYGDXOA-GJZGRUSLSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648940 665821877 /nfs/dbraw/zinc/82/18/77/665821877.db2.gz JXKMYBSIIRVVFT-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648940 665821880 /nfs/dbraw/zinc/82/18/80/665821880.db2.gz JXKMYBSIIRVVFT-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648940 665821882 /nfs/dbraw/zinc/82/18/82/665821882.db2.gz JXKMYBSIIRVVFT-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648940 665821883 /nfs/dbraw/zinc/82/18/83/665821883.db2.gz JXKMYBSIIRVVFT-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648940 665821885 /nfs/dbraw/zinc/82/18/85/665821885.db2.gz JXKMYBSIIRVVFT-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000985443371 662449083 /nfs/dbraw/zinc/44/90/83/662449083.db2.gz USBDMGUSJAQQGT-HOTGVXAUSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000947319506 662509332 /nfs/dbraw/zinc/50/93/32/662509332.db2.gz SGMISPZHRONAIM-HUUCEWRRSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)CC1 ZINC000985799863 662515008 /nfs/dbraw/zinc/51/50/08/662515008.db2.gz OKWYFGFOFURCGI-QGZVFWFLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+](C)CCCN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000925311496 662898519 /nfs/dbraw/zinc/89/85/19/662898519.db2.gz DUARQZCLZQOCEG-AWEZNQCLSA-N 2 1 306.410 0.348 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2CC)CC1 ZINC000897674893 662920284 /nfs/dbraw/zinc/92/02/84/662920284.db2.gz KZFXDCXRBRBBKS-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2CC)CC1 ZINC000897674893 662920285 /nfs/dbraw/zinc/92/02/85/662920285.db2.gz KZFXDCXRBRBBKS-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC)CC1 ZINC001032800671 665977146 /nfs/dbraw/zinc/97/71/46/665977146.db2.gz UEPSWPQSEOETJS-HOTGVXAUSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC)CC1 ZINC001032800671 665977149 /nfs/dbraw/zinc/97/71/49/665977149.db2.gz UEPSWPQSEOETJS-HOTGVXAUSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC000992854606 664779784 /nfs/dbraw/zinc/77/97/84/664779784.db2.gz IKVLBBZXKIISIC-IXDOHACOSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCOC)[C@H]2C)CC1 ZINC000994493559 665116419 /nfs/dbraw/zinc/11/64/19/665116419.db2.gz DTJKKORRUHDXMS-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941674482 666038989 /nfs/dbraw/zinc/03/89/89/666038989.db2.gz CRGGPZRRZVPSET-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941674482 666038990 /nfs/dbraw/zinc/03/89/90/666038990.db2.gz CRGGPZRRZVPSET-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677651 666039673 /nfs/dbraw/zinc/03/96/73/666039673.db2.gz RTKOYGIAXXXTGF-IYBDPMFKSA-N 2 1 320.481 0.874 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677651 666039676 /nfs/dbraw/zinc/03/96/76/666039676.db2.gz RTKOYGIAXXXTGF-IYBDPMFKSA-N 2 1 320.481 0.874 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001691776465 1157587197 /nfs/dbraw/zinc/58/71/97/1157587197.db2.gz FCLPJYZVNDDORX-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001002137904 666135276 /nfs/dbraw/zinc/13/52/76/666135276.db2.gz DUEWVGJCZULJAM-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002137904 666135278 /nfs/dbraw/zinc/13/52/78/666135278.db2.gz DUEWVGJCZULJAM-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001032837134 666289028 /nfs/dbraw/zinc/28/90/28/666289028.db2.gz IEYDOZTVDGGHCP-OAGGEKHMSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCOC)CC1 ZINC001005519037 666941000 /nfs/dbraw/zinc/94/10/00/666941000.db2.gz RGDMIODNKSSXHZ-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCOC)CC1 ZINC001005519037 666941001 /nfs/dbraw/zinc/94/10/01/666941001.db2.gz RGDMIODNKSSXHZ-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1 ZINC000997624550 667350318 /nfs/dbraw/zinc/35/03/18/667350318.db2.gz TYUQUYJSRPMVRT-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1 ZINC000997624550 667350320 /nfs/dbraw/zinc/35/03/20/667350320.db2.gz TYUQUYJSRPMVRT-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000866714548 667390150 /nfs/dbraw/zinc/39/01/50/667390150.db2.gz ROKOIMLFNZCHFZ-HRCADAONSA-N 2 1 312.373 0.925 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC001035712675 667402934 /nfs/dbraw/zinc/40/29/34/667402934.db2.gz KOWZSIIALPNQEH-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)CC2 ZINC001035854033 667414565 /nfs/dbraw/zinc/41/45/65/667414565.db2.gz VNNJANFDWQYKBP-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035854033 667414566 /nfs/dbraw/zinc/41/45/66/667414566.db2.gz VNNJANFDWQYKBP-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000884161771 667487878 /nfs/dbraw/zinc/48/78/78/667487878.db2.gz MQPLFJWWTFMGSM-GJZGRUSLSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000884161771 667487879 /nfs/dbraw/zinc/48/78/79/667487879.db2.gz MQPLFJWWTFMGSM-GJZGRUSLSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000884161771 667487880 /nfs/dbraw/zinc/48/78/80/667487880.db2.gz MQPLFJWWTFMGSM-GJZGRUSLSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000884161771 667487881 /nfs/dbraw/zinc/48/78/81/667487881.db2.gz MQPLFJWWTFMGSM-GJZGRUSLSA-N 2 1 308.426 0.104 20 30 DCEDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000923425129 667531333 /nfs/dbraw/zinc/53/13/33/667531333.db2.gz IHTNQSLFGXXPQU-ZMSDIMECSA-N 2 1 301.390 0.839 20 30 DCEDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000923425129 667531335 /nfs/dbraw/zinc/53/13/35/667531335.db2.gz IHTNQSLFGXXPQU-ZMSDIMECSA-N 2 1 301.390 0.839 20 30 DCEDMP CC(C)[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[N@H+]1C ZINC000884471565 667551499 /nfs/dbraw/zinc/55/14/99/667551499.db2.gz AEPYPTCDPAJYLN-KRIMKBQASA-N 2 1 304.438 0.924 20 30 DCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C#N)CCCOC1 ZINC000869237459 667640250 /nfs/dbraw/zinc/64/02/50/667640250.db2.gz STIUTDURSHYWQN-GOEBONIOSA-N 2 1 310.442 0.695 20 30 DCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C#N)CCCOC1 ZINC000869237459 667640253 /nfs/dbraw/zinc/64/02/53/667640253.db2.gz STIUTDURSHYWQN-GOEBONIOSA-N 2 1 310.442 0.695 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000875248881 668289603 /nfs/dbraw/zinc/28/96/03/668289603.db2.gz UORBOJXWUFUSKQ-HNNXBMFYSA-N 2 1 324.469 0.781 20 30 DCEDMP C#C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000775800851 668868057 /nfs/dbraw/zinc/86/80/57/668868057.db2.gz VAYOMGNBKICOPX-HZPDHXFCSA-N 2 1 305.422 0.500 20 30 DCEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380473 670327897 /nfs/dbraw/zinc/32/78/97/670327897.db2.gz HRTPFUDFIAYDAM-UPTPFMHGSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526162 670362078 /nfs/dbraw/zinc/36/20/78/670362078.db2.gz HCTSZOZTTBCCKS-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526162 670362083 /nfs/dbraw/zinc/36/20/83/670362083.db2.gz HCTSZOZTTBCCKS-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526162 670362087 /nfs/dbraw/zinc/36/20/87/670362087.db2.gz HCTSZOZTTBCCKS-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996258 670747233 /nfs/dbraw/zinc/74/72/33/670747233.db2.gz NICDQZOQLYZMOP-HNNXBMFYSA-N 2 1 311.474 0.214 20 30 DCEDMP C#CCOCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000851842232 671044312 /nfs/dbraw/zinc/04/43/12/671044312.db2.gz SJUNEAYWGWLUCP-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852360024 671121601 /nfs/dbraw/zinc/12/16/01/671121601.db2.gz SHTYVVSSWRDANB-MRXNPFEDSA-N 2 1 322.453 0.494 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000852865738 671179111 /nfs/dbraw/zinc/17/91/11/671179111.db2.gz NQMQYXKYYWXNJP-HZPDHXFCSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CCO[C@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000822952757 671357161 /nfs/dbraw/zinc/35/71/61/671357161.db2.gz YBVNYMILMBXLFD-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100193 671449780 /nfs/dbraw/zinc/44/97/80/671449780.db2.gz XOWZKKSKCWIGED-UHFFFAOYSA-N 2 1 302.422 0.886 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827456315 671528523 /nfs/dbraw/zinc/52/85/23/671528523.db2.gz IIKUGCVFRFPQDE-KRWDZBQOSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827456315 671528524 /nfs/dbraw/zinc/52/85/24/671528524.db2.gz IIKUGCVFRFPQDE-KRWDZBQOSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001755858669 1158314509 /nfs/dbraw/zinc/31/45/09/1158314509.db2.gz NDRZXLUXEFXXPO-UHFFFAOYSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001020250754 693745835 /nfs/dbraw/zinc/74/58/35/693745835.db2.gz PCEATCTXQDEDFO-DZKIICNBSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001020250754 693745839 /nfs/dbraw/zinc/74/58/39/693745839.db2.gz PCEATCTXQDEDFO-DZKIICNBSA-N 2 1 315.421 0.255 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174023 687404840 /nfs/dbraw/zinc/40/48/40/687404840.db2.gz BKAJXUFPYVNSRG-JKSUJKDBSA-N 2 1 319.449 0.295 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219009 687450111 /nfs/dbraw/zinc/45/01/11/687450111.db2.gz GXRQVTXVCYGFGH-DZGCQCFKSA-N 2 1 300.362 0.543 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257991 687486337 /nfs/dbraw/zinc/48/63/37/687486337.db2.gz MFNYJFWYMDFDCC-GXTWGEPZSA-N 2 1 300.362 0.543 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266754 687494671 /nfs/dbraw/zinc/49/46/71/687494671.db2.gz CFACDCQAONUHKA-HOCLYGCPSA-N 2 1 312.373 0.380 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000963961668 689113326 /nfs/dbraw/zinc/11/33/26/689113326.db2.gz SZZMERWQBWBGFX-LETWWHAPSA-N 2 1 305.422 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000963961668 689113328 /nfs/dbraw/zinc/11/33/28/689113328.db2.gz SZZMERWQBWBGFX-LETWWHAPSA-N 2 1 305.422 0.093 20 30 DCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000965925139 689584335 /nfs/dbraw/zinc/58/43/35/689584335.db2.gz JLBBJRDMUAKWSB-UKEPKTAJSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000965925139 689584339 /nfs/dbraw/zinc/58/43/39/689584339.db2.gz JLBBJRDMUAKWSB-UKEPKTAJSA-N 2 1 307.438 0.910 20 30 DCEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001039282329 694334038 /nfs/dbraw/zinc/33/40/38/694334038.db2.gz MUCHJGSCENBCTL-AKBNIOSXSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001039282329 694334043 /nfs/dbraw/zinc/33/40/43/694334043.db2.gz MUCHJGSCENBCTL-AKBNIOSXSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008825461 690931074 /nfs/dbraw/zinc/93/10/74/690931074.db2.gz DJWOQCRSSDWBQM-MRXNPFEDSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001016330479 692654692 /nfs/dbraw/zinc/65/46/92/692654692.db2.gz GSECATUKCQYXEU-RDJZCZTQSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001016335600 692655185 /nfs/dbraw/zinc/65/51/85/692655185.db2.gz FEDPZPYGXBJKPW-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016553081 692718024 /nfs/dbraw/zinc/71/80/24/692718024.db2.gz PNZXZUGVFGCMFP-CABCVRRESA-N 2 1 305.422 0.311 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553081 692718029 /nfs/dbraw/zinc/71/80/29/692718029.db2.gz PNZXZUGVFGCMFP-CABCVRRESA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001018985368 693306893 /nfs/dbraw/zinc/30/68/93/693306893.db2.gz OWCAVOYGOPSPIQ-HOTGVXAUSA-N 2 1 315.421 0.171 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001018985368 693306899 /nfs/dbraw/zinc/30/68/99/693306899.db2.gz OWCAVOYGOPSPIQ-HOTGVXAUSA-N 2 1 315.421 0.171 20 30 DCEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073561949 694743224 /nfs/dbraw/zinc/74/32/24/694743224.db2.gz GPOPXIKZGYCQCJ-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073561949 694743225 /nfs/dbraw/zinc/74/32/25/694743225.db2.gz GPOPXIKZGYCQCJ-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073561949 694743226 /nfs/dbraw/zinc/74/32/26/694743226.db2.gz GPOPXIKZGYCQCJ-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073561949 694743227 /nfs/dbraw/zinc/74/32/27/694743227.db2.gz GPOPXIKZGYCQCJ-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605696 694750591 /nfs/dbraw/zinc/75/05/91/694750591.db2.gz QXZSAYLAZAYKRH-JKSUJKDBSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605696 694750592 /nfs/dbraw/zinc/75/05/92/694750592.db2.gz QXZSAYLAZAYKRH-JKSUJKDBSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC)CCCO1 ZINC001073640087 694757784 /nfs/dbraw/zinc/75/77/84/694757784.db2.gz ULTTZZWHEUAUOQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC)CCCO1 ZINC001073640087 694757785 /nfs/dbraw/zinc/75/77/85/694757785.db2.gz ULTTZZWHEUAUOQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC)CCCO1 ZINC001073640087 694757786 /nfs/dbraw/zinc/75/77/86/694757786.db2.gz ULTTZZWHEUAUOQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC)CCCO1 ZINC001073640087 694757787 /nfs/dbraw/zinc/75/77/87/694757787.db2.gz ULTTZZWHEUAUOQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001073741839 694775661 /nfs/dbraw/zinc/77/56/61/694775661.db2.gz YDSSLMCKMPFXPF-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073741839 694775662 /nfs/dbraw/zinc/77/56/62/694775662.db2.gz YDSSLMCKMPFXPF-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073741839 694775663 /nfs/dbraw/zinc/77/56/63/694775663.db2.gz YDSSLMCKMPFXPF-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073741839 694775664 /nfs/dbraw/zinc/77/56/64/694775664.db2.gz YDSSLMCKMPFXPF-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC=C)CCCO2)CC1 ZINC001073898925 694798689 /nfs/dbraw/zinc/79/86/89/694798689.db2.gz GQBRUGWQNRXOAB-QGZVFWFLSA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001074757109 694920923 /nfs/dbraw/zinc/92/09/23/694920923.db2.gz ITUFQNVFGVHHHQ-JOYVLCIYSA-N 2 1 303.406 0.062 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076361764 695016701 /nfs/dbraw/zinc/01/67/01/695016701.db2.gz KPSVAVBIRXUBHX-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076361764 695016702 /nfs/dbraw/zinc/01/67/02/695016702.db2.gz KPSVAVBIRXUBHX-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407380 695020232 /nfs/dbraw/zinc/02/02/32/695020232.db2.gz BNQHZVVAYKLRKK-DOTOQJQBSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001570439836 1162520191 /nfs/dbraw/zinc/52/01/91/1162520191.db2.gz GAGFJNNZMAZMPG-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001570439836 1162520197 /nfs/dbraw/zinc/52/01/97/1162520197.db2.gz GAGFJNNZMAZMPG-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001570715419 1162594311 /nfs/dbraw/zinc/59/43/11/1162594311.db2.gz CKDLAPASXKSUMB-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001570715419 1162594320 /nfs/dbraw/zinc/59/43/20/1162594320.db2.gz CKDLAPASXKSUMB-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001570752276 1162611909 /nfs/dbraw/zinc/61/19/09/1162611909.db2.gz WDDFXZBLKHBDOU-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCn1cccn1 ZINC001571390865 1162729661 /nfs/dbraw/zinc/72/96/61/1162729661.db2.gz PKFKRQFGKSMHTM-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCn1cccn1 ZINC001571390865 1162729666 /nfs/dbraw/zinc/72/96/66/1162729666.db2.gz PKFKRQFGKSMHTM-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001571588656 1162833022 /nfs/dbraw/zinc/83/30/22/1162833022.db2.gz HQUVKJNCTWEHHO-DZGCQCFKSA-N 2 1 306.410 0.349 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001571606748 1162858255 /nfs/dbraw/zinc/85/82/55/1162858255.db2.gz UQMKQCORBVIYSR-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001571609179 1162859172 /nfs/dbraw/zinc/85/91/72/1162859172.db2.gz YACGOHUAAKBXLA-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001691232288 1157616920 /nfs/dbraw/zinc/61/69/20/1157616920.db2.gz VCAPAVQOZUJEKO-BBWFWOEESA-N 2 1 301.434 0.982 20 30 DCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001691232288 1157616923 /nfs/dbraw/zinc/61/69/23/1157616923.db2.gz VCAPAVQOZUJEKO-BBWFWOEESA-N 2 1 301.434 0.982 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CN1CCOCC1 ZINC001755200439 1158010630 /nfs/dbraw/zinc/01/06/30/1158010630.db2.gz KQQZILVYAIDHBN-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001755200439 1158010639 /nfs/dbraw/zinc/01/06/39/1158010639.db2.gz KQQZILVYAIDHBN-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001755200439 1158010644 /nfs/dbraw/zinc/01/06/44/1158010644.db2.gz KQQZILVYAIDHBN-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001752843269 1158317915 /nfs/dbraw/zinc/31/79/15/1158317915.db2.gz AFSQMDCLQQPYQC-AALSBFMBSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001752843269 1158317917 /nfs/dbraw/zinc/31/79/17/1158317917.db2.gz AFSQMDCLQQPYQC-AALSBFMBSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001752843269 1158317923 /nfs/dbraw/zinc/31/79/23/1158317923.db2.gz AFSQMDCLQQPYQC-AALSBFMBSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001752843269 1158317928 /nfs/dbraw/zinc/31/79/28/1158317928.db2.gz AFSQMDCLQQPYQC-AALSBFMBSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001752843269 1158317935 /nfs/dbraw/zinc/31/79/35/1158317935.db2.gz AFSQMDCLQQPYQC-AALSBFMBSA-N 2 1 307.438 0.718 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001566033542 1159950337 /nfs/dbraw/zinc/95/03/37/1159950337.db2.gz WSPVKJBEJHIRPE-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001566033542 1159950340 /nfs/dbraw/zinc/95/03/40/1159950340.db2.gz WSPVKJBEJHIRPE-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001566033542 1159950345 /nfs/dbraw/zinc/95/03/45/1159950345.db2.gz WSPVKJBEJHIRPE-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566921239 1160185896 /nfs/dbraw/zinc/18/58/96/1160185896.db2.gz JPWPQLKXHQZYTJ-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566921239 1160185900 /nfs/dbraw/zinc/18/59/00/1160185900.db2.gz JPWPQLKXHQZYTJ-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001566921239 1160185905 /nfs/dbraw/zinc/18/59/05/1160185905.db2.gz JPWPQLKXHQZYTJ-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566921239 1160185906 /nfs/dbraw/zinc/18/59/06/1160185906.db2.gz JPWPQLKXHQZYTJ-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC#CC)C2CC2)CC1 ZINC001567456146 1160372961 /nfs/dbraw/zinc/37/29/61/1160372961.db2.gz QHXXUFGMKQQYKU-UHFFFAOYSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001568193748 1160595249 /nfs/dbraw/zinc/59/52/49/1160595249.db2.gz JWODQYKMGOJKOQ-CYBMUJFWSA-N 2 1 304.394 0.859 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC#CC)CC1 ZINC001569596403 1161161666 /nfs/dbraw/zinc/16/16/66/1161161666.db2.gz ZHIZUBYFKHQMHI-MRXNPFEDSA-N 2 1 301.434 0.888 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001569751043 1161222212 /nfs/dbraw/zinc/22/22/12/1161222212.db2.gz JMHAHJLTDOYGLG-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001569751043 1161222215 /nfs/dbraw/zinc/22/22/15/1161222215.db2.gz JMHAHJLTDOYGLG-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001569751043 1161222219 /nfs/dbraw/zinc/22/22/19/1161222219.db2.gz JMHAHJLTDOYGLG-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001569791798 1161250801 /nfs/dbraw/zinc/25/08/01/1161250801.db2.gz REDCSICPDVIQRC-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001569791798 1161250807 /nfs/dbraw/zinc/25/08/07/1161250807.db2.gz REDCSICPDVIQRC-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001569889136 1161295889 /nfs/dbraw/zinc/29/58/89/1161295889.db2.gz XAQYVZKSEVDWCK-INIZCTEOSA-N 2 1 320.481 0.522 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC001574937511 1163807543 /nfs/dbraw/zinc/80/75/43/1163807543.db2.gz YSURLVHFRRTZTL-KBPBESRZSA-N 2 1 304.398 0.161 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC001574937511 1163807550 /nfs/dbraw/zinc/80/75/50/1163807550.db2.gz YSURLVHFRRTZTL-KBPBESRZSA-N 2 1 304.398 0.161 20 30 DCEDMP C[C@@H](CNC(=O)NCC#CC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001636495581 1171739638 /nfs/dbraw/zinc/73/96/38/1171739638.db2.gz NZSLOMHSCHHBTP-SOUVJXGZSA-N 2 1 310.442 0.348 20 30 DCEDMP C[C@@H](CNC(=O)NCC#CC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001636495581 1171739644 /nfs/dbraw/zinc/73/96/44/1171739644.db2.gz NZSLOMHSCHHBTP-SOUVJXGZSA-N 2 1 310.442 0.348 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC(C)C)C2)CC1 ZINC001661045635 1174092052 /nfs/dbraw/zinc/09/20/52/1174092052.db2.gz PQQXCDBYVBOYFJ-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001661809419 1174159291 /nfs/dbraw/zinc/15/92/91/1174159291.db2.gz WNELEIJTDWFMGH-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001663184808 1174275105 /nfs/dbraw/zinc/27/51/05/1174275105.db2.gz CUVYYDBPGFCQNC-HZSPNIEDSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001663184808 1174275111 /nfs/dbraw/zinc/27/51/11/1174275111.db2.gz CUVYYDBPGFCQNC-HZSPNIEDSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663184808 1174275115 /nfs/dbraw/zinc/27/51/15/1174275115.db2.gz CUVYYDBPGFCQNC-HZSPNIEDSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001663184808 1174275119 /nfs/dbraw/zinc/27/51/19/1174275119.db2.gz CUVYYDBPGFCQNC-HZSPNIEDSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001663275986 1174283374 /nfs/dbraw/zinc/28/33/74/1174283374.db2.gz BKAOEGFCFFBVTK-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001663275986 1174283379 /nfs/dbraw/zinc/28/33/79/1174283379.db2.gz BKAOEGFCFFBVTK-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1=O ZINC001663275986 1174283385 /nfs/dbraw/zinc/28/33/85/1174283385.db2.gz BKAOEGFCFFBVTK-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1=O ZINC001663275986 1174283396 /nfs/dbraw/zinc/28/33/96/1174283396.db2.gz BKAOEGFCFFBVTK-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665001021 1174473141 /nfs/dbraw/zinc/47/31/41/1174473141.db2.gz INBZEFQPKMCOSK-RBSFLKMASA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665001021 1174473144 /nfs/dbraw/zinc/47/31/44/1174473144.db2.gz INBZEFQPKMCOSK-RBSFLKMASA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCCCO1 ZINC001668869071 1174853398 /nfs/dbraw/zinc/85/33/98/1174853398.db2.gz VOINXXDIYMZFDQ-UIZHIOIMSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCCCO1 ZINC001668869071 1174853403 /nfs/dbraw/zinc/85/34/03/1174853403.db2.gz VOINXXDIYMZFDQ-UIZHIOIMSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccnn1C ZINC001668869261 1174853654 /nfs/dbraw/zinc/85/36/54/1174853654.db2.gz ZLJUUBGCOAXVHY-APHBUQMISA-N 2 1 315.421 0.280 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccnn1C ZINC001668869261 1174853658 /nfs/dbraw/zinc/85/36/58/1174853658.db2.gz ZLJUUBGCOAXVHY-APHBUQMISA-N 2 1 315.421 0.280 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001671604481 1175021172 /nfs/dbraw/zinc/02/11/72/1175021172.db2.gz ZSUHODSMSBTUKH-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001671603432 1175021757 /nfs/dbraw/zinc/02/17/57/1175021757.db2.gz QHRRBQCEPWNPGH-MRXNPFEDSA-N 2 1 318.465 0.180 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001671603834 1175021922 /nfs/dbraw/zinc/02/19/22/1175021922.db2.gz UHPGHMAKZYIGTJ-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001672468472 1175110388 /nfs/dbraw/zinc/11/03/88/1175110388.db2.gz RJGPAINYEFWMAL-UHFFFAOYSA-N 2 1 308.470 0.520 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001672485942 1175114357 /nfs/dbraw/zinc/11/43/57/1175114357.db2.gz AOCCXGPZAXDOCJ-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001672485942 1175114362 /nfs/dbraw/zinc/11/43/62/1175114362.db2.gz AOCCXGPZAXDOCJ-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001672485942 1175114366 /nfs/dbraw/zinc/11/43/66/1175114366.db2.gz AOCCXGPZAXDOCJ-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001672485942 1175114372 /nfs/dbraw/zinc/11/43/72/1175114372.db2.gz AOCCXGPZAXDOCJ-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001672487398 1175115116 /nfs/dbraw/zinc/11/51/16/1175115116.db2.gz TUORZUNUOXEEEF-FUHWJXTLSA-N 2 1 321.465 0.847 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001675708810 1175387026 /nfs/dbraw/zinc/38/70/26/1175387026.db2.gz ZVJNTIXGOYHRTH-JKSUJKDBSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001690584853 1177276167 /nfs/dbraw/zinc/27/61/67/1177276167.db2.gz UTWUJJRFOMSBOT-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cc(C)on2)CC1 ZINC001690651038 1177294969 /nfs/dbraw/zinc/29/49/69/1177294969.db2.gz WVNKKPFZOFBFFR-CYBMUJFWSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2nccn2C)CC1 ZINC001690649975 1177295119 /nfs/dbraw/zinc/29/51/19/1177295119.db2.gz BYNBKTORDNLUEL-AWEZNQCLSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001691937231 1177386906 /nfs/dbraw/zinc/38/69/06/1177386906.db2.gz ITCQKLWRMJGQFP-UHFFFAOYSA-N 2 1 318.465 0.324 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001692036662 1177406207 /nfs/dbraw/zinc/40/62/07/1177406207.db2.gz NPFQMSOIXGMNLN-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001692036662 1177406209 /nfs/dbraw/zinc/40/62/09/1177406209.db2.gz NPFQMSOIXGMNLN-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001692036662 1177406215 /nfs/dbraw/zinc/40/62/15/1177406215.db2.gz NPFQMSOIXGMNLN-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001692115849 1177419377 /nfs/dbraw/zinc/41/93/77/1177419377.db2.gz SEXALYDTCMBNBJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001692115849 1177419380 /nfs/dbraw/zinc/41/93/80/1177419380.db2.gz SEXALYDTCMBNBJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)C1=O ZINC001698568062 1177562440 /nfs/dbraw/zinc/56/24/40/1177562440.db2.gz AJRPAFQEZXMITA-GJZGRUSLSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)C1=O ZINC001698568062 1177562446 /nfs/dbraw/zinc/56/24/46/1177562446.db2.gz AJRPAFQEZXMITA-GJZGRUSLSA-N 2 1 322.453 0.258 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)NC(C)C ZINC001699186972 1177925079 /nfs/dbraw/zinc/92/50/79/1177925079.db2.gz WLLGOYDJPUNUGR-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)NC(C)C ZINC001699186972 1177925083 /nfs/dbraw/zinc/92/50/83/1177925083.db2.gz WLLGOYDJPUNUGR-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001699398366 1178119268 /nfs/dbraw/zinc/11/92/68/1178119268.db2.gz RIPJSSCGJCREEV-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001699593992 1178210002 /nfs/dbraw/zinc/21/00/02/1178210002.db2.gz UWAMDZVBOURLDA-ZBFHGGJFSA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699702178 1178256273 /nfs/dbraw/zinc/25/62/73/1178256273.db2.gz SJKXANVOYHBLLD-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001699880931 1178329739 /nfs/dbraw/zinc/32/97/39/1178329739.db2.gz SEYKDOVZUNKBLB-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001699989978 1178408565 /nfs/dbraw/zinc/40/85/65/1178408565.db2.gz RVFBLXAKQHUJAV-SOUVJXGZSA-N 2 1 322.453 0.019 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001700041549 1178456329 /nfs/dbraw/zinc/45/63/29/1178456329.db2.gz VKQDSDDMHLDMHB-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCO)CC1 ZINC001700220769 1178539586 /nfs/dbraw/zinc/53/95/86/1178539586.db2.gz SWTLFAKKHFBMFW-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCO)CC1 ZINC001700220769 1178539596 /nfs/dbraw/zinc/53/95/96/1178539596.db2.gz SWTLFAKKHFBMFW-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001700366289 1178598052 /nfs/dbraw/zinc/59/80/52/1178598052.db2.gz UJEFOLUENCXKIZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001700366289 1178598057 /nfs/dbraw/zinc/59/80/57/1178598057.db2.gz UJEFOLUENCXKIZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001700366289 1178598063 /nfs/dbraw/zinc/59/80/63/1178598063.db2.gz UJEFOLUENCXKIZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001700366289 1178598066 /nfs/dbraw/zinc/59/80/66/1178598066.db2.gz UJEFOLUENCXKIZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001700980590 1178858548 /nfs/dbraw/zinc/85/85/48/1178858548.db2.gz MAWSEENVHSEFFS-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[NH+](C)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001700980590 1178858561 /nfs/dbraw/zinc/85/85/61/1178858561.db2.gz MAWSEENVHSEFFS-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[N@@H+](C)CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001700980590 1178858573 /nfs/dbraw/zinc/85/85/73/1178858573.db2.gz MAWSEENVHSEFFS-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[N@H+](C)CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001700980590 1178858584 /nfs/dbraw/zinc/85/85/84/1178858584.db2.gz MAWSEENVHSEFFS-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001701047396 1178905463 /nfs/dbraw/zinc/90/54/63/1178905463.db2.gz XRQYWFHLQZKKKS-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001701047396 1178905465 /nfs/dbraw/zinc/90/54/65/1178905465.db2.gz XRQYWFHLQZKKKS-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001701047396 1178905470 /nfs/dbraw/zinc/90/54/70/1178905470.db2.gz XRQYWFHLQZKKKS-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001713149332 1180697680 /nfs/dbraw/zinc/69/76/80/1180697680.db2.gz OXGOAXOGZDIMDO-KKUMJFAQSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001713182549 1180709557 /nfs/dbraw/zinc/70/95/57/1180709557.db2.gz OOBFUSRAPIEVRH-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001713182548 1180710131 /nfs/dbraw/zinc/71/01/31/1180710131.db2.gz OOBFUSRAPIEVRH-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001713220694 1180725597 /nfs/dbraw/zinc/72/55/97/1180725597.db2.gz PZDVXZBMQBNKRN-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CCOC)C2)CC1 ZINC001713401169 1180799864 /nfs/dbraw/zinc/79/98/64/1180799864.db2.gz OOGITEJFYIKVAJ-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001713456147 1180833492 /nfs/dbraw/zinc/83/34/92/1180833492.db2.gz FEQPQNLVUDCOJN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001713456147 1180833501 /nfs/dbraw/zinc/83/35/01/1180833501.db2.gz FEQPQNLVUDCOJN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001713456147 1180833516 /nfs/dbraw/zinc/83/35/16/1180833516.db2.gz FEQPQNLVUDCOJN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001713456147 1180833528 /nfs/dbraw/zinc/83/35/28/1180833528.db2.gz FEQPQNLVUDCOJN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001713989208 1181186041 /nfs/dbraw/zinc/18/60/41/1181186041.db2.gz QMPBGAKMVAPZFB-ZNMIVQPWSA-N 2 1 322.453 0.400 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001714015725 1181203208 /nfs/dbraw/zinc/20/32/08/1181203208.db2.gz NAHXTBIIVDMVHX-ZNMIVQPWSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001714175861 1181273136 /nfs/dbraw/zinc/27/31/36/1181273136.db2.gz BCPNTSYZULNUKJ-KRWDZBQOSA-N 2 1 318.421 0.716 20 30 DCEDMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001714447990 1181367722 /nfs/dbraw/zinc/36/77/22/1181367722.db2.gz KXZDBPPOMUXBOI-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001714447990 1181367728 /nfs/dbraw/zinc/36/77/28/1181367728.db2.gz KXZDBPPOMUXBOI-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001715008953 1181644755 /nfs/dbraw/zinc/64/47/55/1181644755.db2.gz GDYGXXOWRKZAMV-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001715128168 1181696351 /nfs/dbraw/zinc/69/63/51/1181696351.db2.gz WBFSLXXFQFUOMF-RHSMWYFYSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001715195265 1181713435 /nfs/dbraw/zinc/71/34/35/1181713435.db2.gz UNPQTWJGEGPCDK-QGZVFWFLSA-N 2 1 315.417 0.746 20 30 DCEDMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001715195265 1181713441 /nfs/dbraw/zinc/71/34/41/1181713441.db2.gz UNPQTWJGEGPCDK-QGZVFWFLSA-N 2 1 315.417 0.746 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001715774429 1181988598 /nfs/dbraw/zinc/98/85/98/1181988598.db2.gz WEWJJXALPLCRKF-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001715959655 1182119572 /nfs/dbraw/zinc/11/95/72/1182119572.db2.gz OHHNJWWCWOUPKW-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001715959655 1182119574 /nfs/dbraw/zinc/11/95/74/1182119574.db2.gz OHHNJWWCWOUPKW-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001715959655 1182119576 /nfs/dbraw/zinc/11/95/76/1182119576.db2.gz OHHNJWWCWOUPKW-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715959655 1182119578 /nfs/dbraw/zinc/11/95/78/1182119578.db2.gz OHHNJWWCWOUPKW-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC#CCOC)C1CC1 ZINC001716632007 1182470871 /nfs/dbraw/zinc/47/08/71/1182470871.db2.gz SLVZTRZJQRPSTN-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001716850881 1182549458 /nfs/dbraw/zinc/54/94/58/1182549458.db2.gz IFZOEPHRPPUKQN-KRWDZBQOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001716918523 1182572023 /nfs/dbraw/zinc/57/20/23/1182572023.db2.gz HTJQIWOOCGUSPI-SJLPKXTDSA-N 2 1 321.465 0.847 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001716921005 1182576316 /nfs/dbraw/zinc/57/63/16/1182576316.db2.gz IJPOOSRGQDWJSA-INIZCTEOSA-N 2 1 307.438 0.744 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001716991426 1182614006 /nfs/dbraw/zinc/61/40/06/1182614006.db2.gz ABEDCYSRKYXCGV-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001717250549 1182748287 /nfs/dbraw/zinc/74/82/87/1182748287.db2.gz RJRHCMVFAJYMDQ-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001717337487 1182790229 /nfs/dbraw/zinc/79/02/29/1182790229.db2.gz LCQBPAKUKPRBKN-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001724049828 1184372840 /nfs/dbraw/zinc/37/28/40/1184372840.db2.gz HNTWYEBGKZTKPX-HNNXBMFYSA-N 2 1 318.421 0.499 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@H+](C(C)C)C2)CC1 ZINC001724640188 1184489558 /nfs/dbraw/zinc/48/95/58/1184489558.db2.gz CWPCPNFMMAHSNM-SFHVURJKSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@@H](C)COC ZINC001724854771 1184593425 /nfs/dbraw/zinc/59/34/25/1184593425.db2.gz ZMOAPUTXTWNDOX-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@@H](C)COC ZINC001724854771 1184593431 /nfs/dbraw/zinc/59/34/31/1184593431.db2.gz ZMOAPUTXTWNDOX-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@@H](C)COC ZINC001724854771 1184593439 /nfs/dbraw/zinc/59/34/39/1184593439.db2.gz ZMOAPUTXTWNDOX-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@@H](C)COC ZINC001724854771 1184593449 /nfs/dbraw/zinc/59/34/49/1184593449.db2.gz ZMOAPUTXTWNDOX-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCOCC1 ZINC001724918263 1184620223 /nfs/dbraw/zinc/62/02/23/1184620223.db2.gz FOLXANRANNEUNO-JKSUJKDBSA-N 2 1 319.449 0.892 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001724973363 1184639157 /nfs/dbraw/zinc/63/91/57/1184639157.db2.gz XATMCXGAZSSMNH-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001725011940 1184655593 /nfs/dbraw/zinc/65/55/93/1184655593.db2.gz GUTZNSMJTCFBED-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[N@H+]1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001725011940 1184655596 /nfs/dbraw/zinc/65/55/96/1184655596.db2.gz GUTZNSMJTCFBED-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001725016625 1184657604 /nfs/dbraw/zinc/65/76/04/1184657604.db2.gz FPKQSQZIQVQACB-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001725051171 1184669540 /nfs/dbraw/zinc/66/95/40/1184669540.db2.gz CGSIPGZMLYAKMC-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001725537256 1184868944 /nfs/dbraw/zinc/86/89/44/1184868944.db2.gz ASZPHWLVMVZONX-IUODEOHRSA-N 2 1 301.406 0.452 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725552881 1184880618 /nfs/dbraw/zinc/88/06/18/1184880618.db2.gz QPNQMZVZRQCAJJ-JKSUJKDBSA-N 2 1 303.406 0.379 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001725675778 1184936136 /nfs/dbraw/zinc/93/61/36/1184936136.db2.gz SRSAYCKRLAVYFG-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001725805712 1185001835 /nfs/dbraw/zinc/00/18/35/1185001835.db2.gz VIVJEJZPHDOZLP-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001731323709 1185268296 /nfs/dbraw/zinc/26/82/96/1185268296.db2.gz GUZYJLSNMXGFQQ-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001731860086 1185534736 /nfs/dbraw/zinc/53/47/36/1185534736.db2.gz IEFRHCBABBWBNX-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001732126695 1185686227 /nfs/dbraw/zinc/68/62/27/1185686227.db2.gz GUOPUGDYDMHQOI-INIZCTEOSA-N 2 1 305.422 0.026 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCCOC1 ZINC001732858505 1186018307 /nfs/dbraw/zinc/01/83/07/1186018307.db2.gz DVPZVMUYNZXALU-DSLCMKTCSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCCOC1 ZINC001732858505 1186018312 /nfs/dbraw/zinc/01/83/12/1186018312.db2.gz DVPZVMUYNZXALU-DSLCMKTCSA-N 2 1 319.449 0.773 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001733041889 1186116608 /nfs/dbraw/zinc/11/66/08/1186116608.db2.gz JOKIXLZSGNNJKY-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCCO)CC1 ZINC001733370354 1186243197 /nfs/dbraw/zinc/24/31/97/1186243197.db2.gz IBYNJFQWMWTVDJ-NVXWUHKLSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001733376078 1186246057 /nfs/dbraw/zinc/24/60/57/1186246057.db2.gz XXQCIJCNIWFDLW-HOTGVXAUSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001733599966 1186357334 /nfs/dbraw/zinc/35/73/34/1186357334.db2.gz FQMFIRVWVJVLFA-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH2+]CC1CC(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001733955286 1186508040 /nfs/dbraw/zinc/50/80/40/1186508040.db2.gz WKAZMNYXECFMPN-UHFFFAOYSA-N 2 1 321.465 0.997 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC#CCOC ZINC001734039973 1186528648 /nfs/dbraw/zinc/52/86/48/1186528648.db2.gz VDMXHFRHLPNFPZ-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC#CCOC ZINC001734039973 1186528654 /nfs/dbraw/zinc/52/86/54/1186528654.db2.gz VDMXHFRHLPNFPZ-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC#CCOC ZINC001734039973 1186528657 /nfs/dbraw/zinc/52/86/57/1186528657.db2.gz VDMXHFRHLPNFPZ-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+]1CC=C(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001734632568 1186712822 /nfs/dbraw/zinc/71/28/22/1186712822.db2.gz LFSITQGVASZDKT-UHFFFAOYSA-N 2 1 305.422 0.480 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001734632568 1186712826 /nfs/dbraw/zinc/71/28/26/1186712826.db2.gz LFSITQGVASZDKT-UHFFFAOYSA-N 2 1 305.422 0.480 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCOC)C1 ZINC001753439392 1188597152 /nfs/dbraw/zinc/59/71/52/1188597152.db2.gz MTXORYATKFMJMV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001753439392 1188597156 /nfs/dbraw/zinc/59/71/56/1188597156.db2.gz MTXORYATKFMJMV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCOC)C1 ZINC001753439392 1188597159 /nfs/dbraw/zinc/59/71/59/1188597159.db2.gz MTXORYATKFMJMV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCOC)C1 ZINC001753439392 1188597162 /nfs/dbraw/zinc/59/71/62/1188597162.db2.gz MTXORYATKFMJMV-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001753458259 1188603296 /nfs/dbraw/zinc/60/32/96/1188603296.db2.gz CMPYGCXTRLXTPD-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001753458259 1188603299 /nfs/dbraw/zinc/60/32/99/1188603299.db2.gz CMPYGCXTRLXTPD-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001753458259 1188603302 /nfs/dbraw/zinc/60/33/02/1188603302.db2.gz CMPYGCXTRLXTPD-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001753458259 1188603304 /nfs/dbraw/zinc/60/33/04/1188603304.db2.gz CMPYGCXTRLXTPD-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001753865618 1188668294 /nfs/dbraw/zinc/66/82/94/1188668294.db2.gz YAFCJKCHIYZSHO-UHFFFAOYSA-N 2 1 305.426 0.472 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001754488081 1188864885 /nfs/dbraw/zinc/86/48/85/1188864885.db2.gz WIGRRXQXQKKQIQ-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001754595747 1188886484 /nfs/dbraw/zinc/88/64/84/1188886484.db2.gz BCVVOKFMHQFVRZ-HOCLYGCPSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001754874514 1188956203 /nfs/dbraw/zinc/95/62/03/1188956203.db2.gz BCIHCHZGWCQMEQ-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001754874514 1188956204 /nfs/dbraw/zinc/95/62/04/1188956204.db2.gz BCIHCHZGWCQMEQ-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001754874514 1188956206 /nfs/dbraw/zinc/95/62/06/1188956206.db2.gz BCIHCHZGWCQMEQ-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP CCC1([NH2+]CC#CCOC)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755073527 1189013721 /nfs/dbraw/zinc/01/37/21/1189013721.db2.gz XMZWGIGLFVSAMS-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001755535426 1189139622 /nfs/dbraw/zinc/13/96/22/1189139622.db2.gz JFHBICNPTPAZHB-UHFFFAOYSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001755705080 1189189829 /nfs/dbraw/zinc/18/98/29/1189189829.db2.gz UMEWKFBEKPSTQJ-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001755705080 1189189832 /nfs/dbraw/zinc/18/98/32/1189189832.db2.gz UMEWKFBEKPSTQJ-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001755705080 1189189835 /nfs/dbraw/zinc/18/98/35/1189189835.db2.gz UMEWKFBEKPSTQJ-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001755746444 1189200307 /nfs/dbraw/zinc/20/03/07/1189200307.db2.gz NFWDPNIJSYECLN-IAGOWNOFSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCNC(=O)CC[NH+](C)C ZINC001577348224 1164674934 /nfs/dbraw/zinc/67/49/34/1164674934.db2.gz KQTICCWODKHONU-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCNC(=O)CC[NH+](C)C ZINC001577348224 1164674939 /nfs/dbraw/zinc/67/49/39/1164674939.db2.gz KQTICCWODKHONU-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046989194 751353658 /nfs/dbraw/zinc/35/36/58/751353658.db2.gz TUFYCHANOIAPCZ-ZDUSSCGKSA-N 2 1 311.376 0.789 20 30 DCEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046989194 751353665 /nfs/dbraw/zinc/35/36/65/751353665.db2.gz TUFYCHANOIAPCZ-ZDUSSCGKSA-N 2 1 311.376 0.789 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]21 ZINC001042367105 751603315 /nfs/dbraw/zinc/60/33/15/751603315.db2.gz AWTBXIBASDWUCH-SJLPKXTDSA-N 2 1 313.445 0.888 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)[C@@H](O)C1 ZINC001083780518 751735797 /nfs/dbraw/zinc/73/57/97/751735797.db2.gz AYNBEHLPFKNSJS-YUELXQCFSA-N 2 1 304.394 0.101 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)[C@@H](O)C1 ZINC001083780518 751735801 /nfs/dbraw/zinc/73/58/01/751735801.db2.gz AYNBEHLPFKNSJS-YUELXQCFSA-N 2 1 304.394 0.101 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO)C1 ZINC001104305942 747171739 /nfs/dbraw/zinc/17/17/39/747171739.db2.gz AZFZKIMUGYAZES-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO)C1 ZINC001104305942 747171742 /nfs/dbraw/zinc/17/17/42/747171742.db2.gz AZFZKIMUGYAZES-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001105262383 748089230 /nfs/dbraw/zinc/08/92/30/748089230.db2.gz ZFVVREBUOLIXHG-UHFFFAOYSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105262383 748089239 /nfs/dbraw/zinc/08/92/39/748089239.db2.gz ZFVVREBUOLIXHG-UHFFFAOYSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326818 748136541 /nfs/dbraw/zinc/13/65/41/748136541.db2.gz HISNDCBLIUJBHT-IUODEOHRSA-N 2 1 318.425 0.135 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326818 748136545 /nfs/dbraw/zinc/13/65/45/748136545.db2.gz HISNDCBLIUJBHT-IUODEOHRSA-N 2 1 318.425 0.135 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC#CCOC)CC1 ZINC001167814759 748368320 /nfs/dbraw/zinc/36/83/20/748368320.db2.gz CRRUSUYRDWQRDU-UHFFFAOYSA-N 2 1 309.454 0.854 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920043 749133706 /nfs/dbraw/zinc/13/37/06/749133706.db2.gz CMQHRRXAZWFNCM-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920043 749133708 /nfs/dbraw/zinc/13/37/08/749133708.db2.gz CMQHRRXAZWFNCM-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920043 749133711 /nfs/dbraw/zinc/13/37/11/749133711.db2.gz CMQHRRXAZWFNCM-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920043 749133715 /nfs/dbraw/zinc/13/37/15/749133715.db2.gz CMQHRRXAZWFNCM-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]2C1 ZINC001088140607 749253240 /nfs/dbraw/zinc/25/32/40/749253240.db2.gz VCSHVGBCLATXRS-CVEARBPZSA-N 2 1 305.422 0.122 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140607 749253246 /nfs/dbraw/zinc/25/32/46/749253246.db2.gz VCSHVGBCLATXRS-CVEARBPZSA-N 2 1 305.422 0.122 20 30 DCEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001112867882 761984004 /nfs/dbraw/zinc/98/40/04/761984004.db2.gz CKKFLLXQOXTOKU-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083505950 750055031 /nfs/dbraw/zinc/05/50/31/750055031.db2.gz KAAQSAKSHIOICM-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505950 750055038 /nfs/dbraw/zinc/05/50/38/750055038.db2.gz KAAQSAKSHIOICM-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505950 750055045 /nfs/dbraw/zinc/05/50/45/750055045.db2.gz KAAQSAKSHIOICM-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCc3nccn32)[C@@H](O)C1 ZINC001083522510 750092580 /nfs/dbraw/zinc/09/25/80/750092580.db2.gz KFBNGJBNENDCSH-MCIONIFRSA-N 2 1 304.394 0.498 20 30 DCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974190 750612449 /nfs/dbraw/zinc/61/24/49/750612449.db2.gz QBRNTKJBLKIRGT-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974190 750612451 /nfs/dbraw/zinc/61/24/51/750612451.db2.gz QBRNTKJBLKIRGT-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089350264 751274052 /nfs/dbraw/zinc/27/40/52/751274052.db2.gz GNKPNIKSQSAELN-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089350264 751274054 /nfs/dbraw/zinc/27/40/54/751274054.db2.gz GNKPNIKSQSAELN-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350264 751274058 /nfs/dbraw/zinc/27/40/58/751274058.db2.gz GNKPNIKSQSAELN-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350264 751274060 /nfs/dbraw/zinc/27/40/60/751274060.db2.gz GNKPNIKSQSAELN-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108032593 753080936 /nfs/dbraw/zinc/08/09/36/753080936.db2.gz BUMDYVWQXJGWHR-QGZVFWFLSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108032593 753080940 /nfs/dbraw/zinc/08/09/40/753080940.db2.gz BUMDYVWQXJGWHR-QGZVFWFLSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108032593 753080945 /nfs/dbraw/zinc/08/09/45/753080945.db2.gz BUMDYVWQXJGWHR-QGZVFWFLSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108032593 753080949 /nfs/dbraw/zinc/08/09/49/753080949.db2.gz BUMDYVWQXJGWHR-QGZVFWFLSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001078666592 753334281 /nfs/dbraw/zinc/33/42/81/753334281.db2.gz WWOFMJBHWISMGF-HUUCEWRRSA-N 2 1 316.405 1.000 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083832457 753960225 /nfs/dbraw/zinc/96/02/25/753960225.db2.gz IAVOMPQKZOMAMA-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832457 753960231 /nfs/dbraw/zinc/96/02/31/753960231.db2.gz IAVOMPQKZOMAMA-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832457 753960236 /nfs/dbraw/zinc/96/02/36/753960236.db2.gz IAVOMPQKZOMAMA-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832457 753960242 /nfs/dbraw/zinc/96/02/42/753960242.db2.gz IAVOMPQKZOMAMA-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001047501886 754338993 /nfs/dbraw/zinc/33/89/93/754338993.db2.gz HNZCIVFBMJQKNG-KBMXLJTQSA-N 2 1 318.421 0.443 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001047501886 754338998 /nfs/dbraw/zinc/33/89/98/754338998.db2.gz HNZCIVFBMJQKNG-KBMXLJTQSA-N 2 1 318.421 0.443 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047525769 754359025 /nfs/dbraw/zinc/35/90/25/754359025.db2.gz TUSAHOFZYFYPDT-GJZGRUSLSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047525769 754359032 /nfs/dbraw/zinc/35/90/32/754359032.db2.gz TUSAHOFZYFYPDT-GJZGRUSLSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047525769 754359039 /nfs/dbraw/zinc/35/90/39/754359039.db2.gz TUSAHOFZYFYPDT-GJZGRUSLSA-N 2 1 309.454 0.798 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553640 754386471 /nfs/dbraw/zinc/38/64/71/754386471.db2.gz PJJHZVLBHCOMDY-HOTGVXAUSA-N 2 1 307.438 0.245 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216158 755187568 /nfs/dbraw/zinc/18/75/68/755187568.db2.gz VUHBRDIZNCEPPI-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccncc1C#N)C2 ZINC000903494479 755234137 /nfs/dbraw/zinc/23/41/37/755234137.db2.gz FVZMBTSDYMZLKL-LZWOXQAQSA-N 2 1 300.362 0.666 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353995 755662284 /nfs/dbraw/zinc/66/22/84/755662284.db2.gz HHOQTBYWOHWGTI-HUUCEWRRSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353995 755662286 /nfs/dbraw/zinc/66/22/86/755662286.db2.gz HHOQTBYWOHWGTI-HUUCEWRRSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)O)CC2)CC1 ZINC001052957031 755885597 /nfs/dbraw/zinc/88/55/97/755885597.db2.gz CJBFVOUOIGDHRA-NVXWUHKLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC[NH+](C)CC1)O2 ZINC001053655046 756135712 /nfs/dbraw/zinc/13/57/12/756135712.db2.gz CJVRTVWLLYDAQB-MRXNPFEDSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)O2 ZINC001053698875 756151820 /nfs/dbraw/zinc/15/18/20/756151820.db2.gz XJIIMAZNQZCCOG-HUUCEWRRSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001053698875 756151826 /nfs/dbraw/zinc/15/18/26/756151826.db2.gz XJIIMAZNQZCCOG-HUUCEWRRSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](C(C)C)C3)C2)CC1 ZINC001054015708 756334304 /nfs/dbraw/zinc/33/43/04/756334304.db2.gz NIHKNVNIBWEYCU-MRXNPFEDSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001054147858 756385378 /nfs/dbraw/zinc/38/53/78/756385378.db2.gz ZYYMBNXZYTWNCX-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054147858 756385386 /nfs/dbraw/zinc/38/53/86/756385386.db2.gz ZYYMBNXZYTWNCX-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCO)C2)C1 ZINC001054147858 756385390 /nfs/dbraw/zinc/38/53/90/756385390.db2.gz ZYYMBNXZYTWNCX-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCO)C2)C1 ZINC001054147858 756385396 /nfs/dbraw/zinc/38/53/96/756385396.db2.gz ZYYMBNXZYTWNCX-FUHWJXTLSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001054213972 756407147 /nfs/dbraw/zinc/40/71/47/756407147.db2.gz NJBIRTXNDVPJFR-GOSISDBHSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001054213972 756407149 /nfs/dbraw/zinc/40/71/49/756407149.db2.gz NJBIRTXNDVPJFR-GOSISDBHSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@H]2C)CC1 ZINC001080997904 756417333 /nfs/dbraw/zinc/41/73/33/756417333.db2.gz OMSKGCVQXALTCU-BFYDXBDKSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001082053049 756908417 /nfs/dbraw/zinc/90/84/17/756908417.db2.gz VRCZZOXMUGTCBZ-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082053049 756908420 /nfs/dbraw/zinc/90/84/20/756908420.db2.gz VRCZZOXMUGTCBZ-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053049 756908422 /nfs/dbraw/zinc/90/84/22/756908422.db2.gz VRCZZOXMUGTCBZ-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053049 756908423 /nfs/dbraw/zinc/90/84/23/756908423.db2.gz VRCZZOXMUGTCBZ-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001050207324 757488327 /nfs/dbraw/zinc/48/83/27/757488327.db2.gz ZVHORGKATHHWKM-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001050207324 757488334 /nfs/dbraw/zinc/48/83/34/757488334.db2.gz ZVHORGKATHHWKM-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050207324 757488338 /nfs/dbraw/zinc/48/83/38/757488338.db2.gz ZVHORGKATHHWKM-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050207324 757488342 /nfs/dbraw/zinc/48/83/42/757488342.db2.gz ZVHORGKATHHWKM-BBWFWOEESA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083105922 757499235 /nfs/dbraw/zinc/49/92/35/757499235.db2.gz AIQGTVQRTJPJSG-JKSUJKDBSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083105922 757499239 /nfs/dbraw/zinc/49/92/39/757499239.db2.gz AIQGTVQRTJPJSG-JKSUJKDBSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083105922 757499243 /nfs/dbraw/zinc/49/92/43/757499243.db2.gz AIQGTVQRTJPJSG-JKSUJKDBSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083105922 757499247 /nfs/dbraw/zinc/49/92/47/757499247.db2.gz AIQGTVQRTJPJSG-JKSUJKDBSA-N 2 1 307.438 0.958 20 30 DCEDMP N#CCCN(Cc1cccnc1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157720311 762621334 /nfs/dbraw/zinc/62/13/34/762621334.db2.gz FZCZYZYRVMFTLO-UHFFFAOYSA-N 2 1 301.394 0.665 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098403955 762666880 /nfs/dbraw/zinc/66/68/80/762666880.db2.gz AGXQNGKXIAXOKK-MRXNPFEDSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085601652 759115505 /nfs/dbraw/zinc/11/55/05/759115505.db2.gz CQQASAVKYVVZSV-HNNXBMFYSA-N 2 1 317.437 0.614 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036180 759131534 /nfs/dbraw/zinc/13/15/34/759131534.db2.gz HDLVFJONAHKWJO-IRXDYDNUSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098391738 759217163 /nfs/dbraw/zinc/21/71/63/759217163.db2.gz HLDFWAXUERQXIE-MRXNPFEDSA-N 2 1 309.454 0.798 20 30 DCEDMP C#CCCN1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001108215597 759399783 /nfs/dbraw/zinc/39/97/83/759399783.db2.gz GMYABDYZQJSNOB-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001108215597 759399803 /nfs/dbraw/zinc/39/98/03/759399803.db2.gz GMYABDYZQJSNOB-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001108215597 759399813 /nfs/dbraw/zinc/39/98/13/759399813.db2.gz GMYABDYZQJSNOB-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001108215597 759399833 /nfs/dbraw/zinc/39/98/33/759399833.db2.gz GMYABDYZQJSNOB-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001098408159 759724225 /nfs/dbraw/zinc/72/42/25/759724225.db2.gz GTKJGJVVTINMAN-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098408159 759724228 /nfs/dbraw/zinc/72/42/28/759724228.db2.gz GTKJGJVVTINMAN-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098408159 759724232 /nfs/dbraw/zinc/72/42/32/759724232.db2.gz GTKJGJVVTINMAN-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086178198 759809732 /nfs/dbraw/zinc/80/97/32/759809732.db2.gz WNNBASYUKFSIPE-KFWWJZLASA-N 2 1 300.406 0.872 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001098451112 760305175 /nfs/dbraw/zinc/30/51/75/760305175.db2.gz WEYLCTXTJSJMFZ-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098451112 760305188 /nfs/dbraw/zinc/30/51/88/760305188.db2.gz WEYLCTXTJSJMFZ-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098451112 760305198 /nfs/dbraw/zinc/30/51/98/760305198.db2.gz WEYLCTXTJSJMFZ-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2=O)C1 ZINC001108553373 760848528 /nfs/dbraw/zinc/84/85/28/760848528.db2.gz LMFYZOLQHVUYEG-DZGCQCFKSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070310306 761168041 /nfs/dbraw/zinc/16/80/41/761168041.db2.gz UWMWJQZKBBSUHV-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109733258 761524860 /nfs/dbraw/zinc/52/48/60/761524860.db2.gz KQORMCYLUXOXLE-NCOADZHNSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109733258 761524862 /nfs/dbraw/zinc/52/48/62/761524862.db2.gz KQORMCYLUXOXLE-NCOADZHNSA-N 2 1 319.449 0.842 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547922 762896389 /nfs/dbraw/zinc/89/63/89/762896389.db2.gz NLIWHHBUGFYVOK-NXOAAHMSSA-N 2 1 321.465 0.919 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129532099 762954715 /nfs/dbraw/zinc/95/47/15/762954715.db2.gz RAVHAYSNHQQMBZ-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)cc1 ZINC001129762191 763001830 /nfs/dbraw/zinc/00/18/30/763001830.db2.gz IUBUAHITXDXTKD-KRWDZBQOSA-N 2 1 315.417 0.999 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)cc1 ZINC001129762191 763001839 /nfs/dbraw/zinc/00/18/39/763001839.db2.gz IUBUAHITXDXTKD-KRWDZBQOSA-N 2 1 315.417 0.999 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cncc(C)c1 ZINC001129763326 763002274 /nfs/dbraw/zinc/00/22/74/763002274.db2.gz ZLUXHADVAREWJH-INIZCTEOSA-N 2 1 300.406 0.693 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cncc(C)c1 ZINC001129763326 763002279 /nfs/dbraw/zinc/00/22/79/763002279.db2.gz ZLUXHADVAREWJH-INIZCTEOSA-N 2 1 300.406 0.693 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001129771033 763008481 /nfs/dbraw/zinc/00/84/81/763008481.db2.gz OFJJDPASGFAKMH-QWHCGFSZSA-N 2 1 315.364 0.214 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001129771033 763008489 /nfs/dbraw/zinc/00/84/89/763008489.db2.gz OFJJDPASGFAKMH-QWHCGFSZSA-N 2 1 315.364 0.214 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096597 763123654 /nfs/dbraw/zinc/12/36/54/763123654.db2.gz LVJGSJNLANFEFA-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938223 763142754 /nfs/dbraw/zinc/14/27/54/763142754.db2.gz SKAIAVKHHJBFMH-CVEARBPZSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099985499 763187798 /nfs/dbraw/zinc/18/77/98/763187798.db2.gz CXRFUBVUKRZMFB-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130398860 763293931 /nfs/dbraw/zinc/29/39/31/763293931.db2.gz HBXOSJCIBMFMDG-DZGCQCFKSA-N 2 1 317.437 0.789 20 30 DCEDMP C#CCC[NH2+]C1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001100466489 763594599 /nfs/dbraw/zinc/59/45/99/763594599.db2.gz LSZPITBNZGOWKW-UHFFFAOYSA-N 2 1 304.394 0.858 20 30 DCEDMP CC#CC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001100756987 763765770 /nfs/dbraw/zinc/76/57/70/763765770.db2.gz YEGJPECAVJIRAJ-UHFFFAOYSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131691935 763951509 /nfs/dbraw/zinc/95/15/09/763951509.db2.gz BRBFLFHXBKNEHG-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131697622 763956373 /nfs/dbraw/zinc/95/63/73/763956373.db2.gz OBVLGQLLBVWLLX-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697622 763956377 /nfs/dbraw/zinc/95/63/77/763956377.db2.gz OBVLGQLLBVWLLX-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697622 763956383 /nfs/dbraw/zinc/95/63/83/763956383.db2.gz OBVLGQLLBVWLLX-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001098477803 764142837 /nfs/dbraw/zinc/14/28/37/764142837.db2.gz KLPUTVIIHWCUHH-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477803 764142843 /nfs/dbraw/zinc/14/28/43/764142843.db2.gz KLPUTVIIHWCUHH-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477803 764142848 /nfs/dbraw/zinc/14/28/48/764142848.db2.gz KLPUTVIIHWCUHH-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)c1nccn12 ZINC001101641508 764214940 /nfs/dbraw/zinc/21/49/40/764214940.db2.gz RYGNKAHPWXOVIE-CQSZACIVSA-N 2 1 317.437 0.983 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132435118 764456277 /nfs/dbraw/zinc/45/62/77/764456277.db2.gz BMGDJRLFWQMECQ-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132435118 764456284 /nfs/dbraw/zinc/45/62/84/764456284.db2.gz BMGDJRLFWQMECQ-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132435118 764456288 /nfs/dbraw/zinc/45/62/88/764456288.db2.gz BMGDJRLFWQMECQ-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132435118 764456292 /nfs/dbraw/zinc/45/62/92/764456292.db2.gz BMGDJRLFWQMECQ-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579633 764712881 /nfs/dbraw/zinc/71/28/81/764712881.db2.gz HVZOFGPTJAZBEX-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719244 765111818 /nfs/dbraw/zinc/11/18/18/765111818.db2.gz WIWOEIPWGTUBKP-ZACQAIPSSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103719244 765111821 /nfs/dbraw/zinc/11/18/21/765111821.db2.gz WIWOEIPWGTUBKP-ZACQAIPSSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103719244 765111826 /nfs/dbraw/zinc/11/18/26/765111826.db2.gz WIWOEIPWGTUBKP-ZACQAIPSSA-N 2 1 321.465 0.662 20 30 DCEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103742638 765117966 /nfs/dbraw/zinc/11/79/66/765117966.db2.gz PBEZSQDPQOTDPZ-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103742638 765117970 /nfs/dbraw/zinc/11/79/70/765117970.db2.gz PBEZSQDPQOTDPZ-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103742638 765117975 /nfs/dbraw/zinc/11/79/75/765117975.db2.gz PBEZSQDPQOTDPZ-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103742638 765117977 /nfs/dbraw/zinc/11/79/77/765117977.db2.gz PBEZSQDPQOTDPZ-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890221 765211170 /nfs/dbraw/zinc/21/11/70/765211170.db2.gz LBVFZFOIXSVYDV-UHFFFAOYSA-N 2 1 322.409 0.792 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104000233 765230050 /nfs/dbraw/zinc/23/00/50/765230050.db2.gz ZWLLGEQYZJOCFO-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291357 765494592 /nfs/dbraw/zinc/49/45/92/765494592.db2.gz HNAFBOCVUWZCNY-BQFCYCMXSA-N 2 1 319.449 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291357 765494600 /nfs/dbraw/zinc/49/46/00/765494600.db2.gz HNAFBOCVUWZCNY-BQFCYCMXSA-N 2 1 319.449 0.559 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124873279 768319741 /nfs/dbraw/zinc/31/97/41/768319741.db2.gz VLLTXDWVQWKNIH-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093860 765801664 /nfs/dbraw/zinc/80/16/64/765801664.db2.gz UJAGJHRDJHEIMQ-KBPBESRZSA-N 2 1 308.426 0.011 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572628 766327275 /nfs/dbraw/zinc/32/72/75/766327275.db2.gz HFGVNQIWTDCMSL-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572628 766327283 /nfs/dbraw/zinc/32/72/83/766327283.db2.gz HFGVNQIWTDCMSL-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572628 766327289 /nfs/dbraw/zinc/32/72/89/766327289.db2.gz HFGVNQIWTDCMSL-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691720 766480551 /nfs/dbraw/zinc/48/05/51/766480551.db2.gz ICKVVIQPDMAZQR-CVEARBPZSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808683 766621495 /nfs/dbraw/zinc/62/14/95/766621495.db2.gz NLTVZHLVMVRZAL-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808683 766621499 /nfs/dbraw/zinc/62/14/99/766621499.db2.gz NLTVZHLVMVRZAL-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120449963 767019525 /nfs/dbraw/zinc/01/95/25/767019525.db2.gz QSLYPAVWFCWZRO-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[N@H+]1CC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC001120480997 767032433 /nfs/dbraw/zinc/03/24/33/767032433.db2.gz KHBWUWXIRHDXHZ-CQSZACIVSA-N 2 1 322.434 0.658 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120879529 767288767 /nfs/dbraw/zinc/28/87/67/767288767.db2.gz VFBUIRTXDGJDRY-UKEPKTAJSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120879529 767288770 /nfs/dbraw/zinc/28/87/70/767288770.db2.gz VFBUIRTXDGJDRY-UKEPKTAJSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@]2(C)C1 ZINC001091565324 767468578 /nfs/dbraw/zinc/46/85/78/767468578.db2.gz KQFDYTSALSLYCY-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565324 767468581 /nfs/dbraw/zinc/46/85/81/767468581.db2.gz KQFDYTSALSLYCY-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565324 767468585 /nfs/dbraw/zinc/46/85/85/767468585.db2.gz KQFDYTSALSLYCY-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565324 767468588 /nfs/dbraw/zinc/46/85/88/767468588.db2.gz KQFDYTSALSLYCY-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565324 767468591 /nfs/dbraw/zinc/46/85/91/767468591.db2.gz KQFDYTSALSLYCY-INMHGKMJSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOCC)C2 ZINC001147742008 767838326 /nfs/dbraw/zinc/83/83/26/767838326.db2.gz DEBWZSLFOOFORD-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCOCC)C2 ZINC001147742008 767838334 /nfs/dbraw/zinc/83/83/34/767838334.db2.gz DEBWZSLFOOFORD-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOCC)C2 ZINC001147742008 767838339 /nfs/dbraw/zinc/83/83/39/767838339.db2.gz DEBWZSLFOOFORD-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOCC)C2 ZINC001147742008 767838346 /nfs/dbraw/zinc/83/83/46/767838346.db2.gz DEBWZSLFOOFORD-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093212329 768481764 /nfs/dbraw/zinc/48/17/64/768481764.db2.gz LSEDCXDCUWDKCP-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093212329 768481768 /nfs/dbraw/zinc/48/17/68/768481768.db2.gz LSEDCXDCUWDKCP-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212329 768481772 /nfs/dbraw/zinc/48/17/72/768481772.db2.gz LSEDCXDCUWDKCP-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212329 768481776 /nfs/dbraw/zinc/48/17/76/768481776.db2.gz LSEDCXDCUWDKCP-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149849994 768882764 /nfs/dbraw/zinc/88/27/64/768882764.db2.gz XTHUMTBPZBNICU-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149937238 768911943 /nfs/dbraw/zinc/91/19/43/768911943.db2.gz RTSITPAIAWJTDQ-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937238 768911949 /nfs/dbraw/zinc/91/19/49/768911949.db2.gz RTSITPAIAWJTDQ-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149937238 768911954 /nfs/dbraw/zinc/91/19/54/768911954.db2.gz RTSITPAIAWJTDQ-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384596 769040722 /nfs/dbraw/zinc/04/07/22/769040722.db2.gz AKYRMKLXZYNIPM-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384596 769040734 /nfs/dbraw/zinc/04/07/34/769040734.db2.gz AKYRMKLXZYNIPM-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384596 769040746 /nfs/dbraw/zinc/04/07/46/769040746.db2.gz AKYRMKLXZYNIPM-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384596 769040757 /nfs/dbraw/zinc/04/07/57/769040757.db2.gz AKYRMKLXZYNIPM-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001151049579 769246054 /nfs/dbraw/zinc/24/60/54/769246054.db2.gz SNKZGYYFCSDGCH-CYBMUJFWSA-N 2 1 304.369 0.855 20 30 DCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073222 769252318 /nfs/dbraw/zinc/25/23/18/769252318.db2.gz GRLHSFWSJNLBLF-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@H+](C)CCC)C1=O ZINC001171763001 769369868 /nfs/dbraw/zinc/36/98/68/769369868.db2.gz PSMRFTFYCGYSQT-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153819343 769949785 /nfs/dbraw/zinc/94/97/85/769949785.db2.gz XGEKVWFZYAJMBF-CABCVRRESA-N 2 1 307.442 0.826 20 30 DCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153819343 769949798 /nfs/dbraw/zinc/94/97/98/769949798.db2.gz XGEKVWFZYAJMBF-CABCVRRESA-N 2 1 307.442 0.826 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nc(C)no2)CC1 ZINC001176926932 770227682 /nfs/dbraw/zinc/22/76/82/770227682.db2.gz ZCFJZGVTXIPCRA-UHFFFAOYSA-N 2 1 319.409 0.319 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374784 770800218 /nfs/dbraw/zinc/80/02/18/770800218.db2.gz XIILKSHDHDTWJV-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374784 770800228 /nfs/dbraw/zinc/80/02/28/770800228.db2.gz XIILKSHDHDTWJV-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374784 770800239 /nfs/dbraw/zinc/80/02/39/770800239.db2.gz XIILKSHDHDTWJV-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001179976043 771041621 /nfs/dbraw/zinc/04/16/21/771041621.db2.gz GNHHRZKPROACPX-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001179983131 771043521 /nfs/dbraw/zinc/04/35/21/771043521.db2.gz MCRQFNDSLKFUKT-ILXRZTDVSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180221592 771076395 /nfs/dbraw/zinc/07/63/95/771076395.db2.gz AVFRUUZUMRAUPC-KBPBESRZSA-N 2 1 310.442 0.208 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180900113 771198621 /nfs/dbraw/zinc/19/86/21/771198621.db2.gz WFNFZJJFEDZUSM-JFIYKMOQSA-N 2 1 321.465 0.805 20 30 DCEDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C#N ZINC001151049615 771318663 /nfs/dbraw/zinc/31/86/63/771318663.db2.gz UNRNQDPQACOUMW-CQSZACIVSA-N 2 1 316.405 0.724 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001183043403 771595856 /nfs/dbraw/zinc/59/58/56/771595856.db2.gz RRBAXXJYGPVUFU-CALCHBBNSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001183040600 771595967 /nfs/dbraw/zinc/59/59/67/771595967.db2.gz UNUGRFDFZIUSDJ-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001183045151 771596798 /nfs/dbraw/zinc/59/67/98/771596798.db2.gz UXAINHIATLFNRV-UHFFFAOYSA-N 2 1 315.421 0.964 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001183249426 771628377 /nfs/dbraw/zinc/62/83/77/771628377.db2.gz HXLYTXWUXVCCDG-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001159356173 771900526 /nfs/dbraw/zinc/90/05/26/771900526.db2.gz UQYZOFKZFIDNFD-CABCVRRESA-N 2 1 324.469 0.647 20 30 DCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001186116651 772007977 /nfs/dbraw/zinc/00/79/77/772007977.db2.gz JZNZQBSLTKAUIP-KBPBESRZSA-N 2 1 309.410 0.248 20 30 DCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC001186116651 772007981 /nfs/dbraw/zinc/00/79/81/772007981.db2.gz JZNZQBSLTKAUIP-KBPBESRZSA-N 2 1 309.410 0.248 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C(=O)OC)C1 ZINC001186116651 772007985 /nfs/dbraw/zinc/00/79/85/772007985.db2.gz JZNZQBSLTKAUIP-KBPBESRZSA-N 2 1 309.410 0.248 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C(=O)OC)C1 ZINC001186116651 772007989 /nfs/dbraw/zinc/00/79/89/772007989.db2.gz JZNZQBSLTKAUIP-KBPBESRZSA-N 2 1 309.410 0.248 20 30 DCEDMP C=CCOC[C@H]1CCC[C@@]12CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCO2 ZINC001160239887 772012998 /nfs/dbraw/zinc/01/29/98/772012998.db2.gz ISNYBKJKFKOYPP-IJEWVQPXSA-N 2 1 311.426 0.263 20 30 DCEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C[C@@H]21 ZINC001161082828 772163357 /nfs/dbraw/zinc/16/33/57/772163357.db2.gz PLLGRJSHTHARSH-IKGGRYGDSA-N 2 1 312.417 0.981 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171086 772335979 /nfs/dbraw/zinc/33/59/79/772335979.db2.gz IELUATZKHDETOF-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001189912821 772556999 /nfs/dbraw/zinc/55/69/99/772556999.db2.gz GKQCTKRHAWYNDH-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001189899084 772563479 /nfs/dbraw/zinc/56/34/79/772563479.db2.gz XODMBAYSICNPBE-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001189899084 772563482 /nfs/dbraw/zinc/56/34/82/772563482.db2.gz XODMBAYSICNPBE-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001189899084 772563486 /nfs/dbraw/zinc/56/34/86/772563486.db2.gz XODMBAYSICNPBE-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001189899084 772563488 /nfs/dbraw/zinc/56/34/88/772563488.db2.gz XODMBAYSICNPBE-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190169223 772600770 /nfs/dbraw/zinc/60/07/70/772600770.db2.gz XAANBXFEGOXPEP-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190169223 772600773 /nfs/dbraw/zinc/60/07/73/772600773.db2.gz XAANBXFEGOXPEP-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192007499 772856875 /nfs/dbraw/zinc/85/68/75/772856875.db2.gz OHIQZGYMYQPWBZ-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280998 773037378 /nfs/dbraw/zinc/03/73/78/773037378.db2.gz ZCGHLXVHMBOJHM-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280998 773037381 /nfs/dbraw/zinc/03/73/81/773037381.db2.gz ZCGHLXVHMBOJHM-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280998 773037385 /nfs/dbraw/zinc/03/73/85/773037385.db2.gz ZCGHLXVHMBOJHM-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558433 773084692 /nfs/dbraw/zinc/08/46/92/773084692.db2.gz BXMAEEOZRAVZEW-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558433 773084697 /nfs/dbraw/zinc/08/46/97/773084697.db2.gz BXMAEEOZRAVZEW-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026698 773140218 /nfs/dbraw/zinc/14/02/18/773140218.db2.gz IYOMOPPHFXPHSG-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)CC1 ZINC001194246523 773167562 /nfs/dbraw/zinc/16/75/62/773167562.db2.gz NXHXLVWQUCHKHD-MRXNPFEDSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCOC)C2)CC1 ZINC001194246910 773167637 /nfs/dbraw/zinc/16/76/37/773167637.db2.gz SWHFEIOXGILDDK-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@H](C)OC)C2)CC1 ZINC001194247349 773167649 /nfs/dbraw/zinc/16/76/49/773167649.db2.gz XBNACOJAMLXRAI-RDJZCZTQSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982252 773299223 /nfs/dbraw/zinc/29/92/23/773299223.db2.gz FBOSZNXFWNSZCY-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982252 773299227 /nfs/dbraw/zinc/29/92/27/773299227.db2.gz FBOSZNXFWNSZCY-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858870 773320094 /nfs/dbraw/zinc/32/00/94/773320094.db2.gz AUHIBBNHEXABTP-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858870 773320103 /nfs/dbraw/zinc/32/01/03/773320103.db2.gz AUHIBBNHEXABTP-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208423743 773457813 /nfs/dbraw/zinc/45/78/13/773457813.db2.gz OJWIQFZFJNSMFP-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210297815 773695673 /nfs/dbraw/zinc/69/56/73/773695673.db2.gz HXWOZXKVPOWRLF-QLFBSQMISA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210297815 773695680 /nfs/dbraw/zinc/69/56/80/773695680.db2.gz HXWOZXKVPOWRLF-QLFBSQMISA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210297815 773695687 /nfs/dbraw/zinc/69/56/87/773695687.db2.gz HXWOZXKVPOWRLF-QLFBSQMISA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210297815 773695695 /nfs/dbraw/zinc/69/56/95/773695695.db2.gz HXWOZXKVPOWRLF-QLFBSQMISA-N 2 1 322.453 0.067 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886039 773816967 /nfs/dbraw/zinc/81/69/67/773816967.db2.gz PPAUVPMIGDUALR-UHFFFAOYSA-N 2 1 309.454 0.902 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886039 773816974 /nfs/dbraw/zinc/81/69/74/773816974.db2.gz PPAUVPMIGDUALR-UHFFFAOYSA-N 2 1 309.454 0.902 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216844400 774142553 /nfs/dbraw/zinc/14/25/53/774142553.db2.gz AXBZTJXVUFAIKD-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060216 774596612 /nfs/dbraw/zinc/59/66/12/774596612.db2.gz VLZMOBXXMKPFEW-KBPBESRZSA-N 2 1 315.845 0.898 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220214416 774735757 /nfs/dbraw/zinc/73/57/57/774735757.db2.gz BPSYYKBDPLOHMT-JONQDZQNSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220214416 774735750 /nfs/dbraw/zinc/73/57/50/774735750.db2.gz BPSYYKBDPLOHMT-JONQDZQNSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220214416 774735753 /nfs/dbraw/zinc/73/57/53/774735753.db2.gz BPSYYKBDPLOHMT-JONQDZQNSA-N 2 1 309.454 0.844 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202502606 774768790 /nfs/dbraw/zinc/76/87/90/774768790.db2.gz FUIFJJJUDGSBKO-HOCLYGCPSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771361 774911177 /nfs/dbraw/zinc/91/11/77/774911177.db2.gz QBISHRAFAYUZEQ-KFWWJZLASA-N 2 1 307.438 0.598 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095984 774995174 /nfs/dbraw/zinc/99/51/74/774995174.db2.gz LQIJIHCWMIKBQQ-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095984 774995178 /nfs/dbraw/zinc/99/51/78/774995178.db2.gz LQIJIHCWMIKBQQ-PMPSAXMXSA-N 2 1 309.454 0.844 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443531 775353853 /nfs/dbraw/zinc/35/38/53/775353853.db2.gz YMILSLDZMPBQCN-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222443531 775353866 /nfs/dbraw/zinc/35/38/66/775353866.db2.gz YMILSLDZMPBQCN-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222443531 775353877 /nfs/dbraw/zinc/35/38/77/775353877.db2.gz YMILSLDZMPBQCN-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCN(CCN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)C(=O)OCC ZINC001222492395 775366941 /nfs/dbraw/zinc/36/69/41/775366941.db2.gz WOIZCCACBRIWJU-GJZGRUSLSA-N 2 1 310.442 0.657 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225088277 775641949 /nfs/dbraw/zinc/64/19/49/775641949.db2.gz ZBRQOIQFRNMUBY-UHFFFAOYSA-N 2 1 324.469 0.459 20 30 DCEDMP C=CCNC(=O)CN1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001227826255 776012879 /nfs/dbraw/zinc/01/28/79/776012879.db2.gz ZKXYHOBYAUJHIM-UHFFFAOYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001227826255 776012895 /nfs/dbraw/zinc/01/28/95/776012895.db2.gz ZKXYHOBYAUJHIM-UHFFFAOYSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001227849428 776016642 /nfs/dbraw/zinc/01/66/42/776016642.db2.gz TYKUOABUOYCAEU-WBVHZDCISA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001227849428 776016645 /nfs/dbraw/zinc/01/66/45/776016645.db2.gz TYKUOABUOYCAEU-WBVHZDCISA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227981006 776032375 /nfs/dbraw/zinc/03/23/75/776032375.db2.gz ZNOAZIRRUIDNQP-CQSZACIVSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001229185204 776166719 /nfs/dbraw/zinc/16/67/19/776166719.db2.gz IQVCTKMGHQBGNM-GDBMZVCRSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041403219 777256582 /nfs/dbraw/zinc/25/65/82/777256582.db2.gz MXJFRONOGMZGLX-BFYDXBDKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041403219 777256589 /nfs/dbraw/zinc/25/65/89/777256589.db2.gz MXJFRONOGMZGLX-BFYDXBDKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041403219 777256595 /nfs/dbraw/zinc/25/65/95/777256595.db2.gz MXJFRONOGMZGLX-BFYDXBDKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041403219 777256604 /nfs/dbraw/zinc/25/66/04/777256604.db2.gz MXJFRONOGMZGLX-BFYDXBDKSA-N 2 1 307.438 0.816 20 30 DCEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](CC(N)=O)CC3)cc1C#N ZINC001277981806 945080005 /nfs/dbraw/zinc/08/00/05/945080005.db2.gz NQMKKWAFLHBNMV-UHFFFAOYSA-N 2 1 301.394 0.280 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C[C@@H](C)O)C2CC2)CC1 ZINC001266621573 939181803 /nfs/dbraw/zinc/18/18/03/939181803.db2.gz GKFPZQBUCYJUNB-CQSZACIVSA-N 2 1 307.438 0.293 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267056824 939326110 /nfs/dbraw/zinc/32/61/10/939326110.db2.gz WIGBEVORYNUPST-BBWFWOEESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267115253 939349192 /nfs/dbraw/zinc/34/91/92/939349192.db2.gz RMYFLFYYYXEZGU-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267115253 939349196 /nfs/dbraw/zinc/34/91/96/939349196.db2.gz RMYFLFYYYXEZGU-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267115253 939349200 /nfs/dbraw/zinc/34/92/00/939349200.db2.gz RMYFLFYYYXEZGU-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267115253 939349204 /nfs/dbraw/zinc/34/92/04/939349204.db2.gz RMYFLFYYYXEZGU-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267197047 939382335 /nfs/dbraw/zinc/38/23/35/939382335.db2.gz QDEJEKLBDQFZOB-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CC(OCC)C1 ZINC001267200261 939384289 /nfs/dbraw/zinc/38/42/89/939384289.db2.gz IRQFGUHOAPXSQN-JCYILVPMSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CC(OCC)C1 ZINC001267200261 939384292 /nfs/dbraw/zinc/38/42/92/939384292.db2.gz IRQFGUHOAPXSQN-JCYILVPMSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CC(OCC)C1 ZINC001267200261 939384295 /nfs/dbraw/zinc/38/42/95/939384295.db2.gz IRQFGUHOAPXSQN-JCYILVPMSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CC(OCC)C1 ZINC001267200261 939384297 /nfs/dbraw/zinc/38/42/97/939384297.db2.gz IRQFGUHOAPXSQN-JCYILVPMSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267565848 939501827 /nfs/dbraw/zinc/50/18/27/939501827.db2.gz VVLJIQMWLQHOMG-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481039708 939536635 /nfs/dbraw/zinc/53/66/35/939536635.db2.gz OEQAUJIRPZFVQK-RBSFLKMASA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481039708 939536636 /nfs/dbraw/zinc/53/66/36/939536636.db2.gz OEQAUJIRPZFVQK-RBSFLKMASA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001481039708 939536638 /nfs/dbraw/zinc/53/66/38/939536638.db2.gz OEQAUJIRPZFVQK-RBSFLKMASA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001481039708 939536640 /nfs/dbraw/zinc/53/66/40/939536640.db2.gz OEQAUJIRPZFVQK-RBSFLKMASA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267601923 939544426 /nfs/dbraw/zinc/54/44/26/939544426.db2.gz TYXBUEYPJPHZEJ-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267601923 939544427 /nfs/dbraw/zinc/54/44/27/939544427.db2.gz TYXBUEYPJPHZEJ-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267601923 939544428 /nfs/dbraw/zinc/54/44/28/939544428.db2.gz TYXBUEYPJPHZEJ-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001481069929 939547745 /nfs/dbraw/zinc/54/77/45/939547745.db2.gz DDHITQTXADLNTE-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C[C@@H](C)O)C(C)C)CC1 ZINC001481357405 939759500 /nfs/dbraw/zinc/75/95/00/939759500.db2.gz CGPIAWZXXRQAIA-MRXNPFEDSA-N 2 1 323.481 0.929 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268553819 940231800 /nfs/dbraw/zinc/23/18/00/940231800.db2.gz YIBZEPSXVCNAHQ-QGZUEGPWSA-N 2 1 307.438 0.773 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCn1cccn1 ZINC001268648340 940317779 /nfs/dbraw/zinc/31/77/79/940317779.db2.gz DLIQTMLVYPXDND-CABCVRRESA-N 2 1 303.410 0.075 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCn1cccn1 ZINC001268648340 940317782 /nfs/dbraw/zinc/31/77/82/940317782.db2.gz DLIQTMLVYPXDND-CABCVRRESA-N 2 1 303.410 0.075 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC[C@@H](C)O)C1 ZINC001268837663 940378819 /nfs/dbraw/zinc/37/88/19/940378819.db2.gz BJIHGSISAARAMD-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC[C@@H](C)O)C1 ZINC001268837663 940378822 /nfs/dbraw/zinc/37/88/22/940378822.db2.gz BJIHGSISAARAMD-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273144236 945324854 /nfs/dbraw/zinc/32/48/54/945324854.db2.gz OLLZGZUOGWDCDR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCN1C[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144236 945324861 /nfs/dbraw/zinc/32/48/61/945324861.db2.gz OLLZGZUOGWDCDR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCN1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144236 945324871 /nfs/dbraw/zinc/32/48/71/945324871.db2.gz OLLZGZUOGWDCDR-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268572 940667495 /nfs/dbraw/zinc/66/74/95/940667495.db2.gz NMVCYERRBSYFGU-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268572 940667496 /nfs/dbraw/zinc/66/74/96/940667496.db2.gz NMVCYERRBSYFGU-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001269649588 940749556 /nfs/dbraw/zinc/74/95/56/940749556.db2.gz HYJWJLRSRYEJEE-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001482438132 941221244 /nfs/dbraw/zinc/22/12/44/941221244.db2.gz BQHUGIKLWOEEEM-LSDHHAIUSA-N 2 1 324.469 0.455 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001271738075 941439913 /nfs/dbraw/zinc/43/99/13/941439913.db2.gz FTUPCMBNAPXTJS-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484223999 943217615 /nfs/dbraw/zinc/21/76/15/943217615.db2.gz PXSOIPXZPSPRNZ-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484223999 943217621 /nfs/dbraw/zinc/21/76/21/943217621.db2.gz PXSOIPXZPSPRNZ-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484223999 943217630 /nfs/dbraw/zinc/21/76/30/943217630.db2.gz PXSOIPXZPSPRNZ-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484312254 943315132 /nfs/dbraw/zinc/31/51/32/943315132.db2.gz YZRJQLZRIXXJLN-UHFFFAOYSA-N 2 1 309.454 0.992 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001484350228 943330728 /nfs/dbraw/zinc/33/07/28/943330728.db2.gz GHNGALURUAXYJA-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001484407895 943353687 /nfs/dbraw/zinc/35/36/87/943353687.db2.gz RZQOVHUUBJLFLO-IYBDPMFKSA-N 2 1 316.405 0.232 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001484407895 943353689 /nfs/dbraw/zinc/35/36/89/943353689.db2.gz RZQOVHUUBJLFLO-IYBDPMFKSA-N 2 1 316.405 0.232 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484420437 943363624 /nfs/dbraw/zinc/36/36/24/943363624.db2.gz FJHOIVPTAXMAPE-MRXNPFEDSA-N 2 1 306.454 0.274 20 30 DCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001484962821 943634288 /nfs/dbraw/zinc/63/42/88/943634288.db2.gz CSMRISKMZYMYPC-KRWDZBQOSA-N 2 1 321.465 0.992 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001485091842 943688986 /nfs/dbraw/zinc/68/89/86/943688986.db2.gz GNWVQWKWHCYNKT-JCYILVPMSA-N 2 1 321.465 0.993 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491110124 943762342 /nfs/dbraw/zinc/76/23/42/943762342.db2.gz FEBVRZSFQVRVMN-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001491110124 943762348 /nfs/dbraw/zinc/76/23/48/943762348.db2.gz FEBVRZSFQVRVMN-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001491110124 943762349 /nfs/dbraw/zinc/76/23/49/943762349.db2.gz FEBVRZSFQVRVMN-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001485346813 943861750 /nfs/dbraw/zinc/86/17/50/943861750.db2.gz XWNXTWFSZYAWEZ-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001485792653 944138161 /nfs/dbraw/zinc/13/81/61/944138161.db2.gz NWHQLXMEMKHSIV-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001485792653 944138162 /nfs/dbraw/zinc/13/81/62/944138162.db2.gz NWHQLXMEMKHSIV-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001281136152 944208726 /nfs/dbraw/zinc/20/87/26/944208726.db2.gz AEURUDLZDCCVDD-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCC=C)C1 ZINC001281138051 944213817 /nfs/dbraw/zinc/21/38/17/944213817.db2.gz OUGBKXVXGNJZCF-WMZOPIPTSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCC=C)C1 ZINC001281138051 944213821 /nfs/dbraw/zinc/21/38/21/944213821.db2.gz OUGBKXVXGNJZCF-WMZOPIPTSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCCF)CC1 ZINC001316965109 944691966 /nfs/dbraw/zinc/69/19/66/944691966.db2.gz QOMAIASSTAGYKX-INIZCTEOSA-N 2 1 324.444 0.177 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCCF)CC1 ZINC001316965109 944691971 /nfs/dbraw/zinc/69/19/71/944691971.db2.gz QOMAIASSTAGYKX-INIZCTEOSA-N 2 1 324.444 0.177 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001317015911 944741828 /nfs/dbraw/zinc/74/18/28/944741828.db2.gz JJSNOQFTFHIKPU-MRXNPFEDSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001277938341 945050284 /nfs/dbraw/zinc/05/02/84/945050284.db2.gz SHRCIVXKBPTRFK-CYBMUJFWSA-N 2 1 304.394 0.954 20 30 DCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001318731075 945434979 /nfs/dbraw/zinc/43/49/79/945434979.db2.gz XNNIVJUACGUFRI-WBVHZDCISA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001318731075 945434986 /nfs/dbraw/zinc/43/49/86/945434986.db2.gz XNNIVJUACGUFRI-WBVHZDCISA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001319592106 945626742 /nfs/dbraw/zinc/62/67/42/945626742.db2.gz GYBPHAIXOOIXSN-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001319707996 945651016 /nfs/dbraw/zinc/65/10/16/945651016.db2.gz JTGVUMITGAQCMH-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001320084731 945735496 /nfs/dbraw/zinc/73/54/96/945735496.db2.gz KJYKNLQTPRVZCM-ZDUSSCGKSA-N 2 1 321.425 0.272 20 30 DCEDMP C=CCOC[C@@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252466605 945944382 /nfs/dbraw/zinc/94/43/82/945944382.db2.gz QSHJQMAUCPPWBA-AWEZNQCLSA-N 2 1 302.415 0.367 20 30 DCEDMP C=CCOC[C@@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252466605 945944390 /nfs/dbraw/zinc/94/43/90/945944390.db2.gz QSHJQMAUCPPWBA-AWEZNQCLSA-N 2 1 302.415 0.367 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278801621 946421697 /nfs/dbraw/zinc/42/16/97/946421697.db2.gz YQOOCTNCVQCJGX-ZOBUZTSGSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278801621 946421707 /nfs/dbraw/zinc/42/17/07/946421707.db2.gz YQOOCTNCVQCJGX-ZOBUZTSGSA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809849 946428637 /nfs/dbraw/zinc/42/86/37/946428637.db2.gz HTTGZJSDWAUWIU-KRWDZBQOSA-N 2 1 318.421 0.583 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809849 946428645 /nfs/dbraw/zinc/42/86/45/946428645.db2.gz HTTGZJSDWAUWIU-KRWDZBQOSA-N 2 1 318.421 0.583 20 30 DCEDMP C#CCN(CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)CCOC ZINC001279048864 946771085 /nfs/dbraw/zinc/77/10/85/946771085.db2.gz DIZDACAASZTYMJ-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CCOC ZINC001279048864 946771096 /nfs/dbraw/zinc/77/10/96/946771096.db2.gz DIZDACAASZTYMJ-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CCOC ZINC001279048864 946771113 /nfs/dbraw/zinc/77/11/13/946771113.db2.gz DIZDACAASZTYMJ-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)CCOC ZINC001279048864 946771146 /nfs/dbraw/zinc/77/11/46/946771146.db2.gz DIZDACAASZTYMJ-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@@H+](CCOC)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001323748943 947191162 /nfs/dbraw/zinc/19/11/62/947191162.db2.gz NIXPJGZWRHSUEY-UHFFFAOYSA-N 2 1 318.421 0.764 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001323748943 947191167 /nfs/dbraw/zinc/19/11/67/947191167.db2.gz NIXPJGZWRHSUEY-UHFFFAOYSA-N 2 1 318.421 0.764 20 30 DCEDMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457240 947298907 /nfs/dbraw/zinc/29/89/07/947298907.db2.gz BWDJYSFAEBLQRB-DZGCQCFKSA-N 2 1 307.442 0.292 20 30 DCEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457240 947298915 /nfs/dbraw/zinc/29/89/15/947298915.db2.gz BWDJYSFAEBLQRB-DZGCQCFKSA-N 2 1 307.442 0.292 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1csnn1 ZINC001273427859 947350741 /nfs/dbraw/zinc/35/07/41/947350741.db2.gz MPYIAEPODZEHQS-AWEZNQCLSA-N 2 1 321.450 0.574 20 30 DCEDMP C#CCN(C(=O)CC[NH+]1CCOCC1)C1CC[NH+](CC)CC1 ZINC001324426608 947423241 /nfs/dbraw/zinc/42/32/41/947423241.db2.gz MCILLVRPNCCOIG-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001325275333 947734320 /nfs/dbraw/zinc/73/43/20/947734320.db2.gz YGIYOBHTAWGSOE-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001325275336 947735067 /nfs/dbraw/zinc/73/50/67/947735067.db2.gz YGIYOBHTAWGSOE-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001263105572 947810362 /nfs/dbraw/zinc/81/03/62/947810362.db2.gz SGOPFDWPIDFMSP-UONOGXRCSA-N 2 1 308.426 0.093 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001327669261 948589790 /nfs/dbraw/zinc/58/97/90/948589790.db2.gz GDGZFGMLDFIMNU-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001327671174 948589820 /nfs/dbraw/zinc/58/98/20/948589820.db2.gz JKGCETBUDAAWLY-UHFFFAOYSA-N 2 1 304.394 0.470 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001273910157 948676693 /nfs/dbraw/zinc/67/66/93/948676693.db2.gz DYTQLPRVFKAMEX-SFHVURJKSA-N 2 1 323.481 0.931 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001264634183 949036153 /nfs/dbraw/zinc/03/61/53/949036153.db2.gz KVUMKPPSKRXWMU-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001264636448 949047653 /nfs/dbraw/zinc/04/76/53/949047653.db2.gz TXVNAXIGJYKDJG-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001264636448 949047668 /nfs/dbraw/zinc/04/76/68/949047668.db2.gz TXVNAXIGJYKDJG-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001264636448 949047688 /nfs/dbraw/zinc/04/76/88/949047688.db2.gz TXVNAXIGJYKDJG-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001265247118 949487238 /nfs/dbraw/zinc/48/72/38/949487238.db2.gz CQCRPUQKQKGRPA-HNNXBMFYSA-N 2 1 307.442 0.118 20 30 DCEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001265247118 949487247 /nfs/dbraw/zinc/48/72/47/949487247.db2.gz CQCRPUQKQKGRPA-HNNXBMFYSA-N 2 1 307.442 0.118 20 30 DCEDMP C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001329625950 949724961 /nfs/dbraw/zinc/72/49/61/949724961.db2.gz ZLFGRSULPKMMMR-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265597224 949805959 /nfs/dbraw/zinc/80/59/59/949805959.db2.gz SZPGIQABNUZULA-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001265947761 950180490 /nfs/dbraw/zinc/18/04/90/950180490.db2.gz XMVMOWHOFZZLAR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC#CCOC)C1 ZINC001266116211 950385527 /nfs/dbraw/zinc/38/55/27/950385527.db2.gz HKPFFXDFSQRLGP-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001266116211 950385540 /nfs/dbraw/zinc/38/55/40/950385540.db2.gz HKPFFXDFSQRLGP-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001266116211 950385556 /nfs/dbraw/zinc/38/55/56/950385556.db2.gz HKPFFXDFSQRLGP-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001330674480 950584368 /nfs/dbraw/zinc/58/43/68/950584368.db2.gz RZDLWUGOXKYQQG-CTYIDZIISA-N 2 1 309.373 0.999 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001279508490 950609560 /nfs/dbraw/zinc/60/95/60/950609560.db2.gz DGHKNEKBLSUSMU-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001279508490 950609573 /nfs/dbraw/zinc/60/95/73/950609573.db2.gz DGHKNEKBLSUSMU-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001279508490 950609581 /nfs/dbraw/zinc/60/95/81/950609581.db2.gz DGHKNEKBLSUSMU-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001279508490 950609594 /nfs/dbraw/zinc/60/95/94/950609594.db2.gz DGHKNEKBLSUSMU-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001490469762 950709808 /nfs/dbraw/zinc/70/98/08/950709808.db2.gz IXNLEAGAKKVBJJ-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001331133190 950941806 /nfs/dbraw/zinc/94/18/06/950941806.db2.gz PDTYAZQTBPMTAI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001331133190 950941822 /nfs/dbraw/zinc/94/18/22/950941822.db2.gz PDTYAZQTBPMTAI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CCN1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001316604929 951022939 /nfs/dbraw/zinc/02/29/39/951022939.db2.gz MWDJOUYEOQQSGS-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH2+][C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001490722276 951035432 /nfs/dbraw/zinc/03/54/32/951035432.db2.gz JWYIJEPDPTVDMU-INIZCTEOSA-N 2 1 309.373 0.999 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001331504490 951146212 /nfs/dbraw/zinc/14/62/12/951146212.db2.gz OWCGCTKYEPNGIS-GXTWGEPZSA-N 2 1 321.425 0.319 20 30 DCEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001274617242 951743916 /nfs/dbraw/zinc/74/39/16/951743916.db2.gz WGXNXPVPKUMHML-IRXDYDNUSA-N 2 1 318.421 0.782 20 30 DCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274619857 951748116 /nfs/dbraw/zinc/74/81/16/951748116.db2.gz FEMQLDWQPXPCQE-DOTOQJQBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001274663256 951773168 /nfs/dbraw/zinc/77/31/68/951773168.db2.gz SXUSHYQQJAINKN-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001274942538 951903401 /nfs/dbraw/zinc/90/34/01/951903401.db2.gz YPHPRJGEPQAKAL-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275593109 952294795 /nfs/dbraw/zinc/29/47/95/952294795.db2.gz YIODATMTQOUUQR-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@@H](C)O ZINC001275684781 952380425 /nfs/dbraw/zinc/38/04/25/952380425.db2.gz JPMYFERJRIWKEL-CABCVRRESA-N 2 1 309.454 0.539 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@@H](C)O ZINC001275684781 952380431 /nfs/dbraw/zinc/38/04/31/952380431.db2.gz JPMYFERJRIWKEL-CABCVRRESA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001281810172 953371237 /nfs/dbraw/zinc/37/12/37/953371237.db2.gz QFVYMVXGFVIUMM-MRXNPFEDSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001281818475 953375484 /nfs/dbraw/zinc/37/54/84/953375484.db2.gz ZVFHXMSDVVBHRO-HNNXBMFYSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001316630853 954817292 /nfs/dbraw/zinc/81/72/92/954817292.db2.gz ZNPJFULNAXAOMI-VQHPVUNQSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001316630853 954817301 /nfs/dbraw/zinc/81/73/01/954817301.db2.gz ZNPJFULNAXAOMI-VQHPVUNQSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)C(=O)CC[NH+](C)C ZINC001284624123 955205899 /nfs/dbraw/zinc/20/58/99/955205899.db2.gz HIRJETBVBHLENK-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)C(=O)CC[NH+](C)C ZINC001284624123 955205907 /nfs/dbraw/zinc/20/59/07/955205907.db2.gz HIRJETBVBHLENK-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001480304063 955667499 /nfs/dbraw/zinc/66/74/99/955667499.db2.gz IPSIUVISAAYHBR-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001480304063 955667513 /nfs/dbraw/zinc/66/75/13/955667513.db2.gz IPSIUVISAAYHBR-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001354233814 956321370 /nfs/dbraw/zinc/32/13/70/956321370.db2.gz LRACHDGYTISBHI-YHUYYLMFSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001354233814 956321383 /nfs/dbraw/zinc/32/13/83/956321383.db2.gz LRACHDGYTISBHI-YHUYYLMFSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001354233814 956321391 /nfs/dbraw/zinc/32/13/91/956321391.db2.gz LRACHDGYTISBHI-YHUYYLMFSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC001354233814 956321403 /nfs/dbraw/zinc/32/14/03/956321403.db2.gz LRACHDGYTISBHI-YHUYYLMFSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC001354233814 956321416 /nfs/dbraw/zinc/32/14/16/956321416.db2.gz LRACHDGYTISBHI-YHUYYLMFSA-N 2 1 304.438 0.723 20 30 DCEDMP N#CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001358104111 957425557 /nfs/dbraw/zinc/42/55/57/957425557.db2.gz SEYQGJBVNVCBJO-XHSDSOJGSA-N 3 1 319.453 0.435 20 30 DCEDMP N#CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001358104111 957425560 /nfs/dbraw/zinc/42/55/60/957425560.db2.gz SEYQGJBVNVCBJO-XHSDSOJGSA-N 2 1 319.453 0.435 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001295544333 957749466 /nfs/dbraw/zinc/74/94/66/957749466.db2.gz GRCKHMKCYAMQHY-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001295544333 957749474 /nfs/dbraw/zinc/74/94/74/957749474.db2.gz GRCKHMKCYAMQHY-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367582233 958112008 /nfs/dbraw/zinc/11/20/08/958112008.db2.gz NSMWODHQSKFXCK-CHWSQXEVSA-N 2 1 303.834 0.678 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367582248 958112664 /nfs/dbraw/zinc/11/26/64/958112664.db2.gz NSMWODHQSKFXCK-STQMWFEESA-N 2 1 303.834 0.678 20 30 DCEDMP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001367623591 958206717 /nfs/dbraw/zinc/20/67/17/958206717.db2.gz BSGFBMUPLULKFF-NSHDSACASA-N 2 1 322.247 0.302 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001368576005 960050130 /nfs/dbraw/zinc/05/01/30/960050130.db2.gz IPCAVXLFNIDHQL-MGPQQGTHSA-N 2 1 315.845 0.896 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001379217243 962390256 /nfs/dbraw/zinc/39/02/56/962390256.db2.gz ANCBUZMRNCZYTM-JKSUJKDBSA-N 2 1 316.405 0.219 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001374624639 965657198 /nfs/dbraw/zinc/65/71/98/965657198.db2.gz OVVPLTBPSACXDG-ZIAGYGMSSA-N 2 1 317.861 0.926 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001448495897 1013931911 /nfs/dbraw/zinc/93/19/11/1013931911.db2.gz GBDNODJDSGHOQN-AVGNSLFASA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001448495897 1013931914 /nfs/dbraw/zinc/93/19/14/1013931914.db2.gz GBDNODJDSGHOQN-AVGNSLFASA-N 2 1 301.818 0.554 20 30 DCEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2C#N)C1 ZINC001448948000 1014105155 /nfs/dbraw/zinc/10/51/55/1014105155.db2.gz DGDJNKZYYQASIP-CVEARBPZSA-N 2 1 316.405 0.077 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2C#N)C1 ZINC001448948000 1014105156 /nfs/dbraw/zinc/10/51/56/1014105156.db2.gz DGDJNKZYYQASIP-CVEARBPZSA-N 2 1 316.405 0.077 20 30 DCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001507232887 1016156445 /nfs/dbraw/zinc/15/64/45/1016156445.db2.gz OASHWCPINMUUEM-ZIAGYGMSSA-N 2 1 306.410 0.397 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001505518664 1016283725 /nfs/dbraw/zinc/28/37/25/1016283725.db2.gz RNGAWEMZPDCCPW-QQFBHYJXSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C(C)(C)C ZINC001508034064 1016618362 /nfs/dbraw/zinc/61/83/62/1016618362.db2.gz WJXFZDYPPZPLLT-HNNXBMFYSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001506065912 1016973641 /nfs/dbraw/zinc/97/36/41/1016973641.db2.gz YIKRMNCWPPRAFE-HIFRSBDPSA-N 2 1 322.453 0.032 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001442156865 1009031511 /nfs/dbraw/zinc/03/15/11/1009031511.db2.gz LRQWFXACUVGPOZ-CQSZACIVSA-N 2 1 315.845 0.899 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC001479881219 1017934088 /nfs/dbraw/zinc/93/40/88/1017934088.db2.gz WFUKOFWJXMFCNB-UHFFFAOYSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001479939694 1018011714 /nfs/dbraw/zinc/01/17/14/1018011714.db2.gz DQGFUHALSMPWGB-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001480020465 1018132708 /nfs/dbraw/zinc/13/27/08/1018132708.db2.gz SKSSKJACOFIMRZ-IAGOWNOFSA-N 2 1 321.465 0.993 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001480020467 1018133386 /nfs/dbraw/zinc/13/33/86/1018133386.db2.gz SKSSKJACOFIMRZ-SJORKVTESA-N 2 1 321.465 0.993 20 30 DCEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001500485062 1018468595 /nfs/dbraw/zinc/46/85/95/1018468595.db2.gz GKCGHHZTBKJFKP-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001500485062 1018468607 /nfs/dbraw/zinc/46/86/07/1018468607.db2.gz GKCGHHZTBKJFKP-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001500485062 1018468612 /nfs/dbraw/zinc/46/86/12/1018468612.db2.gz GKCGHHZTBKJFKP-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001500485062 1018468628 /nfs/dbraw/zinc/46/86/28/1018468628.db2.gz GKCGHHZTBKJFKP-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001495471850 1018527284 /nfs/dbraw/zinc/52/72/84/1018527284.db2.gz GHEHMDQGMXJZPM-WKILWMFISA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001495578492 1018582744 /nfs/dbraw/zinc/58/27/44/1018582744.db2.gz UIVIUVFTMGNXQL-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001498306487 1018927907 /nfs/dbraw/zinc/92/79/07/1018927907.db2.gz QMDOYOVBTJKNRM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498306487 1018927921 /nfs/dbraw/zinc/92/79/21/1018927921.db2.gz QMDOYOVBTJKNRM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001498306487 1018927932 /nfs/dbraw/zinc/92/79/32/1018927932.db2.gz QMDOYOVBTJKNRM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001493004517 1019000575 /nfs/dbraw/zinc/00/05/75/1019000575.db2.gz OYRUKVFFUYKXFP-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001493004517 1019000592 /nfs/dbraw/zinc/00/05/92/1019000592.db2.gz OYRUKVFFUYKXFP-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493004517 1019000609 /nfs/dbraw/zinc/00/06/09/1019000609.db2.gz OYRUKVFFUYKXFP-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001493004517 1019000624 /nfs/dbraw/zinc/00/06/24/1019000624.db2.gz OYRUKVFFUYKXFP-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)OC)CC1 ZINC001498457936 1019139240 /nfs/dbraw/zinc/13/92/40/1019139240.db2.gz VFMVVSGZUZORCE-LSDHHAIUSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001493252946 1019256794 /nfs/dbraw/zinc/25/67/94/1019256794.db2.gz AZXCZBVLMGRGIM-HOTGVXAUSA-N 2 1 309.454 0.661 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCO1 ZINC001502056307 1019667695 /nfs/dbraw/zinc/66/76/95/1019667695.db2.gz URRMCYFNYFZQRL-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C[N@@H+](CCCO)C1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000330880761 396865634 /nfs/dbraw/zinc/86/56/34/396865634.db2.gz YPMQBIFDZDOFST-UHFFFAOYSA-N 2 1 312.458 0.773 20 30 DCEDMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cnc(C#N)n1 ZINC000591766592 397000400 /nfs/dbraw/zinc/00/04/00/397000400.db2.gz JRVXXESCTVYVEW-OAHLLOKOSA-N 2 1 314.393 0.232 20 30 DCEDMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cnc(C#N)n1 ZINC000591766592 397000403 /nfs/dbraw/zinc/00/04/03/397000403.db2.gz JRVXXESCTVYVEW-OAHLLOKOSA-N 2 1 314.393 0.232 20 30 DCEDMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)C1 ZINC000592145126 397103342 /nfs/dbraw/zinc/10/33/42/397103342.db2.gz ODSFMTULQDMVQY-GJZGRUSLSA-N 2 1 307.442 0.246 20 30 DCEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723963 416086719 /nfs/dbraw/zinc/08/67/19/416086719.db2.gz QQNUWILEPBWAES-HNNXBMFYSA-N 2 1 309.458 0.316 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000491683401 416614816 /nfs/dbraw/zinc/61/48/16/416614816.db2.gz YMIOCYJDIQHEHL-MRXNPFEDSA-N 2 1 306.454 0.973 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000491166855 416589628 /nfs/dbraw/zinc/58/96/28/416589628.db2.gz UVTYVOBSOUEXMZ-UHFFFAOYSA-N 2 1 313.361 0.344 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000491743551 416622291 /nfs/dbraw/zinc/62/22/91/416622291.db2.gz XQIREDLQOXRWJX-OAHLLOKOSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000491743551 416622296 /nfs/dbraw/zinc/62/22/96/416622296.db2.gz XQIREDLQOXRWJX-OAHLLOKOSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000491743551 416622300 /nfs/dbraw/zinc/62/23/00/416622300.db2.gz XQIREDLQOXRWJX-OAHLLOKOSA-N 2 1 310.442 0.088 20 30 DCEDMP C[NH+]1C[C@H]2CCN(CC#CCN3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000644733065 417651061 /nfs/dbraw/zinc/65/10/61/417651061.db2.gz LGGCLXGYBHYWTC-USTZCAOPSA-N 2 1 302.466 0.262 20 30 DCEDMP C[NH+]1C[C@H]2[C@@H](CCN2CC#CCN2CC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC000644733065 417651065 /nfs/dbraw/zinc/65/10/65/417651065.db2.gz LGGCLXGYBHYWTC-USTZCAOPSA-N 2 1 302.466 0.262 20 30 DCEDMP C[NH+]1C[C@H]2[C@@H](CCN2CC#CCN2CC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000644733065 417651071 /nfs/dbraw/zinc/65/10/71/417651071.db2.gz LGGCLXGYBHYWTC-USTZCAOPSA-N 2 1 302.466 0.262 20 30 DCEDMP C[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](C)[C@](C)(CO)C2)C[C@]1(C)CO ZINC000662142625 418383598 /nfs/dbraw/zinc/38/35/98/418383598.db2.gz JHRMPSVVJIFSBL-FZDBZEDMSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)C[C@]1(C)CO ZINC000662142625 418383601 /nfs/dbraw/zinc/38/36/01/418383601.db2.gz JHRMPSVVJIFSBL-FZDBZEDMSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)[C@](C)(CO)C2)C[C@]1(C)CO ZINC000662142625 418383604 /nfs/dbraw/zinc/38/36/04/418383604.db2.gz JHRMPSVVJIFSBL-FZDBZEDMSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000329421932 289395020 /nfs/dbraw/zinc/39/50/20/289395020.db2.gz HSUQYBXISFEPFU-ZIAGYGMSSA-N 2 1 310.442 0.695 20 30 DCEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000329421932 289395024 /nfs/dbraw/zinc/39/50/24/289395024.db2.gz HSUQYBXISFEPFU-ZIAGYGMSSA-N 2 1 310.442 0.695 20 30 DCEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000329782253 289395238 /nfs/dbraw/zinc/39/52/38/289395238.db2.gz UCAPVJPQRIZJCT-RBSFLKMASA-N 2 1 312.458 0.941 20 30 DCEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000329782253 289395239 /nfs/dbraw/zinc/39/52/39/289395239.db2.gz UCAPVJPQRIZJCT-RBSFLKMASA-N 2 1 312.458 0.941 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568491957 1159186693 /nfs/dbraw/zinc/18/66/93/1159186693.db2.gz ZPLATYUMHXKEJH-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568491957 1159186695 /nfs/dbraw/zinc/18/66/95/1159186695.db2.gz ZPLATYUMHXKEJH-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000329795242 336082706 /nfs/dbraw/zinc/08/27/06/336082706.db2.gz CQUDZJZXZHYAPP-IIAWOOMASA-N 2 1 323.485 0.609 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188714672 337199387 /nfs/dbraw/zinc/19/93/87/337199387.db2.gz CIVQEEPIWPWTEI-OAHLLOKOSA-N 2 1 321.465 0.635 20 30 DCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000303906756 340353180 /nfs/dbraw/zinc/35/31/80/340353180.db2.gz WHHKVXYJGNAYAY-LBPRGKRZSA-N 2 1 311.430 0.463 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001566615990 1160097115 /nfs/dbraw/zinc/09/71/15/1160097115.db2.gz WWLDMTJLTZULIT-UHFFFAOYSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001567215515 1160275474 /nfs/dbraw/zinc/27/54/74/1160275474.db2.gz ZSWNFUMCLMNUON-HZPDHXFCSA-N 2 1 309.454 0.993 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001567653610 1160449161 /nfs/dbraw/zinc/44/91/61/1160449161.db2.gz XLQWYKZSOMHDLN-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567914840 1160533006 /nfs/dbraw/zinc/53/30/06/1160533006.db2.gz YOBZPHPOVVPYEW-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567914840 1160533013 /nfs/dbraw/zinc/53/30/13/1160533013.db2.gz YOBZPHPOVVPYEW-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP COc1ccc(F)cc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000186864686 533922708 /nfs/dbraw/zinc/92/27/08/533922708.db2.gz JMDQUAZDGDUYGY-UHFFFAOYSA-N 2 1 324.400 0.961 20 30 DCEDMP C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261950661 526386683 /nfs/dbraw/zinc/38/66/83/526386683.db2.gz HFXFOUQGAJBMQA-IAQYHMDHSA-N 2 1 302.426 0.933 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371349803 526529366 /nfs/dbraw/zinc/52/93/66/526529366.db2.gz MOIPBCWVJPKHKP-UHFFFAOYSA-N 2 1 308.470 0.779 20 30 DCEDMP C=C(C)CNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264118585 526574744 /nfs/dbraw/zinc/57/47/44/526574744.db2.gz UBOKCMXIZSBCDT-MRXNPFEDSA-N 2 1 302.422 0.886 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000269073576 529100479 /nfs/dbraw/zinc/10/04/79/529100479.db2.gz HDCNHYDXYBJUTH-NSHDSACASA-N 2 1 309.374 0.180 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001667836926 1174721561 /nfs/dbraw/zinc/72/15/61/1174721561.db2.gz KSBQWAWMLHQYJV-CVEARBPZSA-N 2 1 307.438 0.483 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001673709572 1175227151 /nfs/dbraw/zinc/22/71/51/1175227151.db2.gz SNDKUIJFOJZLBJ-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977958880 660462255 /nfs/dbraw/zinc/46/22/55/660462255.db2.gz WFFBTDLZTNTVLE-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977958880 660462257 /nfs/dbraw/zinc/46/22/57/660462257.db2.gz WFFBTDLZTNTVLE-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977958880 660462259 /nfs/dbraw/zinc/46/22/59/660462259.db2.gz WFFBTDLZTNTVLE-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977958880 660462261 /nfs/dbraw/zinc/46/22/61/660462261.db2.gz WFFBTDLZTNTVLE-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2cccnc2)N(C)C)C1 ZINC000980501830 660950160 /nfs/dbraw/zinc/95/01/60/660950160.db2.gz DIMZIZXSZGKLNA-HZPDHXFCSA-N 2 1 300.406 0.850 20 30 DCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645335 661188857 /nfs/dbraw/zinc/18/88/57/661188857.db2.gz APJHARVLGWFPHM-PQUAAJSLSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645335 661188858 /nfs/dbraw/zinc/18/88/58/661188858.db2.gz APJHARVLGWFPHM-PQUAAJSLSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645335 661188859 /nfs/dbraw/zinc/18/88/59/661188859.db2.gz APJHARVLGWFPHM-PQUAAJSLSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645335 661188860 /nfs/dbraw/zinc/18/88/60/661188860.db2.gz APJHARVLGWFPHM-PQUAAJSLSA-N 2 1 317.433 0.407 20 30 DCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981646169 661189216 /nfs/dbraw/zinc/18/92/16/661189216.db2.gz IFNVARLTSOSVEB-PQUAAJSLSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646169 661189217 /nfs/dbraw/zinc/18/92/17/661189217.db2.gz IFNVARLTSOSVEB-PQUAAJSLSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646169 661189218 /nfs/dbraw/zinc/18/92/18/661189218.db2.gz IFNVARLTSOSVEB-PQUAAJSLSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001022221049 657567839 /nfs/dbraw/zinc/56/78/39/657567839.db2.gz WEIZZNBBIJOVNV-GUTXKFCHSA-N 2 1 318.446 0.978 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001022221049 657567840 /nfs/dbraw/zinc/56/78/40/657567840.db2.gz WEIZZNBBIJOVNV-GUTXKFCHSA-N 2 1 318.446 0.978 20 30 DCEDMP CC#CCN1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972551992 657761462 /nfs/dbraw/zinc/76/14/62/657761462.db2.gz JIAGSEZMXQHDLY-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023499752 657935471 /nfs/dbraw/zinc/93/54/71/657935471.db2.gz GIJKMXXEOWXXBG-JBCIKUTRSA-N 2 1 317.433 0.311 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023553215 657981530 /nfs/dbraw/zinc/98/15/30/657981530.db2.gz XRGVHSNWQZFWOX-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023553215 657981535 /nfs/dbraw/zinc/98/15/35/657981535.db2.gz XRGVHSNWQZFWOX-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001023757731 658207943 /nfs/dbraw/zinc/20/79/43/658207943.db2.gz NMFHPCQZJWFHCF-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023757731 658207950 /nfs/dbraw/zinc/20/79/50/658207950.db2.gz NMFHPCQZJWFHCF-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757731 658207954 /nfs/dbraw/zinc/20/79/54/658207954.db2.gz NMFHPCQZJWFHCF-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757731 658207959 /nfs/dbraw/zinc/20/79/59/658207959.db2.gz NMFHPCQZJWFHCF-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001023757866 658209760 /nfs/dbraw/zinc/20/97/60/658209760.db2.gz PIACNYPSAITNQD-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023757866 658209763 /nfs/dbraw/zinc/20/97/63/658209763.db2.gz PIACNYPSAITNQD-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757866 658209768 /nfs/dbraw/zinc/20/97/68/658209768.db2.gz PIACNYPSAITNQD-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757866 658209772 /nfs/dbraw/zinc/20/97/72/658209772.db2.gz PIACNYPSAITNQD-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757866 658209775 /nfs/dbraw/zinc/20/97/75/658209775.db2.gz PIACNYPSAITNQD-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021693270 658240472 /nfs/dbraw/zinc/24/04/72/658240472.db2.gz ZGBNSCRSNTZCAC-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021693270 658240477 /nfs/dbraw/zinc/24/04/77/658240477.db2.gz ZGBNSCRSNTZCAC-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295635 658530680 /nfs/dbraw/zinc/53/06/80/658530680.db2.gz WISJNQHWUKRIQN-NVXWUHKLSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972295635 658530685 /nfs/dbraw/zinc/53/06/85/658530685.db2.gz WISJNQHWUKRIQN-NVXWUHKLSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295635 658530692 /nfs/dbraw/zinc/53/06/92/658530692.db2.gz WISJNQHWUKRIQN-NVXWUHKLSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972295635 658530705 /nfs/dbraw/zinc/53/07/05/658530705.db2.gz WISJNQHWUKRIQN-NVXWUHKLSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001021090244 658750412 /nfs/dbraw/zinc/75/04/12/658750412.db2.gz QAVPOHOFJDTWFV-HDJSIYSDSA-N 2 1 317.393 0.152 20 30 DCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970325313 658863213 /nfs/dbraw/zinc/86/32/13/658863213.db2.gz DBIVVCWPPVMVJV-ZBFHGGJFSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970325313 658863214 /nfs/dbraw/zinc/86/32/14/658863214.db2.gz DBIVVCWPPVMVJV-ZBFHGGJFSA-N 2 1 307.438 0.555 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705819 665619341 /nfs/dbraw/zinc/61/93/41/665619341.db2.gz MBQOFHSFGHCOPQ-GJZGRUSLSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705819 665619343 /nfs/dbraw/zinc/61/93/43/665619343.db2.gz MBQOFHSFGHCOPQ-GJZGRUSLSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999355858 665631165 /nfs/dbraw/zinc/63/11/65/665631165.db2.gz YCIRTDUNKSTNBB-HUUCEWRRSA-N 2 1 305.426 0.580 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001027413955 659424717 /nfs/dbraw/zinc/42/47/17/659424717.db2.gz BQYDIOIFJTVLSH-HNNXBMFYSA-N 2 1 317.437 0.614 20 30 DCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982157247 661299855 /nfs/dbraw/zinc/29/98/55/661299855.db2.gz JIXXHJUMMUIMTL-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982157247 661299857 /nfs/dbraw/zinc/29/98/57/661299857.db2.gz JIXXHJUMMUIMTL-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157247 661299860 /nfs/dbraw/zinc/29/98/60/661299860.db2.gz JIXXHJUMMUIMTL-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157247 661299863 /nfs/dbraw/zinc/29/98/63/661299863.db2.gz JIXXHJUMMUIMTL-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592879 661662688 /nfs/dbraw/zinc/66/26/88/661662688.db2.gz UUELVYVSHFJKBS-DOTOQJQBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028592879 661662693 /nfs/dbraw/zinc/66/26/93/661662693.db2.gz UUELVYVSHFJKBS-DOTOQJQBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028592879 661662694 /nfs/dbraw/zinc/66/26/94/661662694.db2.gz UUELVYVSHFJKBS-DOTOQJQBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)CC1 ZINC001000336026 665821943 /nfs/dbraw/zinc/82/19/43/665821943.db2.gz WMABRDOYJWXJCA-MRXNPFEDSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)CC1 ZINC001000336026 665821945 /nfs/dbraw/zinc/82/19/45/665821945.db2.gz WMABRDOYJWXJCA-MRXNPFEDSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895887086 662225861 /nfs/dbraw/zinc/22/58/61/662225861.db2.gz XZGVJQRLGWQEQE-UHFFFAOYSA-N 2 1 305.422 0.265 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262445917 662391492 /nfs/dbraw/zinc/39/14/92/662391492.db2.gz PMEJTMHJJUUYTL-JSGCOSHPSA-N 2 1 300.472 0.768 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000985803644 662515203 /nfs/dbraw/zinc/51/52/03/662515203.db2.gz HSPSPRGKHNRJII-UHFFFAOYSA-N 2 1 301.434 0.888 20 30 DCEDMP C[NH+]=C(NCCN1CCSCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262820025 662585785 /nfs/dbraw/zinc/58/57/85/662585785.db2.gz XUZOSQXBDVMEME-CYBMUJFWSA-N 2 1 311.499 0.437 20 30 DCEDMP C[NH+]=C(NCCN1CCSCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262820025 662585788 /nfs/dbraw/zinc/58/57/88/662585788.db2.gz XUZOSQXBDVMEME-CYBMUJFWSA-N 2 1 311.499 0.437 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941410239 665991914 /nfs/dbraw/zinc/99/19/14/665991914.db2.gz DDFQIOBGAXICIN-KRWDZBQOSA-N 2 1 318.465 0.343 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443457 665995268 /nfs/dbraw/zinc/99/52/68/665995268.db2.gz PUBJGJOMUUUART-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443457 665995270 /nfs/dbraw/zinc/99/52/70/665995270.db2.gz PUBJGJOMUUUART-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)CC[NH+]1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001030330177 664513858 /nfs/dbraw/zinc/51/38/58/664513858.db2.gz QRTLLVCYXIJYRZ-UHFFFAOYSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992120273 664664947 /nfs/dbraw/zinc/66/49/47/664664947.db2.gz AMUPQZWXTDSXFA-SOLBZPMBSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992120273 664664948 /nfs/dbraw/zinc/66/49/48/664664948.db2.gz AMUPQZWXTDSXFA-SOLBZPMBSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992120273 664664949 /nfs/dbraw/zinc/66/49/49/664664949.db2.gz AMUPQZWXTDSXFA-SOLBZPMBSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992120273 664664951 /nfs/dbraw/zinc/66/49/51/664664951.db2.gz AMUPQZWXTDSXFA-SOLBZPMBSA-N 2 1 319.449 0.842 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000941571365 666021392 /nfs/dbraw/zinc/02/13/92/666021392.db2.gz SOATUDKFJFORCL-INIZCTEOSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941567040 666024230 /nfs/dbraw/zinc/02/42/30/666024230.db2.gz PCGQJUOIRYHQHV-NVXWUHKLSA-N 2 1 318.465 0.036 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567040 666024233 /nfs/dbraw/zinc/02/42/33/666024233.db2.gz PCGQJUOIRYHQHV-NVXWUHKLSA-N 2 1 318.465 0.036 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941639423 666033368 /nfs/dbraw/zinc/03/33/68/666033368.db2.gz ROGDDTOULSAKOZ-UHFFFAOYSA-N 2 1 304.438 0.097 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](C[C@H](C)O)CC2)CC1 ZINC001001471971 666056345 /nfs/dbraw/zinc/05/63/45/666056345.db2.gz PNHWOHFUZWQIMI-HNNXBMFYSA-N 2 1 319.449 0.461 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779115 666651135 /nfs/dbraw/zinc/65/11/35/666651135.db2.gz GWIWBQAKACXPAV-MWDXBVQZSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779115 666651136 /nfs/dbraw/zinc/65/11/36/666651136.db2.gz GWIWBQAKACXPAV-MWDXBVQZSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779115 666651138 /nfs/dbraw/zinc/65/11/38/666651138.db2.gz GWIWBQAKACXPAV-MWDXBVQZSA-N 2 1 303.450 0.988 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000996669252 666855825 /nfs/dbraw/zinc/85/58/25/666855825.db2.gz GJWOFSLIVASYIV-INIZCTEOSA-N 2 1 319.453 0.970 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001034045015 666906476 /nfs/dbraw/zinc/90/64/76/666906476.db2.gz HHSRPUAILBBRHO-MRXNPFEDSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCOCC2)CC1 ZINC000861984787 667006542 /nfs/dbraw/zinc/00/65/42/667006542.db2.gz MLLSZHDOAWQASY-KRWDZBQOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCOCC2)CC1 ZINC000861984787 667006547 /nfs/dbraw/zinc/00/65/47/667006547.db2.gz MLLSZHDOAWQASY-KRWDZBQOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984787 667006550 /nfs/dbraw/zinc/00/65/50/667006550.db2.gz MLLSZHDOAWQASY-KRWDZBQOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861984787 667006553 /nfs/dbraw/zinc/00/65/53/667006553.db2.gz MLLSZHDOAWQASY-KRWDZBQOSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001035421985 667328677 /nfs/dbraw/zinc/32/86/77/667328677.db2.gz CPFADRFPTASLIZ-AWEZNQCLSA-N 2 1 322.409 0.743 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001035421985 667328680 /nfs/dbraw/zinc/32/86/80/667328680.db2.gz CPFADRFPTASLIZ-AWEZNQCLSA-N 2 1 322.409 0.743 20 30 DCEDMP COCC[N@@H+](C)CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884192345 667494071 /nfs/dbraw/zinc/49/40/71/667494071.db2.gz CTBWNOOONYXCRY-BBBYJDLNSA-N 2 1 308.426 0.210 20 30 DCEDMP C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[N@H+]1C1CC1 ZINC000884233318 667506162 /nfs/dbraw/zinc/50/61/62/667506162.db2.gz NZCIRSYQRDXSAB-LZLPTKFFSA-N 2 1 302.422 0.867 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000890364092 668121587 /nfs/dbraw/zinc/12/15/87/668121587.db2.gz WEHJLSXDSHOFLC-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000890364092 668121588 /nfs/dbraw/zinc/12/15/88/668121588.db2.gz WEHJLSXDSHOFLC-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000890364092 668121589 /nfs/dbraw/zinc/12/15/89/668121589.db2.gz WEHJLSXDSHOFLC-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000890364092 668121591 /nfs/dbraw/zinc/12/15/91/668121591.db2.gz WEHJLSXDSHOFLC-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000876712750 668492903 /nfs/dbraw/zinc/49/29/03/668492903.db2.gz JIJZOKFJOBAYFF-OLZOCXBDSA-N 2 1 303.834 0.929 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000876712752 668492985 /nfs/dbraw/zinc/49/29/85/668492985.db2.gz JIJZOKFJOBAYFF-STQMWFEESA-N 2 1 303.834 0.929 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1=O ZINC000879596219 669069958 /nfs/dbraw/zinc/06/99/58/669069958.db2.gz JFAWWNZDEFNTSL-MRXNPFEDSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC000949048522 669696284 /nfs/dbraw/zinc/69/62/84/669696284.db2.gz UCENKXZIHZYQKG-OAHLLOKOSA-N 2 1 305.422 0.407 20 30 DCEDMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H]2CCC[C@@H]21 ZINC000796816089 669942980 /nfs/dbraw/zinc/94/29/80/669942980.db2.gz JMZRJEQWSDAGSY-KQTKOKHLSA-N 2 1 318.421 0.975 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000852855019 671175101 /nfs/dbraw/zinc/17/51/01/671175101.db2.gz UERCVAZTHRZVAV-INIZCTEOSA-N 2 1 305.422 0.313 20 30 DCEDMP C[C@@H]1C[N@H+](CCCNC(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852857319 671175770 /nfs/dbraw/zinc/17/57/70/671175770.db2.gz PFVBEIHBABOUQG-GASCZTMLSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCO[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000822952759 671357047 /nfs/dbraw/zinc/35/70/47/671357047.db2.gz YBVNYMILMBXLFD-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCC[NH+](C)CC1 ZINC000303977473 685209829 /nfs/dbraw/zinc/20/98/29/685209829.db2.gz LDQPSKXMTBFCML-INIZCTEOSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303977473 685209834 /nfs/dbraw/zinc/20/98/34/685209834.db2.gz LDQPSKXMTBFCML-INIZCTEOSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303977473 685209841 /nfs/dbraw/zinc/20/98/41/685209841.db2.gz LDQPSKXMTBFCML-INIZCTEOSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCN(C)CC1 ZINC000303977473 685209850 /nfs/dbraw/zinc/20/98/50/685209850.db2.gz LDQPSKXMTBFCML-INIZCTEOSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCN(C)CC1 ZINC000303977473 685209857 /nfs/dbraw/zinc/20/98/57/685209857.db2.gz LDQPSKXMTBFCML-INIZCTEOSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303977473 685209863 /nfs/dbraw/zinc/20/98/63/685209863.db2.gz LDQPSKXMTBFCML-INIZCTEOSA-N 3 1 324.517 0.403 20 30 DCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303977473 685209869 /nfs/dbraw/zinc/20/98/69/685209869.db2.gz LDQPSKXMTBFCML-INIZCTEOSA-N 3 1 324.517 0.403 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038259849 694029138 /nfs/dbraw/zinc/02/91/38/694029138.db2.gz KOUSYUCKOIOFQM-CQSZACIVSA-N 2 1 305.426 0.825 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038259849 694029144 /nfs/dbraw/zinc/02/91/44/694029144.db2.gz KOUSYUCKOIOFQM-CQSZACIVSA-N 2 1 305.426 0.825 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266664 687495053 /nfs/dbraw/zinc/49/50/53/687495053.db2.gz BBNDSHCQQAAUCC-DZGCQCFKSA-N 2 1 300.362 0.543 20 30 DCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000964422364 689240977 /nfs/dbraw/zinc/24/09/77/689240977.db2.gz KZYRYKYKAKGOSS-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000964422364 689240982 /nfs/dbraw/zinc/24/09/82/689240982.db2.gz KZYRYKYKAKGOSS-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008827935 690931541 /nfs/dbraw/zinc/93/15/41/690931541.db2.gz MFXRVBQMALLQIC-INIZCTEOSA-N 2 1 317.437 0.662 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008827935 690931543 /nfs/dbraw/zinc/93/15/43/690931543.db2.gz MFXRVBQMALLQIC-INIZCTEOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014709168 692077815 /nfs/dbraw/zinc/07/78/15/692077815.db2.gz AVTZBOTXLXGXKR-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014709168 692077818 /nfs/dbraw/zinc/07/78/18/692077818.db2.gz AVTZBOTXLXGXKR-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014709168 692077821 /nfs/dbraw/zinc/07/78/21/692077821.db2.gz AVTZBOTXLXGXKR-RDJZCZTQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015324184 692264469 /nfs/dbraw/zinc/26/44/69/692264469.db2.gz MQDVYNYCWACMQN-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015324184 692264470 /nfs/dbraw/zinc/26/44/70/692264470.db2.gz MQDVYNYCWACMQN-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015324184 692264476 /nfs/dbraw/zinc/26/44/76/692264476.db2.gz MQDVYNYCWACMQN-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706743 692407981 /nfs/dbraw/zinc/40/79/81/692407981.db2.gz XMLZGMDQCBMESS-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706743 692407984 /nfs/dbraw/zinc/40/79/84/692407984.db2.gz XMLZGMDQCBMESS-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016554205 692718899 /nfs/dbraw/zinc/71/88/99/692718899.db2.gz XMBLUZQMLYKFQO-LSDHHAIUSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016554205 692718904 /nfs/dbraw/zinc/71/89/04/692718904.db2.gz XMBLUZQMLYKFQO-LSDHHAIUSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCOC)CC2 ZINC001016669599 692743192 /nfs/dbraw/zinc/74/31/92/692743192.db2.gz LFJHNYCKPGMBGP-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCOC)CC2 ZINC001016669599 692743195 /nfs/dbraw/zinc/74/31/95/692743195.db2.gz LFJHNYCKPGMBGP-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccns2)C1 ZINC001018986143 693308402 /nfs/dbraw/zinc/30/84/02/693308402.db2.gz SALGBEYRQFSXBR-ZFWWWQNUSA-N 2 1 318.446 0.931 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccns2)C1 ZINC001018986143 693308406 /nfs/dbraw/zinc/30/84/06/693308406.db2.gz SALGBEYRQFSXBR-ZFWWWQNUSA-N 2 1 318.446 0.931 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001040882764 694625828 /nfs/dbraw/zinc/62/58/28/694625828.db2.gz KOMASOVKEYSMRH-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983107 694691293 /nfs/dbraw/zinc/69/12/93/694691293.db2.gz LJDYTMMKOLEEQQ-HNNXBMFYSA-N 2 1 312.417 0.921 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983107 694691294 /nfs/dbraw/zinc/69/12/94/694691294.db2.gz LJDYTMMKOLEEQQ-HNNXBMFYSA-N 2 1 312.417 0.921 20 30 DCEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073564501 694743714 /nfs/dbraw/zinc/74/37/14/694743714.db2.gz ZXXKFQFKZZHPKF-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073564501 694743716 /nfs/dbraw/zinc/74/37/16/694743716.db2.gz ZXXKFQFKZZHPKF-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564501 694743717 /nfs/dbraw/zinc/74/37/17/694743717.db2.gz ZXXKFQFKZZHPKF-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564501 694743718 /nfs/dbraw/zinc/74/37/18/694743718.db2.gz ZXXKFQFKZZHPKF-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677897 694766229 /nfs/dbraw/zinc/76/62/29/694766229.db2.gz VUCSDUZVDXGYPQ-INIZCTEOSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365849 695017122 /nfs/dbraw/zinc/01/71/22/695017122.db2.gz QAPKZHOUNUNKSX-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365849 695017123 /nfs/dbraw/zinc/01/71/23/695017123.db2.gz QAPKZHOUNUNKSX-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007560 695123812 /nfs/dbraw/zinc/12/38/12/695123812.db2.gz RQQDLOKCLYNMST-ARFHVFGLSA-N 2 1 307.438 0.456 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001570404423 1162505488 /nfs/dbraw/zinc/50/54/88/1162505488.db2.gz XEUYQXLZUYCDQI-UHFFFAOYSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001571001488 1162665881 /nfs/dbraw/zinc/66/58/81/1162665881.db2.gz JSBXKVLOCFTUPZ-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001571443925 1162759542 /nfs/dbraw/zinc/75/95/42/1162759542.db2.gz BCQZAGIWMHIRBN-IRXDYDNUSA-N 2 1 317.433 0.769 20 30 DCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001571448670 1162763528 /nfs/dbraw/zinc/76/35/28/1162763528.db2.gz ZRJAUMDTVDNXMN-JKSUJKDBSA-N 2 1 305.422 0.932 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001571462985 1162769384 /nfs/dbraw/zinc/76/93/84/1162769384.db2.gz NDXRXPUSMMBQQE-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC001571564440 1162812735 /nfs/dbraw/zinc/81/27/35/1162812735.db2.gz CTVRALZUKNIMRY-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cncn1C ZINC001772517175 1157409758 /nfs/dbraw/zinc/40/97/58/1157409758.db2.gz SKGXHXVIPHBJMD-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cncn1C ZINC001772517175 1157409761 /nfs/dbraw/zinc/40/97/61/1157409761.db2.gz SKGXHXVIPHBJMD-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001691352526 1157650915 /nfs/dbraw/zinc/65/09/15/1157650915.db2.gz ZNVGYCPJCWEXGS-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001752872182 1158422328 /nfs/dbraw/zinc/42/23/28/1158422328.db2.gz AZFWNOWIFUZXDM-ZIAGYGMSSA-N 2 1 310.442 0.256 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001566615990 1160097106 /nfs/dbraw/zinc/09/71/06/1160097106.db2.gz WWLDMTJLTZULIT-UHFFFAOYSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001566871804 1160173456 /nfs/dbraw/zinc/17/34/56/1160173456.db2.gz LGLYYKITDUNVKB-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001566890460 1160178113 /nfs/dbraw/zinc/17/81/13/1160178113.db2.gz RRFPJILZMWLISF-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCOCC)C1 ZINC001567128844 1160251505 /nfs/dbraw/zinc/25/15/05/1160251505.db2.gz WKUAYTQETUNWLW-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCOCC)C1 ZINC001567128844 1160251512 /nfs/dbraw/zinc/25/15/12/1160251512.db2.gz WKUAYTQETUNWLW-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567203466 1160272788 /nfs/dbraw/zinc/27/27/88/1160272788.db2.gz SOOJKENNJVEMEB-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567203466 1160272793 /nfs/dbraw/zinc/27/27/93/1160272793.db2.gz SOOJKENNJVEMEB-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567203466 1160272797 /nfs/dbraw/zinc/27/27/97/1160272797.db2.gz SOOJKENNJVEMEB-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001567203466 1160272803 /nfs/dbraw/zinc/27/28/03/1160272803.db2.gz SOOJKENNJVEMEB-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001567477038 1160384196 /nfs/dbraw/zinc/38/41/96/1160384196.db2.gz BFFVBKVLMZGZCJ-MRXNPFEDSA-N 2 1 316.405 0.437 20 30 DCEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001567477038 1160384203 /nfs/dbraw/zinc/38/42/03/1160384203.db2.gz BFFVBKVLMZGZCJ-MRXNPFEDSA-N 2 1 316.405 0.437 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#CCOC)C2)CC1 ZINC001567884595 1160515288 /nfs/dbraw/zinc/51/52/88/1160515288.db2.gz VARZIGLISGMVMS-KRWDZBQOSA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CCOC)C2)CC1 ZINC001567884595 1160515293 /nfs/dbraw/zinc/51/52/93/1160515293.db2.gz VARZIGLISGMVMS-KRWDZBQOSA-N 2 1 317.433 0.172 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001568415571 1160643079 /nfs/dbraw/zinc/64/30/79/1160643079.db2.gz YJWRJDVJOBAIMT-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001568538157 1160672811 /nfs/dbraw/zinc/67/28/11/1160672811.db2.gz WUWWBGNUVAKLKZ-DLBZAZTESA-N 2 1 321.465 0.997 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC#CCOC)CC[N@H+]1C ZINC001569204242 1160977089 /nfs/dbraw/zinc/97/70/89/1160977089.db2.gz HCXRERPERJQZND-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001569567562 1161151105 /nfs/dbraw/zinc/15/11/05/1161151105.db2.gz YVFSMZUJJHVSDA-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001569626261 1161166895 /nfs/dbraw/zinc/16/68/95/1161166895.db2.gz JWQHTPJVNOVIQJ-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569829342 1161280809 /nfs/dbraw/zinc/28/08/09/1161280809.db2.gz XHNPMTMHMQTMEO-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001569883914 1161293872 /nfs/dbraw/zinc/29/38/72/1161293872.db2.gz HWXQMGFJAQBBPE-MRXNPFEDSA-N 2 1 308.470 0.827 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001570370069 1161583807 /nfs/dbraw/zinc/58/38/07/1161583807.db2.gz NVMGFQNGWVPBKI-AWEZNQCLSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3n2CC[NH2+][C@H]3C)C1 ZINC001574673142 1163738367 /nfs/dbraw/zinc/73/83/67/1163738367.db2.gz HUQZGXSTUMBXJE-UONOGXRCSA-N 2 1 300.406 0.980 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3n2CC[NH2+][C@H]3C)C1 ZINC001574673142 1163738372 /nfs/dbraw/zinc/73/83/72/1163738372.db2.gz HUQZGXSTUMBXJE-UONOGXRCSA-N 2 1 300.406 0.980 20 30 DCEDMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C2 ZINC001578842637 1165138163 /nfs/dbraw/zinc/13/81/63/1165138163.db2.gz QSEBCZMHNBKYIM-XJIUQZFPSA-N 2 1 321.421 0.644 20 30 DCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC[C@@H]21 ZINC001646151429 1172275151 /nfs/dbraw/zinc/27/51/51/1172275151.db2.gz HILLAIXOYUASMG-GQGDVANPSA-N 2 1 302.422 0.678 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001646794146 1172536438 /nfs/dbraw/zinc/53/64/38/1172536438.db2.gz BUBABZMXICYNQI-HZMBPMFUSA-N 2 1 309.801 0.453 20 30 DCEDMP C#CCC[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001656860126 1173889960 /nfs/dbraw/zinc/88/99/60/1173889960.db2.gz NMUVEBTWMJIXRC-KRWDZBQOSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661016312 1174086172 /nfs/dbraw/zinc/08/61/72/1174086172.db2.gz YTLACLUZPBUNRC-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661016312 1174086179 /nfs/dbraw/zinc/08/61/79/1174086179.db2.gz YTLACLUZPBUNRC-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001663620968 1174335142 /nfs/dbraw/zinc/33/51/42/1174335142.db2.gz SUPQUWDUJOGOCM-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001663620968 1174335147 /nfs/dbraw/zinc/33/51/47/1174335147.db2.gz SUPQUWDUJOGOCM-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001663620968 1174335155 /nfs/dbraw/zinc/33/51/55/1174335155.db2.gz SUPQUWDUJOGOCM-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CCN1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001665023056 1174474578 /nfs/dbraw/zinc/47/45/78/1174474578.db2.gz GEPCIGNRQGSMRI-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001665023056 1174474584 /nfs/dbraw/zinc/47/45/84/1174474584.db2.gz GEPCIGNRQGSMRI-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001665023056 1174474587 /nfs/dbraw/zinc/47/45/87/1174474587.db2.gz GEPCIGNRQGSMRI-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001665023056 1174474592 /nfs/dbraw/zinc/47/45/92/1174474592.db2.gz GEPCIGNRQGSMRI-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001665023056 1174474597 /nfs/dbraw/zinc/47/45/97/1174474597.db2.gz GEPCIGNRQGSMRI-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC#CC[NH+](C)C)C[C@@H](C)O1 ZINC001666372229 1174600924 /nfs/dbraw/zinc/60/09/24/1174600924.db2.gz XSZSMLGRQWIYHW-HUUCEWRRSA-N 2 1 324.469 0.738 20 30 DCEDMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001671867544 1175040209 /nfs/dbraw/zinc/04/02/09/1175040209.db2.gz DHGLDUFQLRFUNW-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001671867544 1175040215 /nfs/dbraw/zinc/04/02/15/1175040215.db2.gz DHGLDUFQLRFUNW-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001672468189 1175110484 /nfs/dbraw/zinc/11/04/84/1175110484.db2.gz NNZYDCWAULMNLO-UHFFFAOYSA-N 2 1 319.453 0.938 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCC)C1 ZINC001673675472 1175222145 /nfs/dbraw/zinc/22/21/45/1175222145.db2.gz AEHMLPCXXGROAC-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCC)C1 ZINC001673675472 1175222148 /nfs/dbraw/zinc/22/21/48/1175222148.db2.gz AEHMLPCXXGROAC-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001673671878 1175222232 /nfs/dbraw/zinc/22/22/32/1175222232.db2.gz QGPPYRCTICKVHM-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001673709573 1175226854 /nfs/dbraw/zinc/22/68/54/1175226854.db2.gz SNDKUIJFOJZLBJ-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001674925894 1175308719 /nfs/dbraw/zinc/30/87/19/1175308719.db2.gz REKGTSQHZJUBOA-ZBFHGGJFSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001689210510 1176744261 /nfs/dbraw/zinc/74/42/61/1176744261.db2.gz LBXUMGCIWQWNMM-QGZVFWFLSA-N 2 1 321.465 0.781 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001689807426 1177065124 /nfs/dbraw/zinc/06/51/24/1177065124.db2.gz UWCYOOACIOVKSY-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001689890956 1177105473 /nfs/dbraw/zinc/10/54/73/1177105473.db2.gz KYAYNPNBWRWLOJ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001690063339 1177157561 /nfs/dbraw/zinc/15/75/61/1177157561.db2.gz ZAHVEOSRXGUAOF-MRXNPFEDSA-N 2 1 308.470 0.781 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001690584852 1177275304 /nfs/dbraw/zinc/27/53/04/1177275304.db2.gz UTWUJJRFOMSBOT-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001691997236 1177398772 /nfs/dbraw/zinc/39/87/72/1177398772.db2.gz BDQQUMOEUDBJEM-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001691997236 1177398777 /nfs/dbraw/zinc/39/87/77/1177398777.db2.gz BDQQUMOEUDBJEM-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001691997236 1177398783 /nfs/dbraw/zinc/39/87/83/1177398783.db2.gz BDQQUMOEUDBJEM-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001691997236 1177398790 /nfs/dbraw/zinc/39/87/90/1177398790.db2.gz BDQQUMOEUDBJEM-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001698650905 1177600728 /nfs/dbraw/zinc/60/07/28/1177600728.db2.gz FBMNRJIGGXUTEP-MAUKXSAKSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001699017431 1177773736 /nfs/dbraw/zinc/77/37/36/1177773736.db2.gz BAPPJWCADUAHPC-OCCSQVGLSA-N 2 1 304.394 0.858 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001699316715 1178060947 /nfs/dbraw/zinc/06/09/47/1178060947.db2.gz UWJYWFWCAGSZBA-MQTUYHIVSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccns1 ZINC001699407242 1178123659 /nfs/dbraw/zinc/12/36/59/1178123659.db2.gz KEVRGGCWGZKFMV-JSGCOSHPSA-N 2 1 306.435 0.835 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccns1 ZINC001699407242 1178123664 /nfs/dbraw/zinc/12/36/64/1178123664.db2.gz KEVRGGCWGZKFMV-JSGCOSHPSA-N 2 1 306.435 0.835 20 30 DCEDMP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001699529458 1178183953 /nfs/dbraw/zinc/18/39/53/1178183953.db2.gz NOMGWMZFADUTRX-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001699654667 1178240782 /nfs/dbraw/zinc/24/07/82/1178240782.db2.gz CCBNDESYYIROAB-JKSUJKDBSA-N 2 1 319.449 0.892 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001699798718 1178289158 /nfs/dbraw/zinc/28/91/58/1178289158.db2.gz KABPVSIXMQIFSC-IAGOWNOFSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001700321400 1178581889 /nfs/dbraw/zinc/58/18/89/1178581889.db2.gz ZYQAJVDSTWLYCG-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001700321400 1178581893 /nfs/dbraw/zinc/58/18/93/1178581893.db2.gz ZYQAJVDSTWLYCG-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001700321400 1178581897 /nfs/dbraw/zinc/58/18/97/1178581897.db2.gz ZYQAJVDSTWLYCG-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001700321400 1178581900 /nfs/dbraw/zinc/58/19/00/1178581900.db2.gz ZYQAJVDSTWLYCG-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(Cl)C[N@H+](C)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001700705989 1178715307 /nfs/dbraw/zinc/71/53/07/1178715307.db2.gz OFPUQDTWIIHECF-UHFFFAOYSA-N 2 1 315.845 0.899 20 30 DCEDMP C=C(Cl)C[N@@H+](C)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001700705989 1178715311 /nfs/dbraw/zinc/71/53/11/1178715311.db2.gz OFPUQDTWIIHECF-UHFFFAOYSA-N 2 1 315.845 0.899 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001707088214 1180415780 /nfs/dbraw/zinc/41/57/80/1180415780.db2.gz BXAFBMMHTVTUFJ-RBSFLKMASA-N 2 1 322.453 0.115 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707208814 1180433818 /nfs/dbraw/zinc/43/38/18/1180433818.db2.gz MPPXFLRQWJLNIH-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713134871 1180692568 /nfs/dbraw/zinc/69/25/68/1180692568.db2.gz WJTYBGRNEBFQSJ-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001713159084 1180701287 /nfs/dbraw/zinc/70/12/87/1180701287.db2.gz OHTFURNHDDTEQI-RBSFLKMASA-N 2 1 322.453 0.398 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713321450 1180767904 /nfs/dbraw/zinc/76/79/04/1180767904.db2.gz PFIPBLMLNMNNDI-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713517189 1180888457 /nfs/dbraw/zinc/88/84/57/1180888457.db2.gz FDFWGQWQFMOUPH-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713517189 1180888463 /nfs/dbraw/zinc/88/84/63/1180888463.db2.gz FDFWGQWQFMOUPH-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713517189 1180888469 /nfs/dbraw/zinc/88/84/69/1180888469.db2.gz FDFWGQWQFMOUPH-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCOC)C1 ZINC001714071555 1181233313 /nfs/dbraw/zinc/23/33/13/1181233313.db2.gz QPDXPUAEINSRRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCOC)C1 ZINC001714071555 1181233320 /nfs/dbraw/zinc/23/33/20/1181233320.db2.gz QPDXPUAEINSRRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001714255254 1181296238 /nfs/dbraw/zinc/29/62/38/1181296238.db2.gz UZILXYUHAZSSGN-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001714255254 1181296242 /nfs/dbraw/zinc/29/62/42/1181296242.db2.gz UZILXYUHAZSSGN-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC001714473889 1181380920 /nfs/dbraw/zinc/38/09/20/1181380920.db2.gz ZSTJIEPHBPWCDY-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC001714473889 1181380926 /nfs/dbraw/zinc/38/09/26/1181380926.db2.gz ZSTJIEPHBPWCDY-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001714599915 1181433405 /nfs/dbraw/zinc/43/34/05/1181433405.db2.gz RVPSVKZERTUZLU-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001714599915 1181433408 /nfs/dbraw/zinc/43/34/08/1181433408.db2.gz RVPSVKZERTUZLU-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+](CCCNC(=O)CC[NH+]1CCOCC1)C(C)C ZINC001714829184 1181566551 /nfs/dbraw/zinc/56/65/51/1181566551.db2.gz MVVPVEPOUDOWFQ-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+](CCCNC(=O)CC[NH+]1CCOCC1)C(C)C ZINC001714829184 1181566557 /nfs/dbraw/zinc/56/65/57/1181566557.db2.gz MVVPVEPOUDOWFQ-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001715121692 1181695373 /nfs/dbraw/zinc/69/53/73/1181695373.db2.gz AXBFZKPDBZHLIQ-WBVHZDCISA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001715121692 1181695378 /nfs/dbraw/zinc/69/53/78/1181695378.db2.gz AXBFZKPDBZHLIQ-WBVHZDCISA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001715396418 1181800491 /nfs/dbraw/zinc/80/04/91/1181800491.db2.gz YGXFGOAFOHIRME-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001715396418 1181800499 /nfs/dbraw/zinc/80/04/99/1181800499.db2.gz YGXFGOAFOHIRME-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCCCC1 ZINC001715588338 1181877768 /nfs/dbraw/zinc/87/77/68/1181877768.db2.gz DJBPXUVPUJPBBK-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCCCC1 ZINC001715588338 1181877773 /nfs/dbraw/zinc/87/77/73/1181877773.db2.gz DJBPXUVPUJPBBK-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001715875904 1182069385 /nfs/dbraw/zinc/06/93/85/1182069385.db2.gz SRNVIEPZSFPGLU-VOTSOKGWSA-N 2 1 309.454 0.876 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C(C)C ZINC001715933481 1182107990 /nfs/dbraw/zinc/10/79/90/1182107990.db2.gz AFLQMLXSNLGXOW-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C(C)C ZINC001715933481 1182107993 /nfs/dbraw/zinc/10/79/93/1182107993.db2.gz AFLQMLXSNLGXOW-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCOCC1 ZINC001715934655 1182108963 /nfs/dbraw/zinc/10/89/63/1182108963.db2.gz KZCSUNTWHLZVTG-ZBFHGGJFSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCOCC1 ZINC001715934655 1182108965 /nfs/dbraw/zinc/10/89/65/1182108965.db2.gz KZCSUNTWHLZVTG-ZBFHGGJFSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001716072891 1182173062 /nfs/dbraw/zinc/17/30/62/1182173062.db2.gz YBSSMQDAUMRNMV-JKSUJKDBSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001716506278 1182419256 /nfs/dbraw/zinc/41/92/56/1182419256.db2.gz YWVKLTUBCCMDGB-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001716920539 1182574582 /nfs/dbraw/zinc/57/45/82/1182574582.db2.gz XRXHEHWDGKVYQR-SJLPKXTDSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716920539 1182574585 /nfs/dbraw/zinc/57/45/85/1182574585.db2.gz XRXHEHWDGKVYQR-SJLPKXTDSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716920539 1182574591 /nfs/dbraw/zinc/57/45/91/1182574591.db2.gz XRXHEHWDGKVYQR-SJLPKXTDSA-N 2 1 319.449 0.580 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716928504 1182582665 /nfs/dbraw/zinc/58/26/65/1182582665.db2.gz CREUDUFUOMLGQL-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717478790 1182852284 /nfs/dbraw/zinc/85/22/84/1182852284.db2.gz ABCZJRJHWBCWCA-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001717626917 1182930321 /nfs/dbraw/zinc/93/03/21/1182930321.db2.gz PVDRIUYHSUELGB-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001717626917 1182930326 /nfs/dbraw/zinc/93/03/26/1182930326.db2.gz PVDRIUYHSUELGB-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001717626917 1182930331 /nfs/dbraw/zinc/93/03/31/1182930331.db2.gz PVDRIUYHSUELGB-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001753000940 1184259556 /nfs/dbraw/zinc/25/95/56/1184259556.db2.gz WNNKKYAJWPGMPM-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724641567 1184489872 /nfs/dbraw/zinc/48/98/72/1184489872.db2.gz OVNCUFYNTHLOLG-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001724672493 1184510155 /nfs/dbraw/zinc/51/01/55/1184510155.db2.gz TXQSCKQCUOBDCU-HOTGVXAUSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001724811803 1184567275 /nfs/dbraw/zinc/56/72/75/1184567275.db2.gz PSUIWLFGSKBLRX-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001724847771 1184590780 /nfs/dbraw/zinc/59/07/80/1184590780.db2.gz KRZDFXVPJOFUPY-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001724847771 1184590787 /nfs/dbraw/zinc/59/07/87/1184590787.db2.gz KRZDFXVPJOFUPY-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001725022953 1184660682 /nfs/dbraw/zinc/66/06/82/1184660682.db2.gz XGYCXQFCCSDEKB-UHFFFAOYSA-N 2 1 304.394 0.158 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001725197200 1184718385 /nfs/dbraw/zinc/71/83/85/1184718385.db2.gz SUWATHHMSURCTH-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001725715964 1184965565 /nfs/dbraw/zinc/96/55/65/1184965565.db2.gz WBVQVJYMOLTTBQ-GJZGRUSLSA-N 2 1 320.437 0.781 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001725715964 1184965569 /nfs/dbraw/zinc/96/55/69/1184965569.db2.gz WBVQVJYMOLTTBQ-GJZGRUSLSA-N 2 1 320.437 0.781 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725769228 1184987480 /nfs/dbraw/zinc/98/74/80/1184987480.db2.gz IRUQTDGEBDKIQA-SJORKVTESA-N 2 1 317.433 0.722 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001731411172 1185323676 /nfs/dbraw/zinc/32/36/76/1185323676.db2.gz OHPZRSYYBNLWFX-OAHLLOKOSA-N 2 1 304.394 0.326 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001732042510 1185643086 /nfs/dbraw/zinc/64/30/86/1185643086.db2.gz BCZWGTMBADFMHW-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732042510 1185643090 /nfs/dbraw/zinc/64/30/90/1185643090.db2.gz BCZWGTMBADFMHW-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732042510 1185643095 /nfs/dbraw/zinc/64/30/95/1185643095.db2.gz BCZWGTMBADFMHW-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001732042804 1185644632 /nfs/dbraw/zinc/64/46/32/1185644632.db2.gz ZAMMPWIDTRHFFO-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001732042804 1185644636 /nfs/dbraw/zinc/64/46/36/1185644636.db2.gz ZAMMPWIDTRHFFO-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001732042804 1185644641 /nfs/dbraw/zinc/64/46/41/1185644641.db2.gz ZAMMPWIDTRHFFO-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001732042804 1185644646 /nfs/dbraw/zinc/64/46/46/1185644646.db2.gz ZAMMPWIDTRHFFO-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]C[C@H](C)O)CC1 ZINC001732296489 1185759327 /nfs/dbraw/zinc/75/93/27/1185759327.db2.gz XKYIBLNSLJLIOG-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]C[C@H](C)O)CC1 ZINC001732296489 1185759339 /nfs/dbraw/zinc/75/93/39/1185759339.db2.gz XKYIBLNSLJLIOG-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001733014121 1186103920 /nfs/dbraw/zinc/10/39/20/1186103920.db2.gz YNWPMEZNBNJZNE-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001733176057 1186170682 /nfs/dbraw/zinc/17/06/82/1186170682.db2.gz ZYGXCHNTCNCHTH-LSDHHAIUSA-N 2 1 322.453 0.257 20 30 DCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001733578493 1186340157 /nfs/dbraw/zinc/34/01/57/1186340157.db2.gz FCCPHLAIALLZDZ-MRXNPFEDSA-N 2 1 321.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001733719348 1186414326 /nfs/dbraw/zinc/41/43/26/1186414326.db2.gz ZQJYPMGHSTTZGL-AWEZNQCLSA-N 2 1 322.453 0.401 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001733860369 1186478413 /nfs/dbraw/zinc/47/84/13/1186478413.db2.gz VTJOLKJZTCSOGH-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001734368961 1186628925 /nfs/dbraw/zinc/62/89/25/1186628925.db2.gz MYTXFUGQMVMPAG-UONOGXRCSA-N 2 1 306.410 0.487 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734417144 1186647699 /nfs/dbraw/zinc/64/76/99/1186647699.db2.gz POGWEXDMLCYDSE-KGLIPLIRSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001734504211 1186667947 /nfs/dbraw/zinc/66/79/47/1186667947.db2.gz MTOOSCJDPWYMPH-OAHLLOKOSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001734540621 1186683556 /nfs/dbraw/zinc/68/35/56/1186683556.db2.gz CBSXTKCCPGHYCT-HNNXBMFYSA-N 2 1 320.437 0.781 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001734540621 1186683558 /nfs/dbraw/zinc/68/35/58/1186683558.db2.gz CBSXTKCCPGHYCT-HNNXBMFYSA-N 2 1 320.437 0.781 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001734596231 1186699456 /nfs/dbraw/zinc/69/94/56/1186699456.db2.gz JHTOMFUFERQRQN-YMAMQOFZSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001752366319 1188418704 /nfs/dbraw/zinc/41/87/04/1188418704.db2.gz WNRXZUOYTRBBBF-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001752434869 1188422164 /nfs/dbraw/zinc/42/21/64/1188422164.db2.gz KLZJAFFLFKGWMN-OAHLLOKOSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001752787204 1188441416 /nfs/dbraw/zinc/44/14/16/1188441416.db2.gz IRYUPGWMPSXGLN-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001752787204 1188441417 /nfs/dbraw/zinc/44/14/17/1188441417.db2.gz IRYUPGWMPSXGLN-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001752824165 1188447194 /nfs/dbraw/zinc/44/71/94/1188447194.db2.gz QNPHMMMFNIERDA-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001752824165 1188447196 /nfs/dbraw/zinc/44/71/96/1188447196.db2.gz QNPHMMMFNIERDA-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2C)C1=O ZINC001754295611 1188812218 /nfs/dbraw/zinc/81/22/18/1188812218.db2.gz DXEPLRBEJSBHSE-GXTWGEPZSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC2CCC2)CC1 ZINC001754515817 1188872041 /nfs/dbraw/zinc/87/20/41/1188872041.db2.gz CRJASEKTSVFUKI-INIZCTEOSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC2CCC2)CC1 ZINC001754515817 1188872045 /nfs/dbraw/zinc/87/20/45/1188872045.db2.gz CRJASEKTSVFUKI-INIZCTEOSA-N 2 1 319.449 0.892 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC#CCOC)C2 ZINC001754784034 1188935882 /nfs/dbraw/zinc/93/58/82/1188935882.db2.gz WYFIPOADCRUCFO-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC#CCOC)C2 ZINC001754784034 1188935883 /nfs/dbraw/zinc/93/58/83/1188935883.db2.gz WYFIPOADCRUCFO-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC#CCOC)C2 ZINC001754784034 1188935885 /nfs/dbraw/zinc/93/58/85/1188935885.db2.gz WYFIPOADCRUCFO-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001754857552 1188952173 /nfs/dbraw/zinc/95/21/73/1188952173.db2.gz JWDLYHNPNBQKEP-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755033830 1189002492 /nfs/dbraw/zinc/00/24/92/1189002492.db2.gz FYGQBYGZEAHJJJ-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001755160074 1189041214 /nfs/dbraw/zinc/04/12/14/1189041214.db2.gz FGAOVFPPRYYYBF-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCC(C)C ZINC001755801956 1189221572 /nfs/dbraw/zinc/22/15/72/1189221572.db2.gz MMQCBIAAZQXUTC-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCC(C)C ZINC001755801956 1189221577 /nfs/dbraw/zinc/22/15/77/1189221577.db2.gz MMQCBIAAZQXUTC-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC(C)C ZINC001755801956 1189221582 /nfs/dbraw/zinc/22/15/82/1189221582.db2.gz MMQCBIAAZQXUTC-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC(C)C ZINC001755801956 1189221587 /nfs/dbraw/zinc/22/15/87/1189221587.db2.gz MMQCBIAAZQXUTC-SJORKVTESA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001098524623 746959366 /nfs/dbraw/zinc/95/93/66/746959366.db2.gz NCNOJDMPAKQNCA-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524623 746959374 /nfs/dbraw/zinc/95/93/74/746959374.db2.gz NCNOJDMPAKQNCA-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524623 746959381 /nfs/dbraw/zinc/95/93/81/746959381.db2.gz NCNOJDMPAKQNCA-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098533010 747023036 /nfs/dbraw/zinc/02/30/36/747023036.db2.gz OOTAQJMLYUCSBK-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098533010 747023041 /nfs/dbraw/zinc/02/30/41/747023041.db2.gz OOTAQJMLYUCSBK-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098533010 747023048 /nfs/dbraw/zinc/02/30/48/747023048.db2.gz OOTAQJMLYUCSBK-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001100446979 747055761 /nfs/dbraw/zinc/05/57/61/747055761.db2.gz JNZALESVDOJGPL-YMAMQOFZSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100872572 748323663 /nfs/dbraw/zinc/32/36/63/748323663.db2.gz AGHCWNKTDIMYOX-NFOMZHRRSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372723 748641067 /nfs/dbraw/zinc/64/10/67/748641067.db2.gz UTQWFAOECKRSMZ-UHFFFAOYSA-N 2 1 304.398 0.033 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@H]1C ZINC001071514935 761920486 /nfs/dbraw/zinc/92/04/86/761920486.db2.gz PTRDMETUYLJESA-CABCVRRESA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@H]1C ZINC001071514935 761920492 /nfs/dbraw/zinc/92/04/92/761920492.db2.gz PTRDMETUYLJESA-CABCVRRESA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001088429391 749438182 /nfs/dbraw/zinc/43/81/82/749438182.db2.gz PGWGFIVONRDXNG-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001088429391 749438185 /nfs/dbraw/zinc/43/81/85/749438185.db2.gz PGWGFIVONRDXNG-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241294 749662680 /nfs/dbraw/zinc/66/26/80/749662680.db2.gz VZTLAOFUJHACHB-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241294 749662685 /nfs/dbraw/zinc/66/26/85/749662685.db2.gz VZTLAOFUJHACHB-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001112857735 761978612 /nfs/dbraw/zinc/97/86/12/761978612.db2.gz XGXYLLYRGPLBGN-MRXNPFEDSA-N 2 1 307.438 0.675 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131800 750216719 /nfs/dbraw/zinc/21/67/19/750216719.db2.gz KZSGWHDLIGMWMF-ARFHVFGLSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131800 750216713 /nfs/dbraw/zinc/21/67/13/750216713.db2.gz KZSGWHDLIGMWMF-ARFHVFGLSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131800 750216714 /nfs/dbraw/zinc/21/67/14/750216714.db2.gz KZSGWHDLIGMWMF-ARFHVFGLSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105942025 750592129 /nfs/dbraw/zinc/59/21/29/750592129.db2.gz VDSUMPVRODJNEV-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203507782 751183101 /nfs/dbraw/zinc/18/31/01/751183101.db2.gz VGODNWDJLVJHRA-HZPDHXFCSA-N 2 1 319.449 0.749 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577578 751193821 /nfs/dbraw/zinc/19/38/21/751193821.db2.gz NLCZVVCLTGNWAN-BZUAXINKSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577578 751193828 /nfs/dbraw/zinc/19/38/28/751193828.db2.gz NLCZVVCLTGNWAN-BZUAXINKSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001077762169 752475870 /nfs/dbraw/zinc/47/58/70/752475870.db2.gz LOOYFAKLCLUUGV-ZIAGYGMSSA-N 2 1 306.410 0.744 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001077762169 752475876 /nfs/dbraw/zinc/47/58/76/752475876.db2.gz LOOYFAKLCLUUGV-ZIAGYGMSSA-N 2 1 306.410 0.744 20 30 DCEDMP C=CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CC[NH+](C)C)CC2 ZINC001128032845 752720596 /nfs/dbraw/zinc/72/05/96/752720596.db2.gz MOKCKBRGBIERBU-ZDUSSCGKSA-N 2 1 320.441 0.327 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045479199 753210944 /nfs/dbraw/zinc/21/09/44/753210944.db2.gz WIVDITOHVSZPSS-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045479199 753210950 /nfs/dbraw/zinc/21/09/50/753210950.db2.gz WIVDITOHVSZPSS-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001045896034 753363412 /nfs/dbraw/zinc/36/34/12/753363412.db2.gz SVNRYCKMUWQRLT-SJORKVTESA-N 2 1 319.449 0.389 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046009941 753412477 /nfs/dbraw/zinc/41/24/77/753412477.db2.gz GITTWRZBGMZWHL-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046009941 753412479 /nfs/dbraw/zinc/41/24/79/753412479.db2.gz GITTWRZBGMZWHL-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046009941 753412480 /nfs/dbraw/zinc/41/24/80/753412480.db2.gz GITTWRZBGMZWHL-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046011013 753413499 /nfs/dbraw/zinc/41/34/99/753413499.db2.gz YPIOUWUXXPKUGO-CVEARBPZSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046011013 753413503 /nfs/dbraw/zinc/41/35/03/753413503.db2.gz YPIOUWUXXPKUGO-CVEARBPZSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046011013 753413507 /nfs/dbraw/zinc/41/35/07/753413507.db2.gz YPIOUWUXXPKUGO-CVEARBPZSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081545 753470422 /nfs/dbraw/zinc/47/04/22/753470422.db2.gz HEHNHLBJVYNUIO-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081545 753470425 /nfs/dbraw/zinc/47/04/25/753470425.db2.gz HEHNHLBJVYNUIO-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081545 753470429 /nfs/dbraw/zinc/47/04/29/753470429.db2.gz HEHNHLBJVYNUIO-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC#CC)C2)CC1 ZINC001046850361 753978626 /nfs/dbraw/zinc/97/86/26/753978626.db2.gz UAHJXMVARZEOSC-SFHVURJKSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001046849404 753979414 /nfs/dbraw/zinc/97/94/14/753979414.db2.gz DUOPZVZNJJAFSS-GOSISDBHSA-N 2 1 301.434 0.936 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047409308 754258348 /nfs/dbraw/zinc/25/83/48/754258348.db2.gz RSNXHCCCVFIPOL-ULQDDVLXSA-N 2 1 321.465 0.776 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047409308 754258351 /nfs/dbraw/zinc/25/83/51/754258351.db2.gz RSNXHCCCVFIPOL-ULQDDVLXSA-N 2 1 321.465 0.776 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047409308 754258355 /nfs/dbraw/zinc/25/83/55/754258355.db2.gz RSNXHCCCVFIPOL-ULQDDVLXSA-N 2 1 321.465 0.776 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001047409308 754258358 /nfs/dbraw/zinc/25/83/58/754258358.db2.gz RSNXHCCCVFIPOL-ULQDDVLXSA-N 2 1 321.465 0.776 20 30 DCEDMP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504959 754341465 /nfs/dbraw/zinc/34/14/65/754341465.db2.gz XQSJEOKFHDNUHA-GJZGRUSLSA-N 2 1 319.405 0.482 20 30 DCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048511453 754784552 /nfs/dbraw/zinc/78/45/52/754784552.db2.gz DECROPBMGVPTLH-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048511453 754784556 /nfs/dbraw/zinc/78/45/56/754784556.db2.gz DECROPBMGVPTLH-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001048511453 754784560 /nfs/dbraw/zinc/78/45/60/754784560.db2.gz DECROPBMGVPTLH-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001048511453 754784564 /nfs/dbraw/zinc/78/45/64/754784564.db2.gz DECROPBMGVPTLH-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818229 754959063 /nfs/dbraw/zinc/95/90/63/754959063.db2.gz GKTQDWMEMHPGHQ-NCOADZHNSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818229 754959066 /nfs/dbraw/zinc/95/90/66/754959066.db2.gz GKTQDWMEMHPGHQ-NCOADZHNSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818229 754959069 /nfs/dbraw/zinc/95/90/69/754959069.db2.gz GKTQDWMEMHPGHQ-NCOADZHNSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049008649 755071824 /nfs/dbraw/zinc/07/18/24/755071824.db2.gz XNKFWBBUTNRNJQ-BBWFWOEESA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049008649 755071830 /nfs/dbraw/zinc/07/18/30/755071830.db2.gz XNKFWBBUTNRNJQ-BBWFWOEESA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049008649 755071838 /nfs/dbraw/zinc/07/18/38/755071838.db2.gz XNKFWBBUTNRNJQ-BBWFWOEESA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049008649 755071846 /nfs/dbraw/zinc/07/18/46/755071846.db2.gz XNKFWBBUTNRNJQ-BBWFWOEESA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222452 755190685 /nfs/dbraw/zinc/19/06/85/755190685.db2.gz IGZPSQCXMHZFLL-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222452 755190686 /nfs/dbraw/zinc/19/06/86/755190686.db2.gz IGZPSQCXMHZFLL-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222452 755190688 /nfs/dbraw/zinc/19/06/88/755190688.db2.gz IGZPSQCXMHZFLL-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222452 755190689 /nfs/dbraw/zinc/19/06/89/755190689.db2.gz IGZPSQCXMHZFLL-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090355493 755666276 /nfs/dbraw/zinc/66/62/76/755666276.db2.gz PVBGNWGFPJZELZ-JKSUJKDBSA-N 2 1 321.465 0.990 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=C)C)C[C@H]2OC)CC1 ZINC001082383086 757089004 /nfs/dbraw/zinc/08/90/04/757089004.db2.gz IBGDKTJLXDZIJM-IAGOWNOFSA-N 2 1 319.449 0.723 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392450 757355897 /nfs/dbraw/zinc/35/58/97/757355897.db2.gz SORKAECRWLZTBF-GJZGRUSLSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083910 757484132 /nfs/dbraw/zinc/48/41/32/757484132.db2.gz QSIGPAMGULQTFK-HRCADAONSA-N 2 1 305.422 0.426 20 30 DCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083910 757484137 /nfs/dbraw/zinc/48/41/37/757484137.db2.gz QSIGPAMGULQTFK-HRCADAONSA-N 2 1 305.422 0.426 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472769 757743259 /nfs/dbraw/zinc/74/32/59/757743259.db2.gz ZCEWSHYVMVFBNO-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472769 757743264 /nfs/dbraw/zinc/74/32/64/757743264.db2.gz ZCEWSHYVMVFBNO-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085098270 758210368 /nfs/dbraw/zinc/21/03/68/758210368.db2.gz JCWBSKHMXJBZOV-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085098270 758210376 /nfs/dbraw/zinc/21/03/76/758210376.db2.gz JCWBSKHMXJBZOV-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085098270 758210382 /nfs/dbraw/zinc/21/03/82/758210382.db2.gz JCWBSKHMXJBZOV-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085098270 758210389 /nfs/dbraw/zinc/21/03/89/758210389.db2.gz JCWBSKHMXJBZOV-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086476389 760235787 /nfs/dbraw/zinc/23/57/87/760235787.db2.gz KPZNGWAQZKCIOA-KKUMJFAQSA-N 2 1 300.406 0.872 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)CC[N@@H+](C)CC)CC2=O)C1 ZINC001108584822 760929767 /nfs/dbraw/zinc/92/97/67/760929767.db2.gz MBMPNSQBQYJHHW-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)CC[N@H+](C)CC)CC2=O)C1 ZINC001108584822 760929779 /nfs/dbraw/zinc/92/97/79/760929779.db2.gz MBMPNSQBQYJHHW-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001071042698 761598225 /nfs/dbraw/zinc/59/82/25/761598225.db2.gz FQWFBPIMOVLYFI-ZACQAIPSSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090434817 761666640 /nfs/dbraw/zinc/66/66/40/761666640.db2.gz BRYWFOZGHFEOGH-HOTGVXAUSA-N 2 1 312.373 0.523 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090434817 761666643 /nfs/dbraw/zinc/66/66/43/761666643.db2.gz BRYWFOZGHFEOGH-HOTGVXAUSA-N 2 1 312.373 0.523 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)nn1 ZINC001098685846 762711299 /nfs/dbraw/zinc/71/12/99/762711299.db2.gz RVIWMBFXQWNWHA-HUUCEWRRSA-N 2 1 320.441 0.667 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001098898656 762748707 /nfs/dbraw/zinc/74/87/07/762748707.db2.gz KHUPXQNIJJSASG-DLTWYDFYSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001098898656 762748708 /nfs/dbraw/zinc/74/87/08/762748708.db2.gz KHUPXQNIJJSASG-DLTWYDFYSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898656 762748712 /nfs/dbraw/zinc/74/87/12/762748712.db2.gz KHUPXQNIJJSASG-DLTWYDFYSA-N 2 1 305.422 0.309 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898656 762748716 /nfs/dbraw/zinc/74/87/16/762748716.db2.gz KHUPXQNIJJSASG-DLTWYDFYSA-N 2 1 305.422 0.309 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001098471308 763038331 /nfs/dbraw/zinc/03/83/31/763038331.db2.gz ACRVNAWFDQMFQR-QGZVFWFLSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001099931230 763136104 /nfs/dbraw/zinc/13/61/04/763136104.db2.gz PKLQOAMHJFHSNG-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001099931230 763136113 /nfs/dbraw/zinc/13/61/13/763136113.db2.gz PKLQOAMHJFHSNG-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099937983 763142994 /nfs/dbraw/zinc/14/29/94/763142994.db2.gz OUVMECWHVXIPLI-CABCVRRESA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099937983 763142998 /nfs/dbraw/zinc/14/29/98/763142998.db2.gz OUVMECWHVXIPLI-CABCVRRESA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038535 763244762 /nfs/dbraw/zinc/24/47/62/763244762.db2.gz KEGFCNODAGFAGN-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100038535 763244770 /nfs/dbraw/zinc/24/47/70/763244770.db2.gz KEGFCNODAGFAGN-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038535 763244778 /nfs/dbraw/zinc/24/47/78/763244778.db2.gz KEGFCNODAGFAGN-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038535 763244785 /nfs/dbraw/zinc/24/47/85/763244785.db2.gz KEGFCNODAGFAGN-CVEARBPZSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130412458 763291663 /nfs/dbraw/zinc/29/16/63/763291663.db2.gz RWFUMEFSLMXSOW-AWEZNQCLSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cncn1C ZINC001131101036 763644644 /nfs/dbraw/zinc/64/46/44/763644644.db2.gz JHYDHDZHZBAJFJ-HUUCEWRRSA-N 2 1 317.437 0.279 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351388 764068196 /nfs/dbraw/zinc/06/81/96/764068196.db2.gz FXHJBKHMRSIHRG-WBVHZDCISA-N 2 1 307.438 0.368 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432756 764094429 /nfs/dbraw/zinc/09/44/29/764094429.db2.gz YWCHTOXKXROUOD-WBVHZDCISA-N 2 1 307.438 0.368 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132359520 764415832 /nfs/dbraw/zinc/41/58/32/764415832.db2.gz MPBZVTZRZHAYLS-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132359520 764415839 /nfs/dbraw/zinc/41/58/39/764415839.db2.gz MPBZVTZRZHAYLS-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406183 764441977 /nfs/dbraw/zinc/44/19/77/764441977.db2.gz FKOHOGVUMLTKQX-CABCVRRESA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044954 764505645 /nfs/dbraw/zinc/50/56/45/764505645.db2.gz LVOIQZMXWYNMAS-BZUAXINKSA-N 2 1 319.453 0.683 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102044954 764505654 /nfs/dbraw/zinc/50/56/54/764505654.db2.gz LVOIQZMXWYNMAS-BZUAXINKSA-N 2 1 319.453 0.683 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132738077 764615444 /nfs/dbraw/zinc/61/54/44/764615444.db2.gz VDWWRBXYBXPNKF-AWEZNQCLSA-N 2 1 310.442 0.116 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486986 764664071 /nfs/dbraw/zinc/66/40/71/764664071.db2.gz FKZJMJRGNPOWKV-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102524401 764680271 /nfs/dbraw/zinc/68/02/71/764680271.db2.gz DBTZVGIWQOTRFY-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102524401 764680273 /nfs/dbraw/zinc/68/02/73/764680273.db2.gz DBTZVGIWQOTRFY-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102524401 764680275 /nfs/dbraw/zinc/68/02/75/764680275.db2.gz DBTZVGIWQOTRFY-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578128 764708935 /nfs/dbraw/zinc/70/89/35/764708935.db2.gz MMKKSUDJWQUKSO-BZUAXINKSA-N 2 1 309.454 0.825 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578128 764708942 /nfs/dbraw/zinc/70/89/42/764708942.db2.gz MMKKSUDJWQUKSO-BZUAXINKSA-N 2 1 309.454 0.825 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578128 764708945 /nfs/dbraw/zinc/70/89/45/764708945.db2.gz MMKKSUDJWQUKSO-BZUAXINKSA-N 2 1 309.454 0.825 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578287 764710092 /nfs/dbraw/zinc/71/00/92/764710092.db2.gz USOASUGKPDXQHJ-BZUAXINKSA-N 2 1 307.438 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578287 764710099 /nfs/dbraw/zinc/71/00/99/764710099.db2.gz USOASUGKPDXQHJ-BZUAXINKSA-N 2 1 307.438 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578287 764710105 /nfs/dbraw/zinc/71/01/05/764710105.db2.gz USOASUGKPDXQHJ-BZUAXINKSA-N 2 1 307.438 0.272 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580674 764712171 /nfs/dbraw/zinc/71/21/71/764712171.db2.gz GVXSEZRVXZGAJI-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783129 764814573 /nfs/dbraw/zinc/81/45/73/764814573.db2.gz WJFVERXUVKESDC-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102783129 764814583 /nfs/dbraw/zinc/81/45/83/764814583.db2.gz WJFVERXUVKESDC-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102783129 764814590 /nfs/dbraw/zinc/81/45/90/764814590.db2.gz WJFVERXUVKESDC-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133870881 765200220 /nfs/dbraw/zinc/20/02/20/765200220.db2.gz WNNHUWIYRUUDOX-CZUORRHYSA-N 2 1 300.406 0.962 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134566098 765572954 /nfs/dbraw/zinc/57/29/54/765572954.db2.gz GIQWGPKGFXUMRK-UHFFFAOYSA-N 2 1 307.398 0.015 20 30 DCEDMP C=C(Cl)C[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135320729 765879339 /nfs/dbraw/zinc/87/93/39/765879339.db2.gz DVJUILLSAKCQSP-UHFFFAOYSA-N 2 1 303.834 0.947 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090609223 766370085 /nfs/dbraw/zinc/37/00/85/766370085.db2.gz KMLRIMFPZUBZTP-HOTGVXAUSA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090610922 766372131 /nfs/dbraw/zinc/37/21/31/766372131.db2.gz WTKXODCAMGFVHG-HOTGVXAUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC001090706507 766494267 /nfs/dbraw/zinc/49/42/67/766494267.db2.gz JCUYEVDWJIZVBE-IAGOWNOFSA-N 2 1 319.449 0.293 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC001090706507 766494271 /nfs/dbraw/zinc/49/42/71/766494271.db2.gz JCUYEVDWJIZVBE-IAGOWNOFSA-N 2 1 319.449 0.293 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncc2c(n1)C[NH2+]CC2 ZINC001171068404 766603707 /nfs/dbraw/zinc/60/37/07/766603707.db2.gz LSMHCBMDBQQSEM-ZDUSSCGKSA-N 2 1 319.409 0.761 20 30 DCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001091205309 767028786 /nfs/dbraw/zinc/02/87/86/767028786.db2.gz WNNBASYUKFSIPE-SLTAFYQDSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001171235047 767085014 /nfs/dbraw/zinc/08/50/14/767085014.db2.gz CUWLCKAAISCETG-JKSUJKDBSA-N 2 1 319.453 0.711 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001091374301 767251361 /nfs/dbraw/zinc/25/13/61/767251361.db2.gz VKWMMBOLBFLJGJ-RUXDESIVSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001091374301 767251367 /nfs/dbraw/zinc/25/13/67/767251367.db2.gz VKWMMBOLBFLJGJ-RUXDESIVSA-N 2 1 315.845 0.944 20 30 DCEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccnc1 ZINC001230917984 768912051 /nfs/dbraw/zinc/91/20/51/768912051.db2.gz FLLVBBLOVNTBIE-QGZVFWFLSA-N 2 1 314.433 0.975 20 30 DCEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230917984 768912056 /nfs/dbraw/zinc/91/20/56/768912056.db2.gz FLLVBBLOVNTBIE-QGZVFWFLSA-N 2 1 314.433 0.975 20 30 DCEDMP C#CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230917984 768912061 /nfs/dbraw/zinc/91/20/61/768912061.db2.gz FLLVBBLOVNTBIE-QGZVFWFLSA-N 2 1 314.433 0.975 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230917984 768912067 /nfs/dbraw/zinc/91/20/67/768912067.db2.gz FLLVBBLOVNTBIE-QGZVFWFLSA-N 2 1 314.433 0.975 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291171 769059663 /nfs/dbraw/zinc/05/96/63/769059663.db2.gz KOJQNAYEHUTKNM-HZPDHXFCSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCOCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242046 769703719 /nfs/dbraw/zinc/70/37/19/769703719.db2.gz TZTAVAQTOZBGBM-HNNXBMFYSA-N 2 1 313.442 0.348 20 30 DCEDMP N#Cc1c(N)sc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1Cl ZINC001234988037 769734660 /nfs/dbraw/zinc/73/46/60/769734660.db2.gz PWUQVWAZINDNCI-ZDUSSCGKSA-N 2 1 311.842 0.993 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153910152 769995400 /nfs/dbraw/zinc/99/54/00/769995400.db2.gz GWSAYTBMXAQQDQ-ZBFHGGJFSA-N 2 1 324.469 0.149 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153910152 769995407 /nfs/dbraw/zinc/99/54/07/769995407.db2.gz GWSAYTBMXAQQDQ-ZBFHGGJFSA-N 2 1 324.469 0.149 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254830 770451318 /nfs/dbraw/zinc/45/13/18/770451318.db2.gz GAHPMPJXVTYOSK-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254830 770451320 /nfs/dbraw/zinc/45/13/20/770451320.db2.gz GAHPMPJXVTYOSK-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155254830 770451322 /nfs/dbraw/zinc/45/13/22/770451322.db2.gz GAHPMPJXVTYOSK-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155254830 770451323 /nfs/dbraw/zinc/45/13/23/770451323.db2.gz GAHPMPJXVTYOSK-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183391407 771643340 /nfs/dbraw/zinc/64/33/40/771643340.db2.gz RIJNKXXIYMRVCG-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001184331477 771776932 /nfs/dbraw/zinc/77/69/32/771776932.db2.gz UFXUFEUPBAXEJR-CQSZACIVSA-N 2 1 300.406 0.976 20 30 DCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158485968 771781696 /nfs/dbraw/zinc/78/16/96/771781696.db2.gz CMBHLEXWDZHICN-CHWSQXEVSA-N 2 1 301.818 0.698 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159877099 771971658 /nfs/dbraw/zinc/97/16/58/771971658.db2.gz NKJGWIVLBMTMLT-HNNXBMFYSA-N 2 1 323.441 0.112 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001159997154 771986783 /nfs/dbraw/zinc/98/67/83/771986783.db2.gz IIMRRXQEQVIBEO-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160862275 772127289 /nfs/dbraw/zinc/12/72/89/772127289.db2.gz KRVZFMRQDDGAGD-LSDHHAIUSA-N 2 1 322.453 0.401 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187307122 772172718 /nfs/dbraw/zinc/17/27/18/772172718.db2.gz VLZJRMMKDDTIED-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171201 772335868 /nfs/dbraw/zinc/33/58/68/772335868.db2.gz LNRKSDGFILTJMI-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117145 772415947 /nfs/dbraw/zinc/41/59/47/772415947.db2.gz FYIHRPQDCTXAPI-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117145 772415949 /nfs/dbraw/zinc/41/59/49/772415949.db2.gz FYIHRPQDCTXAPI-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117145 772415952 /nfs/dbraw/zinc/41/59/52/772415952.db2.gz FYIHRPQDCTXAPI-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117145 772415953 /nfs/dbraw/zinc/41/59/53/772415953.db2.gz FYIHRPQDCTXAPI-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644984 772656555 /nfs/dbraw/zinc/65/65/55/772656555.db2.gz PEXVSWLSBNSAHD-HZPDHXFCSA-N 2 1 317.437 0.369 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644984 772656558 /nfs/dbraw/zinc/65/65/58/772656558.db2.gz PEXVSWLSBNSAHD-HZPDHXFCSA-N 2 1 317.437 0.369 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165727640 772758447 /nfs/dbraw/zinc/75/84/47/772758447.db2.gz FJXUEHVNABTUPO-HUUCEWRRSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165727640 772758451 /nfs/dbraw/zinc/75/84/51/772758451.db2.gz FJXUEHVNABTUPO-HUUCEWRRSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1=O ZINC001166627065 772831208 /nfs/dbraw/zinc/83/12/08/772831208.db2.gz PALYLVTUWZJNQM-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192170411 772879185 /nfs/dbraw/zinc/87/91/85/772879185.db2.gz LICOIAWOKCXNDZ-GJZGRUSLSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193600571 773095839 /nfs/dbraw/zinc/09/58/39/773095839.db2.gz GQPJPVBTFGKVOU-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193600571 773095842 /nfs/dbraw/zinc/09/58/42/773095842.db2.gz GQPJPVBTFGKVOU-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193600571 773095845 /nfs/dbraw/zinc/09/58/45/773095845.db2.gz GQPJPVBTFGKVOU-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193600571 773095848 /nfs/dbraw/zinc/09/58/48/773095848.db2.gz GQPJPVBTFGKVOU-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206928838 773137384 /nfs/dbraw/zinc/13/73/84/773137384.db2.gz KQBPXQMAEUFQCB-INIZCTEOSA-N 2 1 309.454 0.969 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001206943235 773143560 /nfs/dbraw/zinc/14/35/60/773143560.db2.gz GWCJETXKAMAWHS-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206943235 773143561 /nfs/dbraw/zinc/14/35/61/773143561.db2.gz GWCJETXKAMAWHS-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207547146 773233119 /nfs/dbraw/zinc/23/31/19/773233119.db2.gz MOQVQJXVGUXVDJ-XNRPHZJLSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207547146 773233128 /nfs/dbraw/zinc/23/31/28/773233128.db2.gz MOQVQJXVGUXVDJ-XNRPHZJLSA-N 2 1 322.453 0.065 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208331701 773436099 /nfs/dbraw/zinc/43/60/99/773436099.db2.gz VZNMORPSDVKIHA-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636577 773625598 /nfs/dbraw/zinc/62/55/98/773625598.db2.gz CWUKGYPCOXTQLB-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210040220 773670315 /nfs/dbraw/zinc/67/03/15/773670315.db2.gz CTXSOABTIHEWJN-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210040220 773670317 /nfs/dbraw/zinc/67/03/17/773670317.db2.gz CTXSOABTIHEWJN-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040220 773670319 /nfs/dbraw/zinc/67/03/19/773670319.db2.gz CTXSOABTIHEWJN-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040220 773670320 /nfs/dbraw/zinc/67/03/20/773670320.db2.gz CTXSOABTIHEWJN-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001197049474 773681919 /nfs/dbraw/zinc/68/19/19/773681919.db2.gz RYFLIJFFUNYGEP-HNNXBMFYSA-N 2 1 322.453 0.259 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001197049474 773681922 /nfs/dbraw/zinc/68/19/22/773681922.db2.gz RYFLIJFFUNYGEP-HNNXBMFYSA-N 2 1 322.453 0.259 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315210 773697897 /nfs/dbraw/zinc/69/78/97/773697897.db2.gz MPYQNKMZSIASBC-HUUCEWRRSA-N 2 1 313.442 0.204 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673956 773728920 /nfs/dbraw/zinc/72/89/20/773728920.db2.gz KOVLBPCKAJGCMG-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)N(C)C)C1 ZINC001197689570 773783359 /nfs/dbraw/zinc/78/33/59/773783359.db2.gz KOIBIWQPRBXFLR-NUJGCVRESA-N 2 1 317.433 0.811 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826031 773813672 /nfs/dbraw/zinc/81/36/72/773813672.db2.gz MZRSEIIVUDDRPK-RRFJBIMHSA-N 2 1 313.442 0.081 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023080 774013345 /nfs/dbraw/zinc/01/33/45/774013345.db2.gz AAMCYTWITAEOKQ-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199095831 774028669 /nfs/dbraw/zinc/02/86/69/774028669.db2.gz LQIJIHCWMIKBQQ-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199095831 774028679 /nfs/dbraw/zinc/02/86/79/774028679.db2.gz LQIJIHCWMIKBQQ-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003093 774346732 /nfs/dbraw/zinc/34/67/32/774346732.db2.gz SZNBSRSDTKCBAN-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003093 774346738 /nfs/dbraw/zinc/34/67/38/774346738.db2.gz SZNBSRSDTKCBAN-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658320 774392089 /nfs/dbraw/zinc/39/20/89/774392089.db2.gz KQKXXXAADIKWFR-HOTGVXAUSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001201701394 774541005 /nfs/dbraw/zinc/54/10/05/774541005.db2.gz NBWWSXYHOQUZDV-HQVVEAJESA-N 2 1 317.433 0.454 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001219746582 774596920 /nfs/dbraw/zinc/59/69/20/774596920.db2.gz WOSWMJICYDJQSN-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001219746582 774596926 /nfs/dbraw/zinc/59/69/26/774596926.db2.gz WOSWMJICYDJQSN-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001219746582 774596931 /nfs/dbraw/zinc/59/69/31/774596931.db2.gz WOSWMJICYDJQSN-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202116131 774603398 /nfs/dbraw/zinc/60/33/98/774603398.db2.gz SNYWZEBEGOTFII-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202116131 774603400 /nfs/dbraw/zinc/60/34/00/774603400.db2.gz SNYWZEBEGOTFII-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202163270 774609609 /nfs/dbraw/zinc/60/96/09/774609609.db2.gz FUDLJMAEAODVPK-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001220272053 774751886 /nfs/dbraw/zinc/75/18/86/774751886.db2.gz PYRKCSYDTVVLDR-CVEARBPZSA-N 2 1 316.405 0.171 20 30 DCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001220272053 774751888 /nfs/dbraw/zinc/75/18/88/774751888.db2.gz PYRKCSYDTVVLDR-CVEARBPZSA-N 2 1 316.405 0.171 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202502605 774768908 /nfs/dbraw/zinc/76/89/08/774768908.db2.gz FUIFJJJUDGSBKO-GOEBONIOSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114487985 774897834 /nfs/dbraw/zinc/89/78/34/774897834.db2.gz DPDGYWRAFVWPBG-FICVDOATSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114487985 774897840 /nfs/dbraw/zinc/89/78/40/774897840.db2.gz DPDGYWRAFVWPBG-FICVDOATSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114487985 774897850 /nfs/dbraw/zinc/89/78/50/774897850.db2.gz DPDGYWRAFVWPBG-FICVDOATSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977715 774967309 /nfs/dbraw/zinc/96/73/09/774967309.db2.gz AKICUMKAPJSIHN-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977715 774967315 /nfs/dbraw/zinc/96/73/15/774967315.db2.gz AKICUMKAPJSIHN-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989177 774971809 /nfs/dbraw/zinc/97/18/09/774971809.db2.gz NOMBJSWHNPAGPZ-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001221085464 774992926 /nfs/dbraw/zinc/99/29/26/774992926.db2.gz KWPDYHGIUMSUSN-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001221085464 774992931 /nfs/dbraw/zinc/99/29/31/774992931.db2.gz KWPDYHGIUMSUSN-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001221085464 774992935 /nfs/dbraw/zinc/99/29/35/774992935.db2.gz KWPDYHGIUMSUSN-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC)[NH+](C)C ZINC001111037168 775432278 /nfs/dbraw/zinc/43/22/78/775432278.db2.gz NPYXSOMJVQKLKK-WCVJEAGWSA-N 2 1 307.438 0.698 20 30 DCEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC)[NH+](C)C ZINC001111037168 775432282 /nfs/dbraw/zinc/43/22/82/775432282.db2.gz NPYXSOMJVQKLKK-WCVJEAGWSA-N 2 1 307.438 0.698 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001225427997 775677022 /nfs/dbraw/zinc/67/70/22/775677022.db2.gz WEABRBODLFQOTH-HNNXBMFYSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001227995781 776036508 /nfs/dbraw/zinc/03/65/08/776036508.db2.gz QGUJHZYTAVOHCA-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001227995781 776036520 /nfs/dbraw/zinc/03/65/20/776036520.db2.gz QGUJHZYTAVOHCA-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270811 777821724 /nfs/dbraw/zinc/82/17/24/777821724.db2.gz SNEQFLUSGDWIOY-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270811 777821733 /nfs/dbraw/zinc/82/17/33/777821733.db2.gz SNEQFLUSGDWIOY-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001317573733 945066323 /nfs/dbraw/zinc/06/63/23/945066323.db2.gz RWMMVENJLDCLGK-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001317573734 945066784 /nfs/dbraw/zinc/06/67/84/945066784.db2.gz RWMMVENJLDCLGK-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001278024462 945102237 /nfs/dbraw/zinc/10/22/37/945102237.db2.gz FCUNGBDGNOLUBC-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854265 945210807 /nfs/dbraw/zinc/21/08/07/945210807.db2.gz OOKRXZFHNXCYKW-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317931834 945219049 /nfs/dbraw/zinc/21/90/49/945219049.db2.gz RSYSGYJIHDRUEW-SJORKVTESA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317931834 945219056 /nfs/dbraw/zinc/21/90/56/945219056.db2.gz RSYSGYJIHDRUEW-SJORKVTESA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001266294855 939055582 /nfs/dbraw/zinc/05/55/82/939055582.db2.gz NHJKAYVGNGFINW-IAGOWNOFSA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001266294855 939055587 /nfs/dbraw/zinc/05/55/87/939055587.db2.gz NHJKAYVGNGFINW-IAGOWNOFSA-N 2 1 318.465 0.370 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266415384 939110598 /nfs/dbraw/zinc/11/05/98/939110598.db2.gz UPOUPHBBYWJIDR-CABCVRRESA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCNC(=O)CN1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266488413 939132731 /nfs/dbraw/zinc/13/27/31/939132731.db2.gz IYERTZGMEMZDDK-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266488413 939132735 /nfs/dbraw/zinc/13/27/35/939132735.db2.gz IYERTZGMEMZDDK-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266488413 939132737 /nfs/dbraw/zinc/13/27/37/939132737.db2.gz IYERTZGMEMZDDK-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266488413 939132740 /nfs/dbraw/zinc/13/27/40/939132740.db2.gz IYERTZGMEMZDDK-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266488413 939132743 /nfs/dbraw/zinc/13/27/43/939132743.db2.gz IYERTZGMEMZDDK-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266586463 939171289 /nfs/dbraw/zinc/17/12/89/939171289.db2.gz ZKOIFSMOFWHYCJ-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266586463 939171294 /nfs/dbraw/zinc/17/12/94/939171294.db2.gz ZKOIFSMOFWHYCJ-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001266586463 939171295 /nfs/dbraw/zinc/17/12/95/939171295.db2.gz ZKOIFSMOFWHYCJ-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001266586463 939171299 /nfs/dbraw/zinc/17/12/99/939171299.db2.gz ZKOIFSMOFWHYCJ-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C[C@@H](C)OC)C2CC2)CC1 ZINC001266621616 939181914 /nfs/dbraw/zinc/18/19/14/939181914.db2.gz IMMINFKWSVNSEP-OAHLLOKOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001266630385 939184010 /nfs/dbraw/zinc/18/40/10/939184010.db2.gz NAHXTBIIVDMVHX-KKUMJFAQSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001266882249 939264972 /nfs/dbraw/zinc/26/49/72/939264972.db2.gz FTLAXWYPICWTBR-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001266882246 939265023 /nfs/dbraw/zinc/26/50/23/939265023.db2.gz FTLAXWYPICWTBR-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001481019522 939524594 /nfs/dbraw/zinc/52/45/94/939524594.db2.gz VVZPSCGECVWWQX-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001481019522 939524595 /nfs/dbraw/zinc/52/45/95/939524595.db2.gz VVZPSCGECVWWQX-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001481019522 939524597 /nfs/dbraw/zinc/52/45/97/939524597.db2.gz VVZPSCGECVWWQX-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001481019522 939524599 /nfs/dbraw/zinc/52/45/99/939524599.db2.gz VVZPSCGECVWWQX-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481039707 939536909 /nfs/dbraw/zinc/53/69/09/939536909.db2.gz OEQAUJIRPZFVQK-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481039707 939536910 /nfs/dbraw/zinc/53/69/10/939536910.db2.gz OEQAUJIRPZFVQK-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001481039707 939536911 /nfs/dbraw/zinc/53/69/11/939536911.db2.gz OEQAUJIRPZFVQK-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001481039707 939536912 /nfs/dbraw/zinc/53/69/12/939536912.db2.gz OEQAUJIRPZFVQK-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267606058 939561488 /nfs/dbraw/zinc/56/14/88/939561488.db2.gz MHKNMYNXYMUABV-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001481127001 939575038 /nfs/dbraw/zinc/57/50/38/939575038.db2.gz OKZLLOFACMSWDQ-CABCVRRESA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001481127001 939575040 /nfs/dbraw/zinc/57/50/40/939575040.db2.gz OKZLLOFACMSWDQ-CABCVRRESA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001481127001 939575042 /nfs/dbraw/zinc/57/50/42/939575042.db2.gz OKZLLOFACMSWDQ-CABCVRRESA-N 2 1 324.469 0.455 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001267777889 939680074 /nfs/dbraw/zinc/68/00/74/939680074.db2.gz UWISUMCEMGTVRU-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001267777889 939680075 /nfs/dbraw/zinc/68/00/75/939680075.db2.gz UWISUMCEMGTVRU-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001481330223 939751214 /nfs/dbraw/zinc/75/12/14/939751214.db2.gz OPCXDFFJUGVHJN-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001481330223 939751218 /nfs/dbraw/zinc/75/12/18/939751218.db2.gz OPCXDFFJUGVHJN-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001318219148 945293050 /nfs/dbraw/zinc/29/30/50/945293050.db2.gz ADZVCIOQAZXWSS-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001318219148 945293071 /nfs/dbraw/zinc/29/30/71/945293071.db2.gz ADZVCIOQAZXWSS-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001268329415 940062491 /nfs/dbraw/zinc/06/24/91/940062491.db2.gz UAJYOXOWGCZUNW-CVEARBPZSA-N 2 1 303.406 0.379 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001481913300 940179972 /nfs/dbraw/zinc/17/99/72/940179972.db2.gz YOHRXAURECUUJA-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001268829111 940375978 /nfs/dbraw/zinc/37/59/78/940375978.db2.gz XCPMEFPAXLTCMJ-JKSUJKDBSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001269138594 940630028 /nfs/dbraw/zinc/63/00/28/940630028.db2.gz SISLVORJCIVEBS-RBSFLKMASA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001269138594 940630030 /nfs/dbraw/zinc/63/00/30/940630030.db2.gz SISLVORJCIVEBS-RBSFLKMASA-N 2 1 322.453 0.304 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001482220206 940710974 /nfs/dbraw/zinc/71/09/74/940710974.db2.gz VFUYNCPYKZUJPJ-HZPDHXFCSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001270520482 940915596 /nfs/dbraw/zinc/91/55/96/940915596.db2.gz MTKIIHZYGMVUJD-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001271610085 941410165 /nfs/dbraw/zinc/41/01/65/941410165.db2.gz UPTHQBIXBXXCES-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077444108 942460379 /nfs/dbraw/zinc/46/03/79/942460379.db2.gz KSXHTFYLKBEYFG-IAGOWNOFSA-N 2 1 317.433 0.752 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077444108 942460384 /nfs/dbraw/zinc/46/03/84/942460384.db2.gz KSXHTFYLKBEYFG-IAGOWNOFSA-N 2 1 317.433 0.752 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001272520753 942800335 /nfs/dbraw/zinc/80/03/35/942800335.db2.gz KFSPUMUZAUBYNX-HOCLYGCPSA-N 2 1 320.437 0.787 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001484765770 943571952 /nfs/dbraw/zinc/57/19/52/943571952.db2.gz RFFOQZNWDFXJTR-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001484765770 943571954 /nfs/dbraw/zinc/57/19/54/943571954.db2.gz RFFOQZNWDFXJTR-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001484765770 943571957 /nfs/dbraw/zinc/57/19/57/943571957.db2.gz RFFOQZNWDFXJTR-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001485021113 943660065 /nfs/dbraw/zinc/66/00/65/943660065.db2.gz ZYGMQMLTUUNJHO-HZPDHXFCSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001485298645 943808154 /nfs/dbraw/zinc/80/81/54/943808154.db2.gz BRAWTIJNBJSCSY-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485298645 943808160 /nfs/dbraw/zinc/80/81/60/943808160.db2.gz BRAWTIJNBJSCSY-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001485298645 943808166 /nfs/dbraw/zinc/80/81/66/943808166.db2.gz BRAWTIJNBJSCSY-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001485298645 943808170 /nfs/dbraw/zinc/80/81/70/943808170.db2.gz BRAWTIJNBJSCSY-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001485405913 943926082 /nfs/dbraw/zinc/92/60/82/943926082.db2.gz ABNMGNOMNMHLRI-MRXNPFEDSA-N 2 1 321.465 0.847 20 30 DCEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001485580299 944013307 /nfs/dbraw/zinc/01/33/07/944013307.db2.gz FTJGDLNZPJYTQW-CABCVRRESA-N 2 1 309.454 0.967 20 30 DCEDMP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001485624172 944046198 /nfs/dbraw/zinc/04/61/98/944046198.db2.gz QPKOXMWOYMZMOG-JONQDZQNSA-N 2 1 307.438 0.270 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001485643810 944061271 /nfs/dbraw/zinc/06/12/71/944061271.db2.gz MPWNMYDQGMZQNN-HUUCEWRRSA-N 2 1 318.421 0.845 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001276921989 944595346 /nfs/dbraw/zinc/59/53/46/944595346.db2.gz RQUMORUELKJRPY-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001277060318 944645932 /nfs/dbraw/zinc/64/59/32/944645932.db2.gz MGODYQNUKGURHS-UONOGXRCSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317079960 944783843 /nfs/dbraw/zinc/78/38/43/944783843.db2.gz ALEVTXNCLHIXCT-KBUPBQIOSA-N 2 1 322.453 0.398 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317178592 944837900 /nfs/dbraw/zinc/83/79/00/944837900.db2.gz CEAVEXZJYGBOGQ-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317521371 945017886 /nfs/dbraw/zinc/01/78/86/945017886.db2.gz CJWJPJHOOCYBTO-RDJZCZTQSA-N 2 1 319.449 0.416 20 30 DCEDMP C#CCOC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001251885580 945808592 /nfs/dbraw/zinc/80/85/92/945808592.db2.gz YQGPQLKKQOFMIE-GOSISDBHSA-N 2 1 318.417 0.619 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001278723008 946124633 /nfs/dbraw/zinc/12/46/33/946124633.db2.gz RGOULJPTTSBZKQ-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C=C[C@@H](O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001253582422 946135654 /nfs/dbraw/zinc/13/56/54/946135654.db2.gz ONTKSIIUSBDWOL-CQSZACIVSA-N 2 1 308.426 0.714 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001278805650 946426998 /nfs/dbraw/zinc/42/69/98/946426998.db2.gz OUAZXOUXBNNDGF-NVXWUHKLSA-N 2 1 309.454 0.683 20 30 DCEDMP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001322156552 946592445 /nfs/dbraw/zinc/59/24/45/946592445.db2.gz LCMKSGWWYVRWFH-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001322156552 946592450 /nfs/dbraw/zinc/59/24/50/946592450.db2.gz LCMKSGWWYVRWFH-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001322156552 946592455 /nfs/dbraw/zinc/59/24/55/946592455.db2.gz LCMKSGWWYVRWFH-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001322156552 946592464 /nfs/dbraw/zinc/59/24/64/946592464.db2.gz LCMKSGWWYVRWFH-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCOCC1 ZINC001325024758 947615656 /nfs/dbraw/zinc/61/56/56/947615656.db2.gz ADDMWPSNGAJADZ-UHFFFAOYSA-N 2 1 318.421 0.860 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001325101293 947653063 /nfs/dbraw/zinc/65/30/63/947653063.db2.gz FWZBKHGOFWBHLP-INIZCTEOSA-N 2 1 321.446 0.610 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001325160014 947687442 /nfs/dbraw/zinc/68/74/42/947687442.db2.gz IVUSYOYPFGMESV-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC#CCOC)C1 ZINC001325456314 947800687 /nfs/dbraw/zinc/80/06/87/947800687.db2.gz NWEKFKIAESVZNE-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001327577227 948558355 /nfs/dbraw/zinc/55/83/55/948558355.db2.gz LLPFYQLDSFOSEF-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001263820618 948763900 /nfs/dbraw/zinc/76/39/00/948763900.db2.gz CQVAVQARWJFJLG-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C#N)CO)CC2)CC1 ZINC001328340606 948845571 /nfs/dbraw/zinc/84/55/71/948845571.db2.gz QVZKUHCLSIHOOX-CQSZACIVSA-N 2 1 308.426 0.183 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264076525 948862707 /nfs/dbraw/zinc/86/27/07/948862707.db2.gz GLBJRHUKJFXSMI-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264167895 948915455 /nfs/dbraw/zinc/91/54/55/948915455.db2.gz FEUNYENXXYUHLV-CABCVRRESA-N 2 1 305.422 0.311 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264167895 948915466 /nfs/dbraw/zinc/91/54/66/948915466.db2.gz FEUNYENXXYUHLV-CABCVRRESA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390912046 949114945 /nfs/dbraw/zinc/11/49/45/949114945.db2.gz XRXRCWCQWPFVES-QGZVFWFLSA-N 2 1 315.417 0.617 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001489169965 949527988 /nfs/dbraw/zinc/52/79/88/949527988.db2.gz UQMOCMKNFOXYPL-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265290179 949561495 /nfs/dbraw/zinc/56/14/95/949561495.db2.gz KYWSOKADKAYLEC-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265290179 949561510 /nfs/dbraw/zinc/56/15/10/949561510.db2.gz KYWSOKADKAYLEC-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001265590536 949795095 /nfs/dbraw/zinc/79/50/95/949795095.db2.gz BVGXSAYCZROOMP-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265594664 949802262 /nfs/dbraw/zinc/80/22/62/949802262.db2.gz HMWUUMMOUHIKNY-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265594664 949802282 /nfs/dbraw/zinc/80/22/82/949802282.db2.gz HMWUUMMOUHIKNY-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265594664 949802302 /nfs/dbraw/zinc/80/23/02/949802302.db2.gz HMWUUMMOUHIKNY-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001265663887 949861066 /nfs/dbraw/zinc/86/10/66/949861066.db2.gz MVEQVGJZSYCOMP-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001266024066 950263059 /nfs/dbraw/zinc/26/30/59/950263059.db2.gz UPTMBQHTBASGQD-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551359 950853443 /nfs/dbraw/zinc/85/34/43/950853443.db2.gz SGKQBRVPGOJNHB-ZIAGYGMSSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001331133201 950944102 /nfs/dbraw/zinc/94/41/02/950944102.db2.gz PDTYAZQTBPMTAI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001331133201 950944118 /nfs/dbraw/zinc/94/41/18/950944118.db2.gz PDTYAZQTBPMTAI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001331642709 951214881 /nfs/dbraw/zinc/21/48/81/951214881.db2.gz BXJIAQVNGMINHN-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCCC#N)C2 ZINC001274039600 951351205 /nfs/dbraw/zinc/35/12/05/951351205.db2.gz HPCIWHPJENDTHT-MRXNPFEDSA-N 2 1 308.426 0.403 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001332341506 951596716 /nfs/dbraw/zinc/59/67/16/951596716.db2.gz PYEQCXFMYODUJU-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#CCOC)[C@H](C)C1 ZINC001281687373 951599635 /nfs/dbraw/zinc/59/96/35/951599635.db2.gz XOWFEDFQCFVJTN-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#CCOC)[C@H](C)C1 ZINC001281687373 951599644 /nfs/dbraw/zinc/59/96/44/951599644.db2.gz XOWFEDFQCFVJTN-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#CCOC)[C@H](C)C1 ZINC001281687373 951599653 /nfs/dbraw/zinc/59/96/53/951599653.db2.gz XOWFEDFQCFVJTN-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cnc(C)[nH]3)C2)C1=O ZINC001274575613 951710755 /nfs/dbraw/zinc/71/07/55/951710755.db2.gz GJYUWUFTLIQZGZ-MRXNPFEDSA-N 2 1 300.362 0.692 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cnc(C)[nH]3)C2)C1=O ZINC001274575613 951710759 /nfs/dbraw/zinc/71/07/59/951710759.db2.gz GJYUWUFTLIQZGZ-MRXNPFEDSA-N 2 1 300.362 0.692 20 30 DCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001332663370 951751494 /nfs/dbraw/zinc/75/14/94/951751494.db2.gz MYEKEBWTMDYUCZ-HOCLYGCPSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001332663370 951751501 /nfs/dbraw/zinc/75/15/01/951751501.db2.gz MYEKEBWTMDYUCZ-HOCLYGCPSA-N 2 1 320.437 0.691 20 30 DCEDMP C#CCN1CCC2(CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC2)C1=O ZINC001274654862 951771025 /nfs/dbraw/zinc/77/10/25/951771025.db2.gz GRPTZZXIBPEMEM-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCN1CC[C@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274657517 951772794 /nfs/dbraw/zinc/77/27/94/951772794.db2.gz ZLXXPJZCGHEWCP-RDJZCZTQSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnoc1C ZINC001274792333 951843459 /nfs/dbraw/zinc/84/34/59/951843459.db2.gz YIBQQVXYUIZUDI-DOMZBBRYSA-N 2 1 304.394 0.675 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnoc1C ZINC001274792333 951843471 /nfs/dbraw/zinc/84/34/71/951843471.db2.gz YIBQQVXYUIZUDI-DOMZBBRYSA-N 2 1 304.394 0.675 20 30 DCEDMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3[nH]ccc3C#N)C2)C1=O ZINC001274855669 951860516 /nfs/dbraw/zinc/86/05/16/951860516.db2.gz PTPNWVYFSXWHJT-KRWDZBQOSA-N 2 1 315.421 0.872 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCC[NH+]1CCN(CC#N)CC1 ZINC001274879093 951870769 /nfs/dbraw/zinc/87/07/69/951870769.db2.gz RQYLQGIDIAQQQH-MRXNPFEDSA-N 2 1 321.469 0.508 20 30 DCEDMP C=CCN1CC[C@H](n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C1=O ZINC001333121242 951924884 /nfs/dbraw/zinc/92/48/84/951924884.db2.gz JJRPWRQFDHTOER-HNNXBMFYSA-N 2 1 318.425 0.203 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001281968808 953432018 /nfs/dbraw/zinc/43/20/18/953432018.db2.gz PDSRZKDERUWRAZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001281968808 953432039 /nfs/dbraw/zinc/43/20/39/953432039.db2.gz PDSRZKDERUWRAZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001281968808 953432045 /nfs/dbraw/zinc/43/20/45/953432045.db2.gz PDSRZKDERUWRAZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001281968808 953432051 /nfs/dbraw/zinc/43/20/51/953432051.db2.gz PDSRZKDERUWRAZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001281968809 953434326 /nfs/dbraw/zinc/43/43/26/953434326.db2.gz PDSRZKDERUWRAZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001281968809 953434334 /nfs/dbraw/zinc/43/43/34/953434334.db2.gz PDSRZKDERUWRAZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001281968809 953434344 /nfs/dbraw/zinc/43/43/44/953434344.db2.gz PDSRZKDERUWRAZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001281968809 953434351 /nfs/dbraw/zinc/43/43/51/953434351.db2.gz PDSRZKDERUWRAZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001282675367 953646632 /nfs/dbraw/zinc/64/66/32/953646632.db2.gz KYPPFQUMGMDFLR-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001282714621 953656656 /nfs/dbraw/zinc/65/66/56/953656656.db2.gz JXYINZWGXWVLSU-NVXWUHKLSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001282714621 953656662 /nfs/dbraw/zinc/65/66/62/953656662.db2.gz JXYINZWGXWVLSU-NVXWUHKLSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001346670765 953940563 /nfs/dbraw/zinc/94/05/63/953940563.db2.gz CUVVPCYIEVYXOY-NUEKZKHPSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001353584510 956114755 /nfs/dbraw/zinc/11/47/55/956114755.db2.gz XLRGOPKAZOKARQ-UHFFFAOYSA-N 2 1 300.406 0.990 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001353584510 956114763 /nfs/dbraw/zinc/11/47/63/956114763.db2.gz XLRGOPKAZOKARQ-UHFFFAOYSA-N 2 1 300.406 0.990 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001316853550 960125905 /nfs/dbraw/zinc/12/59/05/960125905.db2.gz HIDIMRAHTPCFSN-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001316707967 960250841 /nfs/dbraw/zinc/25/08/41/960250841.db2.gz HAWVMSFRTPAXOI-IKGGRYGDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001316707967 960250846 /nfs/dbraw/zinc/25/08/46/960250846.db2.gz HAWVMSFRTPAXOI-IKGGRYGDSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001369328226 964754831 /nfs/dbraw/zinc/75/48/31/964754831.db2.gz JTPGDWMUOXGPFH-ZDUSSCGKSA-N 2 1 315.845 0.682 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001382171299 967003950 /nfs/dbraw/zinc/00/39/50/967003950.db2.gz QUBLBVLWGNHUSG-CHWSQXEVSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001382171299 967003956 /nfs/dbraw/zinc/00/39/56/967003956.db2.gz QUBLBVLWGNHUSG-CHWSQXEVSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001448835070 1014064645 /nfs/dbraw/zinc/06/46/45/1014064645.db2.gz DXBSZPUVTLUAIR-STQMWFEESA-N 2 1 301.818 0.147 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCCC1 ZINC001507205958 1016122304 /nfs/dbraw/zinc/12/23/04/1016122304.db2.gz WVFTVWTVHRSYIX-HOTGVXAUSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CCCC1 ZINC001507205958 1016122307 /nfs/dbraw/zinc/12/23/07/1016122307.db2.gz WVFTVWTVHRSYIX-HOTGVXAUSA-N 2 1 307.438 0.341 20 30 DCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001502895810 1016123023 /nfs/dbraw/zinc/12/30/23/1016123023.db2.gz YKWCHHIFALFPJB-UHFFFAOYSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001507231213 1016154838 /nfs/dbraw/zinc/15/48/38/1016154838.db2.gz YDXPGUUGHLXTCG-RDJZCZTQSA-N 2 1 321.465 0.874 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001505710995 1016475834 /nfs/dbraw/zinc/47/58/34/1016475834.db2.gz XXFVVHRCQFUVBN-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001507656802 1016513240 /nfs/dbraw/zinc/51/32/40/1016513240.db2.gz MZSKIGPHXQKTLN-CYBMUJFWSA-N 2 1 322.409 0.124 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001507656802 1016513249 /nfs/dbraw/zinc/51/32/49/1016513249.db2.gz MZSKIGPHXQKTLN-CYBMUJFWSA-N 2 1 322.409 0.124 20 30 DCEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001425833906 1003163467 /nfs/dbraw/zinc/16/34/67/1003163467.db2.gz FMIJZHWYBYMDCK-LLVKDONJSA-N 2 1 320.231 0.058 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC001506065427 1016971243 /nfs/dbraw/zinc/97/12/43/1016971243.db2.gz OVFGEXQIFDCDBJ-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001506115732 1017036865 /nfs/dbraw/zinc/03/68/65/1017036865.db2.gz XBVPANYNDWNXBA-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001506115732 1017036870 /nfs/dbraw/zinc/03/68/70/1017036870.db2.gz XBVPANYNDWNXBA-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001424530850 1012620143 /nfs/dbraw/zinc/62/01/43/1012620143.db2.gz PQAKZVLSRQMZFY-ZDUSSCGKSA-N 2 1 315.845 0.634 20 30 DCEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548703919 1012999133 /nfs/dbraw/zinc/99/91/33/1012999133.db2.gz WIWUVLAQPVPNJN-GDBMZVCRSA-N 2 1 306.454 0.531 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001506822661 1017586341 /nfs/dbraw/zinc/58/63/41/1017586341.db2.gz TUQAMHBHHACKBN-PHZGNYQRSA-N 2 1 305.422 0.026 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001506822661 1017586351 /nfs/dbraw/zinc/58/63/51/1017586351.db2.gz TUQAMHBHHACKBN-PHZGNYQRSA-N 2 1 305.422 0.026 20 30 DCEDMP CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC#CCOC)C2)[NH+](C)C ZINC001506862798 1017626133 /nfs/dbraw/zinc/62/61/33/1017626133.db2.gz FAMQPHRBASODJL-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001673264395 1173917568 /nfs/dbraw/zinc/91/75/68/1173917568.db2.gz QUIOLRSAFSLTKV-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001673264395 1173917571 /nfs/dbraw/zinc/91/75/71/1173917571.db2.gz QUIOLRSAFSLTKV-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001499538952 1017964639 /nfs/dbraw/zinc/96/46/39/1017964639.db2.gz UODQFDISVHBSQX-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001499538952 1017964645 /nfs/dbraw/zinc/96/46/45/1017964645.db2.gz UODQFDISVHBSQX-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001499538952 1017964653 /nfs/dbraw/zinc/96/46/53/1017964653.db2.gz UODQFDISVHBSQX-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001499620509 1018000675 /nfs/dbraw/zinc/00/06/75/1018000675.db2.gz XDTLJRUKNNLZCC-SJLPKXTDSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001499620509 1018000689 /nfs/dbraw/zinc/00/06/89/1018000689.db2.gz XDTLJRUKNNLZCC-SJLPKXTDSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001499620509 1018000705 /nfs/dbraw/zinc/00/07/05/1018000705.db2.gz XDTLJRUKNNLZCC-SJLPKXTDSA-N 2 1 319.449 0.512 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001479942082 1018014768 /nfs/dbraw/zinc/01/47/68/1018014768.db2.gz HNELTKGUVHSBNO-IAGOWNOFSA-N 2 1 320.481 0.616 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001495260506 1018428172 /nfs/dbraw/zinc/42/81/72/1018428172.db2.gz WLFXSKPATDFTAG-SFHVURJKSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001495398833 1018488607 /nfs/dbraw/zinc/48/86/07/1018488607.db2.gz ZTIUZKGQELKBER-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500743200 1018623981 /nfs/dbraw/zinc/62/39/81/1018623981.db2.gz IQBJVMDPAVHEJM-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480708864 1018795838 /nfs/dbraw/zinc/79/58/38/1018795838.db2.gz HYKYVTDPCRFUEF-CABCVRRESA-N 2 1 324.469 0.646 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001501139575 1018916388 /nfs/dbraw/zinc/91/63/88/1018916388.db2.gz KQJCVNWPVLNECZ-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498457835 1019139740 /nfs/dbraw/zinc/13/97/40/1019139740.db2.gz OLWCKROAMMYXFS-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498457835 1019139755 /nfs/dbraw/zinc/13/97/55/1019139755.db2.gz OLWCKROAMMYXFS-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccns1 ZINC001493576677 1019533835 /nfs/dbraw/zinc/53/38/35/1019533835.db2.gz DLYRPTCMWAVBND-AWEZNQCLSA-N 2 1 306.435 0.789 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccns1 ZINC001493576677 1019533847 /nfs/dbraw/zinc/53/38/47/1019533847.db2.gz DLYRPTCMWAVBND-AWEZNQCLSA-N 2 1 306.435 0.789 20 30 DCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264098713 238189491 /nfs/dbraw/zinc/18/94/91/238189491.db2.gz NJIJQUGNNXNECD-CJNGLKHVSA-N 2 1 320.437 0.345 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000491724179 533104200 /nfs/dbraw/zinc/10/42/00/533104200.db2.gz DWDNKHQKABUKPP-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000285000391 285340029 /nfs/dbraw/zinc/34/00/29/285340029.db2.gz HYLWZOVHSALSQC-KCQAQPDRSA-N 2 1 322.457 0.742 20 30 DCEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000346511268 397023590 /nfs/dbraw/zinc/02/35/90/397023590.db2.gz VVQPSRWWOSIRAH-HNNXBMFYSA-N 2 1 321.469 0.507 20 30 DCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000598721351 397284563 /nfs/dbraw/zinc/28/45/63/397284563.db2.gz VMTONIIXBWFBQL-KBPBESRZSA-N 2 1 310.442 0.464 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](C)CCOC)CC1 ZINC000106271638 415641854 /nfs/dbraw/zinc/64/18/54/415641854.db2.gz IESILOVOJHCRMU-UHFFFAOYSA-N 2 1 312.458 0.904 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000343739255 415706249 /nfs/dbraw/zinc/70/62/49/415706249.db2.gz MNQDAHFOKDFNMQ-AWEZNQCLSA-N 2 1 322.453 0.306 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000305242426 416103861 /nfs/dbraw/zinc/10/38/61/416103861.db2.gz AWCAEHLBBUAQQQ-RRFJBIMHSA-N 2 1 322.453 0.571 20 30 DCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000329336763 416164293 /nfs/dbraw/zinc/16/42/93/416164293.db2.gz MASSJNIUVZISTO-AWEZNQCLSA-N 2 1 311.474 0.468 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000491741459 416621883 /nfs/dbraw/zinc/62/18/83/416621883.db2.gz IMNINTKMVJVBJA-CABCVRRESA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000491741459 416621887 /nfs/dbraw/zinc/62/18/87/416621887.db2.gz IMNINTKMVJVBJA-CABCVRRESA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000491741459 416621890 /nfs/dbraw/zinc/62/18/90/416621890.db2.gz IMNINTKMVJVBJA-CABCVRRESA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000491794870 416628787 /nfs/dbraw/zinc/62/87/87/416628787.db2.gz SWEYHYBBUZPDGT-OAHLLOKOSA-N 2 1 324.469 0.428 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000491794870 416628788 /nfs/dbraw/zinc/62/87/88/416628788.db2.gz SWEYHYBBUZPDGT-OAHLLOKOSA-N 2 1 324.469 0.428 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000491794870 416628791 /nfs/dbraw/zinc/62/87/91/416628791.db2.gz SWEYHYBBUZPDGT-OAHLLOKOSA-N 2 1 324.469 0.428 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652349562 417886950 /nfs/dbraw/zinc/88/69/50/417886950.db2.gz SNMPVNRBVGYLMF-YHUYYLMFSA-N 2 1 307.438 0.992 20 30 DCEDMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330176031 336120782 /nfs/dbraw/zinc/12/07/82/336120782.db2.gz JPNUAJXVWNGBJV-CZUORRHYSA-N 2 1 324.469 0.914 20 30 DCEDMP C=CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000516315636 338009645 /nfs/dbraw/zinc/00/96/45/338009645.db2.gz QHKLHHCYJGXTHL-GOEBONIOSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000516315636 338009646 /nfs/dbraw/zinc/00/96/46/338009646.db2.gz QHKLHHCYJGXTHL-GOEBONIOSA-N 2 1 301.390 0.995 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249412890 341397304 /nfs/dbraw/zinc/39/73/04/341397304.db2.gz FQNVKRWHDDNGJM-HRCADAONSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249412890 341397305 /nfs/dbraw/zinc/39/73/05/341397305.db2.gz FQNVKRWHDDNGJM-HRCADAONSA-N 2 1 309.454 0.851 20 30 DCEDMP Cc1noc(C)c1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267459048 534337475 /nfs/dbraw/zinc/33/74/75/534337475.db2.gz UOXRWWYHGKPMIM-UHFFFAOYSA-N 2 1 309.414 0.461 20 30 DCEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1cnn(C)c1 ZINC000262754219 526374837 /nfs/dbraw/zinc/37/48/37/526374837.db2.gz CTONSQLALXLYQN-HNNXBMFYSA-N 2 1 324.498 0.865 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000186017101 526427954 /nfs/dbraw/zinc/42/79/54/526427954.db2.gz ZNUOVCHHGLDBDY-LSDHHAIUSA-N 2 1 324.469 0.733 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000171714808 526432768 /nfs/dbraw/zinc/43/27/68/526432768.db2.gz KRTKFQABWJYXGE-UHFFFAOYSA-N 2 1 312.458 0.904 20 30 DCEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1cccn1C ZINC000262017921 528814622 /nfs/dbraw/zinc/81/46/22/528814622.db2.gz YEYPDFFIZRNLSA-INIZCTEOSA-N 2 1 320.485 0.668 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccco1 ZINC000264150874 529070918 /nfs/dbraw/zinc/07/09/18/529070918.db2.gz ZBQWDGLLRHCXFG-GFCCVEGCSA-N 2 1 307.398 0.398 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(C)=O)nc1 ZINC000278727054 529072899 /nfs/dbraw/zinc/07/28/99/529072899.db2.gz LCHUKZAOZHWRCI-CQSZACIVSA-N 2 1 318.425 0.929 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264144850 529093045 /nfs/dbraw/zinc/09/30/45/529093045.db2.gz XRQYNMUQTBGKJQ-AWEZNQCLSA-N 2 1 317.441 0.398 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)o1 ZINC000276684886 529101438 /nfs/dbraw/zinc/10/14/38/529101438.db2.gz UHTNMSBOHFPDKS-NSHDSACASA-N 2 1 308.382 0.955 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001665686450 1174550295 /nfs/dbraw/zinc/55/02/95/1174550295.db2.gz JZTWUGMRSMDADX-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676272860 1175433358 /nfs/dbraw/zinc/43/33/58/1175433358.db2.gz DWHGGPXESPAMIR-HOTGVXAUSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)CC1 ZINC000977650399 660409775 /nfs/dbraw/zinc/40/97/75/660409775.db2.gz CVGHJRAPLVMMLR-OAHLLOKOSA-N 2 1 307.438 0.151 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559126 660561887 /nfs/dbraw/zinc/56/18/87/660561887.db2.gz PJIJURNTEPKLBD-UAEIHBMGSA-N 2 1 317.433 0.330 20 30 DCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559126 660561888 /nfs/dbraw/zinc/56/18/88/660561888.db2.gz PJIJURNTEPKLBD-UAEIHBMGSA-N 2 1 317.433 0.330 20 30 DCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559126 660561889 /nfs/dbraw/zinc/56/18/89/660561889.db2.gz PJIJURNTEPKLBD-UAEIHBMGSA-N 2 1 317.433 0.330 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)CC1 ZINC000979087720 660659156 /nfs/dbraw/zinc/65/91/56/660659156.db2.gz KTNJXJNAJBQJRR-PHZGNYQRSA-N 2 1 307.413 0.595 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2cccnc2)N(C)C)C1 ZINC000980501829 660949871 /nfs/dbraw/zinc/94/98/71/660949871.db2.gz DIMZIZXSZGKLNA-HOTGVXAUSA-N 2 1 300.406 0.850 20 30 DCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208753 661101330 /nfs/dbraw/zinc/10/13/30/661101330.db2.gz BVNNEWUILLPHMO-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208753 661101332 /nfs/dbraw/zinc/10/13/32/661101332.db2.gz BVNNEWUILLPHMO-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208753 661101334 /nfs/dbraw/zinc/10/13/34/661101334.db2.gz BVNNEWUILLPHMO-CVEARBPZSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](C)OC)CC1 ZINC000981361540 661140060 /nfs/dbraw/zinc/14/00/60/661140060.db2.gz RTBGTVQQAAWFOD-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028094274 661154352 /nfs/dbraw/zinc/15/43/52/661154352.db2.gz WJWKACRCKRMIDD-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028094274 661154354 /nfs/dbraw/zinc/15/43/54/661154354.db2.gz WJWKACRCKRMIDD-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028094274 661154355 /nfs/dbraw/zinc/15/43/55/661154355.db2.gz WJWKACRCKRMIDD-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC000949244643 657491097 /nfs/dbraw/zinc/49/10/97/657491097.db2.gz SIXWHYACNKQKTI-UHFFFAOYSA-N 2 1 316.405 0.518 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673989 657550234 /nfs/dbraw/zinc/55/02/34/657550234.db2.gz MAULLAZGHIJBDZ-IAGOWNOFSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000971673989 657550238 /nfs/dbraw/zinc/55/02/38/657550238.db2.gz MAULLAZGHIJBDZ-IAGOWNOFSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970556132 657629055 /nfs/dbraw/zinc/62/90/55/657629055.db2.gz BKIATDHTRURBSU-CYBMUJFWSA-N 2 1 303.410 0.128 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537025 657662945 /nfs/dbraw/zinc/66/29/45/657662945.db2.gz CIQPFSYYDMMESZ-AEFFLSMTSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537025 657662953 /nfs/dbraw/zinc/66/29/53/657662953.db2.gz CIQPFSYYDMMESZ-AEFFLSMTSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972553130 657768581 /nfs/dbraw/zinc/76/85/81/657768581.db2.gz ZXVGSAIGKFUGQQ-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000972553130 657768585 /nfs/dbraw/zinc/76/85/85/657768585.db2.gz ZXVGSAIGKFUGQQ-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553130 657768589 /nfs/dbraw/zinc/76/85/89/657768589.db2.gz ZXVGSAIGKFUGQQ-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553130 657768595 /nfs/dbraw/zinc/76/85/95/657768595.db2.gz ZXVGSAIGKFUGQQ-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555384 658799434 /nfs/dbraw/zinc/79/94/34/658799434.db2.gz DHUYVQINEUGMAX-CQSZACIVSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245644 661314561 /nfs/dbraw/zinc/31/45/61/661314561.db2.gz MGMWROFINLZEGZ-NXHRZFHOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245644 661314563 /nfs/dbraw/zinc/31/45/63/661314563.db2.gz MGMWROFINLZEGZ-NXHRZFHOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245644 661314567 /nfs/dbraw/zinc/31/45/67/661314567.db2.gz MGMWROFINLZEGZ-NXHRZFHOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245644 661314570 /nfs/dbraw/zinc/31/45/70/661314570.db2.gz MGMWROFINLZEGZ-NXHRZFHOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982557118 661566792 /nfs/dbraw/zinc/56/67/92/661566792.db2.gz KLVCGEBFSPPDGL-ATLSCFEFSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982557118 661566796 /nfs/dbraw/zinc/56/67/96/661566796.db2.gz KLVCGEBFSPPDGL-ATLSCFEFSA-N 2 1 303.450 0.988 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592886 661663159 /nfs/dbraw/zinc/66/31/59/661663159.db2.gz UUELVYVSHFJKBS-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028592886 661663161 /nfs/dbraw/zinc/66/31/61/661663161.db2.gz UUELVYVSHFJKBS-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028592886 661663163 /nfs/dbraw/zinc/66/31/63/661663163.db2.gz UUELVYVSHFJKBS-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001029003003 661930046 /nfs/dbraw/zinc/93/00/46/661930046.db2.gz GMFXIHMFXIFZLO-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648015 665821930 /nfs/dbraw/zinc/82/19/30/665821930.db2.gz VMBBOIMNOXSHSO-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000896568551 662293375 /nfs/dbraw/zinc/29/33/75/662293375.db2.gz NYDYFWQRZXDCIX-HOCLYGCPSA-N 2 1 306.454 0.082 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001000693780 665911645 /nfs/dbraw/zinc/91/16/45/665911645.db2.gz SSCXITJSEPIQKF-UHFFFAOYSA-N 2 1 315.421 0.440 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC#CC)CC2)CC1 ZINC000989734795 662974892 /nfs/dbraw/zinc/97/48/92/662974892.db2.gz DDUXOHUKSSCLFL-UHFFFAOYSA-N 2 1 301.434 0.889 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC#CC)CC2)CC1 ZINC000989734795 662974893 /nfs/dbraw/zinc/97/48/93/662974893.db2.gz DDUXOHUKSSCLFL-UHFFFAOYSA-N 2 1 301.434 0.889 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCOC)CC1 ZINC001000788705 665928223 /nfs/dbraw/zinc/92/82/23/665928223.db2.gz XUKLTEGBSCKUNF-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCOC)CC1 ZINC001000788705 665928224 /nfs/dbraw/zinc/92/82/24/665928224.db2.gz XUKLTEGBSCKUNF-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCOC)CC1 ZINC001000788705 665928226 /nfs/dbraw/zinc/92/82/26/665928226.db2.gz XUKLTEGBSCKUNF-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCOC)CC1 ZINC001000788705 665928227 /nfs/dbraw/zinc/92/82/27/665928227.db2.gz XUKLTEGBSCKUNF-INIZCTEOSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001772513513 1157398572 /nfs/dbraw/zinc/39/85/72/1157398572.db2.gz AFJQAXDCRSLOKO-OAHLLOKOSA-N 2 1 311.470 0.739 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001772513513 1157398579 /nfs/dbraw/zinc/39/85/79/1157398579.db2.gz AFJQAXDCRSLOKO-OAHLLOKOSA-N 2 1 311.470 0.739 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001772513513 1157398586 /nfs/dbraw/zinc/39/85/86/1157398586.db2.gz AFJQAXDCRSLOKO-OAHLLOKOSA-N 2 1 311.470 0.739 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000911744016 664105050 /nfs/dbraw/zinc/10/50/50/664105050.db2.gz GAFDNTHMNPXGRG-OAHLLOKOSA-N 2 1 315.373 0.757 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000730284703 664676572 /nfs/dbraw/zinc/67/65/72/664676572.db2.gz ZEVLVUBISSQMRN-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000730284703 664676573 /nfs/dbraw/zinc/67/65/73/664676573.db2.gz ZEVLVUBISSQMRN-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992493414 664727346 /nfs/dbraw/zinc/72/73/46/664727346.db2.gz HYSVKUGIRRJNHB-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992493414 664727348 /nfs/dbraw/zinc/72/73/48/664727348.db2.gz HYSVKUGIRRJNHB-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992493414 664727349 /nfs/dbraw/zinc/72/73/49/664727349.db2.gz HYSVKUGIRRJNHB-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992493414 664727351 /nfs/dbraw/zinc/72/73/51/664727351.db2.gz HYSVKUGIRRJNHB-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC000992854608 664779746 /nfs/dbraw/zinc/77/97/46/664779746.db2.gz IKVLBBZXKIISIC-YESZJQIVSA-N 2 1 319.449 0.559 20 30 DCEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000925414528 664801733 /nfs/dbraw/zinc/80/17/33/664801733.db2.gz OTYWBRATURUQHK-ONWGRHNESA-N 2 1 304.394 0.443 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993987177 665023277 /nfs/dbraw/zinc/02/32/77/665023277.db2.gz MALVSSURRLZVLG-GOEBONIOSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993987177 665023278 /nfs/dbraw/zinc/02/32/78/665023278.db2.gz MALVSSURRLZVLG-GOEBONIOSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000919735588 665231673 /nfs/dbraw/zinc/23/16/73/665231673.db2.gz ZNTGKOXFEYISNS-HNNXBMFYSA-N 2 1 322.453 0.352 20 30 DCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689586 665291004 /nfs/dbraw/zinc/29/10/04/665291004.db2.gz WPRMMJVPGMATDW-HZPDHXFCSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000948069316 665291888 /nfs/dbraw/zinc/29/18/88/665291888.db2.gz FTVCLKOVECHDJY-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000921434263 665304123 /nfs/dbraw/zinc/30/41/23/665304123.db2.gz FKQPKMATPALBKU-XJKSGUPXSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529907 665312404 /nfs/dbraw/zinc/31/24/04/665312404.db2.gz ZYDSVHSBEOKYQW-XJADACSNSA-N 2 1 315.417 0.158 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529907 665312406 /nfs/dbraw/zinc/31/24/06/665312406.db2.gz ZYDSVHSBEOKYQW-XJADACSNSA-N 2 1 315.417 0.158 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529907 665312408 /nfs/dbraw/zinc/31/24/08/665312408.db2.gz ZYDSVHSBEOKYQW-XJADACSNSA-N 2 1 315.417 0.158 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941566358 666023608 /nfs/dbraw/zinc/02/36/08/666023608.db2.gz CSXWDEZYJQHDSK-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941566358 666023609 /nfs/dbraw/zinc/02/36/09/666023609.db2.gz CSXWDEZYJQHDSK-INIZCTEOSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCO)CC2)CC1 ZINC001001473168 666057115 /nfs/dbraw/zinc/05/71/15/666057115.db2.gz XXILBUKKWXORFG-UHFFFAOYSA-N 2 1 305.422 0.072 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001001490336 666060723 /nfs/dbraw/zinc/06/07/23/666060723.db2.gz SWEZDQVKSZMNRQ-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001001490336 666060726 /nfs/dbraw/zinc/06/07/26/666060726.db2.gz SWEZDQVKSZMNRQ-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942056435 666103900 /nfs/dbraw/zinc/10/39/00/666103900.db2.gz HCHFMNDTDPKBDO-GJZGRUSLSA-N 2 1 317.437 0.518 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002875634 666238266 /nfs/dbraw/zinc/23/82/66/666238266.db2.gz ONBKXDCSGZBVCG-HOTGVXAUSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)C[C@@H]2C)CC1 ZINC000945185362 666578303 /nfs/dbraw/zinc/57/83/03/666578303.db2.gz ZXAYZSDQFWSAOG-DOTOQJQBSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490430 666730694 /nfs/dbraw/zinc/73/06/94/666730694.db2.gz SDJVRBIBHARDHB-OAHLLOKOSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035412882 667336669 /nfs/dbraw/zinc/33/66/69/667336669.db2.gz YEVLUIHOZPAVLX-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035412882 667336671 /nfs/dbraw/zinc/33/66/71/667336671.db2.gz YEVLUIHOZPAVLX-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001035562004 667379052 /nfs/dbraw/zinc/37/90/52/667379052.db2.gz IOIZQKBAJTUNGK-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001035562004 667379053 /nfs/dbraw/zinc/37/90/53/667379053.db2.gz IOIZQKBAJTUNGK-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@@H](C)O)C2)CC1 ZINC001035724371 667404285 /nfs/dbraw/zinc/40/42/85/667404285.db2.gz CTLFMRRSYCFKHT-CVEARBPZSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@@H](C)O)C2)CC1 ZINC001035724371 667404286 /nfs/dbraw/zinc/40/42/86/667404286.db2.gz CTLFMRRSYCFKHT-CVEARBPZSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000884217781 667501910 /nfs/dbraw/zinc/50/19/10/667501910.db2.gz WIJKKEYGFQSVPW-YCPHGPKFSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000884217781 667501911 /nfs/dbraw/zinc/50/19/11/667501911.db2.gz WIJKKEYGFQSVPW-YCPHGPKFSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000884217781 667501912 /nfs/dbraw/zinc/50/19/12/667501912.db2.gz WIJKKEYGFQSVPW-YCPHGPKFSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000884217781 667501913 /nfs/dbraw/zinc/50/19/13/667501913.db2.gz WIJKKEYGFQSVPW-YCPHGPKFSA-N 2 1 304.438 0.866 20 30 DCEDMP C=CCC1(O)CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000887306697 667868764 /nfs/dbraw/zinc/86/87/64/667868764.db2.gz ZJFADIUCQJFFKW-CQSZACIVSA-N 2 1 323.437 0.469 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000890371659 668123977 /nfs/dbraw/zinc/12/39/77/668123977.db2.gz AESOUSBOQWDDGV-JKSUJKDBSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000890371659 668123981 /nfs/dbraw/zinc/12/39/81/668123981.db2.gz AESOUSBOQWDDGV-JKSUJKDBSA-N 2 1 304.438 0.964 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876783571 668510771 /nfs/dbraw/zinc/51/07/71/668510771.db2.gz HFZXCHVYBOOQDI-KGLIPLIRSA-N 2 1 314.861 0.695 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000876880203 668526721 /nfs/dbraw/zinc/52/67/21/668526721.db2.gz GIPWHWWHZUSFEB-ZDUSSCGKSA-N 2 1 302.850 0.552 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCOCC[NH+](CC)CC)C1 ZINC000888799864 669160345 /nfs/dbraw/zinc/16/03/45/669160345.db2.gz RORWAMHJBZMIDX-INIZCTEOSA-N 2 1 324.469 0.742 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCOCC[NH+](CC)CC)C1 ZINC000888799864 669160348 /nfs/dbraw/zinc/16/03/48/669160348.db2.gz RORWAMHJBZMIDX-INIZCTEOSA-N 2 1 324.469 0.742 20 30 DCEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949244566 670295851 /nfs/dbraw/zinc/29/58/51/670295851.db2.gz NZLZUOUHYDVPTQ-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000304824667 685211763 /nfs/dbraw/zinc/21/17/63/685211763.db2.gz FWSRGSPZAVMTTA-CABCVRRESA-N 3 1 313.490 0.732 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171745 687403501 /nfs/dbraw/zinc/40/35/01/687403501.db2.gz LERXYJFRGLJBBL-CABCVRRESA-N 2 1 307.438 0.457 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](O)C1 ZINC000958199279 687428958 /nfs/dbraw/zinc/42/89/58/687428958.db2.gz GLKXRSUJSOEFSH-CZUORRHYSA-N 2 1 314.389 0.851 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266755 687494589 /nfs/dbraw/zinc/49/45/89/687494589.db2.gz CFACDCQAONUHKA-ZBFHGGJFSA-N 2 1 312.373 0.380 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344424 687563240 /nfs/dbraw/zinc/56/32/40/687563240.db2.gz HLGDLNMCULLROT-CABCVRRESA-N 2 1 319.405 0.387 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958555761 687742510 /nfs/dbraw/zinc/74/25/10/687742510.db2.gz NNXJHPIRKKJJGG-HOTGVXAUSA-N 2 1 309.454 0.702 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597776 687785193 /nfs/dbraw/zinc/78/51/93/687785193.db2.gz GBMIFYWYFCZXDE-XJKSGUPXSA-N 2 1 316.405 0.193 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597776 687785207 /nfs/dbraw/zinc/78/52/07/687785207.db2.gz GBMIFYWYFCZXDE-XJKSGUPXSA-N 2 1 316.405 0.193 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958600355 687786438 /nfs/dbraw/zinc/78/64/38/687786438.db2.gz ZLQZKRZZOXSXFX-CJNGLKHVSA-N 2 1 316.405 0.193 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958599582 687786697 /nfs/dbraw/zinc/78/66/97/687786697.db2.gz RQGISFHVOZFCNL-BBRMVZONSA-N 2 1 318.421 0.746 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958599582 687786700 /nfs/dbraw/zinc/78/67/00/687786700.db2.gz RQGISFHVOZFCNL-BBRMVZONSA-N 2 1 318.421 0.746 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000960264716 688339486 /nfs/dbraw/zinc/33/94/86/688339486.db2.gz IGZRDOYXEOZJEX-VVLHAWIVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000960264716 688339492 /nfs/dbraw/zinc/33/94/92/688339492.db2.gz IGZRDOYXEOZJEX-VVLHAWIVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000960264716 688339497 /nfs/dbraw/zinc/33/94/97/688339497.db2.gz IGZRDOYXEOZJEX-VVLHAWIVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000964670955 689286122 /nfs/dbraw/zinc/28/61/22/689286122.db2.gz WQGGJFBZTRGMJN-HVEGKCCWSA-N 2 1 319.449 0.746 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000964670955 689286128 /nfs/dbraw/zinc/28/61/28/689286128.db2.gz WQGGJFBZTRGMJN-HVEGKCCWSA-N 2 1 319.449 0.746 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)COC)CC1 ZINC001039042255 694284057 /nfs/dbraw/zinc/28/40/57/694284057.db2.gz OKAAQDPVPFOPSZ-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCO)CC[C@@H]2C)CC1 ZINC000968682778 690365067 /nfs/dbraw/zinc/36/50/67/690365067.db2.gz UJUMHRQRBWSGRZ-HOCLYGCPSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000968954415 690434445 /nfs/dbraw/zinc/43/44/45/690434445.db2.gz JROPLHMZMBTSFW-ZACQAIPSSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000968954415 690434448 /nfs/dbraw/zinc/43/44/48/690434448.db2.gz JROPLHMZMBTSFW-ZACQAIPSSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001424692 690544648 /nfs/dbraw/zinc/54/46/48/690544648.db2.gz KVBSCARVVXIBMV-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001009628471 691077316 /nfs/dbraw/zinc/07/73/16/691077316.db2.gz OVBNZLVQUASRGO-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC#CC)C2)CC1 ZINC001009625680 691077511 /nfs/dbraw/zinc/07/75/11/691077511.db2.gz GAXMBWLYZOKVMI-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC#CC)C2)CC1 ZINC001009625680 691077513 /nfs/dbraw/zinc/07/75/13/691077513.db2.gz GAXMBWLYZOKVMI-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001018985768 693307092 /nfs/dbraw/zinc/30/70/92/693307092.db2.gz DOGGDIXCDKSURO-HOCLYGCPSA-N 2 1 315.421 0.208 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001018985768 693307095 /nfs/dbraw/zinc/30/70/95/693307095.db2.gz DOGGDIXCDKSURO-HOCLYGCPSA-N 2 1 315.421 0.208 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001019800573 693590689 /nfs/dbraw/zinc/59/06/89/693590689.db2.gz PLWLDKAHIKJGSP-QWHCGFSZSA-N 2 1 301.818 0.650 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800573 693590692 /nfs/dbraw/zinc/59/06/92/693590692.db2.gz PLWLDKAHIKJGSP-QWHCGFSZSA-N 2 1 301.818 0.650 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760771 694661174 /nfs/dbraw/zinc/66/11/74/694661174.db2.gz NEZXMJKSGFIZRM-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760771 694661175 /nfs/dbraw/zinc/66/11/75/694661175.db2.gz NEZXMJKSGFIZRM-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760771 694661176 /nfs/dbraw/zinc/66/11/76/694661176.db2.gz NEZXMJKSGFIZRM-HOTGVXAUSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001073049910 694698881 /nfs/dbraw/zinc/69/88/81/694698881.db2.gz AWLADNOZAVDIDY-UHFFFAOYSA-N 2 1 315.421 0.226 20 30 DCEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059670 694699585 /nfs/dbraw/zinc/69/95/85/694699585.db2.gz OZJAGILTFAOVSI-UHFFFAOYSA-N 2 1 307.438 0.819 20 30 DCEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059670 694699586 /nfs/dbraw/zinc/69/95/86/694699586.db2.gz OZJAGILTFAOVSI-UHFFFAOYSA-N 2 1 307.438 0.819 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087577 694703934 /nfs/dbraw/zinc/70/39/34/694703934.db2.gz ZZMIQPYULFJEMM-UHFFFAOYSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076361844 695016720 /nfs/dbraw/zinc/01/67/20/695016720.db2.gz OHDVKBLAZFAQLI-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076361844 695016721 /nfs/dbraw/zinc/01/67/21/695016721.db2.gz OHDVKBLAZFAQLI-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]32)CC1 ZINC001076605530 695032269 /nfs/dbraw/zinc/03/22/69/695032269.db2.gz FHRXWYVOEQSRLU-DLBZAZTESA-N 2 1 319.449 0.247 20 30 DCEDMP COCC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001571352278 1162715350 /nfs/dbraw/zinc/71/53/50/1162715350.db2.gz FLCOKLSPKVQEPI-HZPDHXFCSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001571462986 1162769621 /nfs/dbraw/zinc/76/96/21/1162769621.db2.gz NDXRXPUSMMBQQE-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001571525684 1162795804 /nfs/dbraw/zinc/79/58/04/1162795804.db2.gz VRZUSMPDULCTDO-GDBMZVCRSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001672004038 1157405791 /nfs/dbraw/zinc/40/57/91/1157405791.db2.gz RLHFBZKMDNYWOH-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001672004038 1157405794 /nfs/dbraw/zinc/40/57/94/1157405794.db2.gz RLHFBZKMDNYWOH-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001672004038 1157405796 /nfs/dbraw/zinc/40/57/96/1157405796.db2.gz RLHFBZKMDNYWOH-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001692245005 1157720018 /nfs/dbraw/zinc/72/00/18/1157720018.db2.gz KSGBERUSOLYCSM-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001754600548 1157791330 /nfs/dbraw/zinc/79/13/30/1157791330.db2.gz DXRWLKCUQCWDAO-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001752121354 1157837229 /nfs/dbraw/zinc/83/72/29/1157837229.db2.gz IFOKSXLDYWCVKG-OAHLLOKOSA-N 2 1 322.453 0.034 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001176132227 1158850653 /nfs/dbraw/zinc/85/06/53/1158850653.db2.gz AFYCAAOCUXKYPK-AWEZNQCLSA-N 2 1 319.409 0.074 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1OCC ZINC001565956679 1159929516 /nfs/dbraw/zinc/92/95/16/1159929516.db2.gz GZTAFFZIORTHBP-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001566640212 1160107474 /nfs/dbraw/zinc/10/74/74/1160107474.db2.gz WUVXVMKHDUUEED-INIZCTEOSA-N 2 1 321.469 0.507 20 30 DCEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001566640212 1160107477 /nfs/dbraw/zinc/10/74/77/1160107477.db2.gz WUVXVMKHDUUEED-INIZCTEOSA-N 2 1 321.469 0.507 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCC=C)C2)CC1 ZINC001566682080 1160127715 /nfs/dbraw/zinc/12/77/15/1160127715.db2.gz OAPKREKNDNYGJK-KRWDZBQOSA-N 2 1 319.449 0.725 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001566839323 1160165481 /nfs/dbraw/zinc/16/54/81/1160165481.db2.gz VHSBMHWNRNTASA-XPABHHOTSA-N 2 1 322.453 0.254 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001566929284 1160188307 /nfs/dbraw/zinc/18/83/07/1160188307.db2.gz XGLBFLXLZKMTPX-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001566929284 1160188309 /nfs/dbraw/zinc/18/83/09/1160188309.db2.gz XGLBFLXLZKMTPX-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001566929284 1160188310 /nfs/dbraw/zinc/18/83/10/1160188310.db2.gz XGLBFLXLZKMTPX-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001566929284 1160188311 /nfs/dbraw/zinc/18/83/11/1160188311.db2.gz XGLBFLXLZKMTPX-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001567899523 1160523747 /nfs/dbraw/zinc/52/37/47/1160523747.db2.gz XNIHSQRGGSXNKH-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001567899523 1160523751 /nfs/dbraw/zinc/52/37/51/1160523751.db2.gz XNIHSQRGGSXNKH-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001567899523 1160523755 /nfs/dbraw/zinc/52/37/55/1160523755.db2.gz XNIHSQRGGSXNKH-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001567899523 1160523759 /nfs/dbraw/zinc/52/37/59/1160523759.db2.gz XNIHSQRGGSXNKH-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001569854412 1161285482 /nfs/dbraw/zinc/28/54/82/1161285482.db2.gz BJWZONGJUHXKPS-CVEARBPZSA-N 2 1 309.454 0.661 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001569950667 1161343201 /nfs/dbraw/zinc/34/32/01/1161343201.db2.gz QKCQWFXJSIOESR-HOTGVXAUSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001570142622 1161438404 /nfs/dbraw/zinc/43/84/04/1161438404.db2.gz QLPRNCZJVUBACJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C[C@H](COC)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001574872135 1163780693 /nfs/dbraw/zinc/78/06/93/1163780693.db2.gz HFHIDIFGFGUJSZ-BMFZPTHFSA-N 2 1 322.453 0.798 20 30 DCEDMP CN(C(=O)[C@H]([NH3+])CCCCC#N)C(C)(C)C[NH+]1CCOCC1 ZINC001578368065 1164988784 /nfs/dbraw/zinc/98/87/84/1164988784.db2.gz IATQVKQQHMUHET-CQSZACIVSA-N 2 1 310.442 0.967 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001580044002 1165483825 /nfs/dbraw/zinc/48/38/25/1165483825.db2.gz VEKFEZUBJVZVET-ILXRZTDVSA-N 2 1 305.426 0.662 20 30 DCEDMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C2 ZINC001646009543 1172215163 /nfs/dbraw/zinc/21/51/63/1172215163.db2.gz CJAFHTSNLBFCAO-ZIAGYGMSSA-N 2 1 320.437 0.932 20 30 DCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC[C@H]21 ZINC001646151432 1172275720 /nfs/dbraw/zinc/27/57/20/1172275720.db2.gz HILLAIXOYUASMG-RJZXRHAOSA-N 2 1 302.422 0.678 20 30 DCEDMP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001656784855 1173885599 /nfs/dbraw/zinc/88/55/99/1173885599.db2.gz ZYQJDXJDCOUSDK-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001656784855 1173885604 /nfs/dbraw/zinc/88/56/04/1173885604.db2.gz ZYQJDXJDCOUSDK-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001656784855 1173885613 /nfs/dbraw/zinc/88/56/13/1173885613.db2.gz ZYQJDXJDCOUSDK-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001661639989 1174143448 /nfs/dbraw/zinc/14/34/48/1174143448.db2.gz AXZFSIDUVXHTNQ-ZQDZILKHSA-N 2 1 322.453 0.256 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001664771722 1174456510 /nfs/dbraw/zinc/45/65/10/1174456510.db2.gz GZWACLBLTXKYSD-UHFFFAOYSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001665412864 1174516605 /nfs/dbraw/zinc/51/66/05/1174516605.db2.gz GZYDWPNATLHCOG-JYJNAYRXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001665412864 1174516612 /nfs/dbraw/zinc/51/66/12/1174516612.db2.gz GZYDWPNATLHCOG-JYJNAYRXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001665412864 1174516619 /nfs/dbraw/zinc/51/66/19/1174516619.db2.gz GZYDWPNATLHCOG-JYJNAYRXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001665412864 1174516629 /nfs/dbraw/zinc/51/66/29/1174516629.db2.gz GZYDWPNATLHCOG-JYJNAYRXSA-N 2 1 307.438 0.816 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001665671329 1174549187 /nfs/dbraw/zinc/54/91/87/1174549187.db2.gz ZWVKPSQPGNVDBI-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001665671329 1174549192 /nfs/dbraw/zinc/54/91/92/1174549192.db2.gz ZWVKPSQPGNVDBI-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001665686450 1174550278 /nfs/dbraw/zinc/55/02/78/1174550278.db2.gz JZTWUGMRSMDADX-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001665686450 1174550284 /nfs/dbraw/zinc/55/02/84/1174550284.db2.gz JZTWUGMRSMDADX-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001665686450 1174550292 /nfs/dbraw/zinc/55/02/92/1174550292.db2.gz JZTWUGMRSMDADX-CQSZACIVSA-N 2 1 310.442 0.162 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001665687131 1174550334 /nfs/dbraw/zinc/55/03/34/1174550334.db2.gz XNJHALMVTWCATK-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001669424353 1174926352 /nfs/dbraw/zinc/92/63/52/1174926352.db2.gz IAJZZUJVTBDUMI-CQSZACIVSA-N 2 1 306.410 0.716 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001669681797 1174943388 /nfs/dbraw/zinc/94/33/88/1174943388.db2.gz NWEHYJWVXKYXII-GJZGRUSLSA-N 2 1 324.469 0.646 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001672247974 1175092681 /nfs/dbraw/zinc/09/26/81/1175092681.db2.gz ZSDXQIQDEWGIBI-HOCLYGCPSA-N 2 1 318.421 0.668 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001672491611 1175116250 /nfs/dbraw/zinc/11/62/50/1175116250.db2.gz LSKFGLUFNVTWAB-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001672491611 1175116256 /nfs/dbraw/zinc/11/62/56/1175116256.db2.gz LSKFGLUFNVTWAB-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CCC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001675159576 1175332822 /nfs/dbraw/zinc/33/28/22/1175332822.db2.gz AUTALIMOSJAKCI-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001676272861 1175434002 /nfs/dbraw/zinc/43/40/02/1175434002.db2.gz DWHGGPXESPAMIR-HZPDHXFCSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001676584213 1175463234 /nfs/dbraw/zinc/46/32/34/1175463234.db2.gz QZWPLKLBEIOKHM-BBRMVZONSA-N 2 1 315.433 0.842 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001676692138 1175476483 /nfs/dbraw/zinc/47/64/83/1175476483.db2.gz AVFRUUZUMRAUPC-ZIAGYGMSSA-N 2 1 310.442 0.208 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001676959273 1175508181 /nfs/dbraw/zinc/50/81/81/1175508181.db2.gz UEUJSGXNEFEMDY-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001677174639 1175544576 /nfs/dbraw/zinc/54/45/76/1175544576.db2.gz QKZIDVJRWKPDAF-KRWDZBQOSA-N 2 1 317.433 0.746 20 30 DCEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC#CC[NH+](C)C ZINC001687889150 1175590803 /nfs/dbraw/zinc/59/08/03/1175590803.db2.gz NYSQFNZZXXFYQA-UHFFFAOYSA-N 2 1 323.485 0.219 20 30 DCEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC#CC[NH+](C)C ZINC001687889150 1175590809 /nfs/dbraw/zinc/59/08/09/1175590809.db2.gz NYSQFNZZXXFYQA-UHFFFAOYSA-N 2 1 323.485 0.219 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001691757211 1175656113 /nfs/dbraw/zinc/65/61/13/1175656113.db2.gz HOKMVBYDTKMLGI-HIFRSBDPSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001691757211 1175656117 /nfs/dbraw/zinc/65/61/17/1175656117.db2.gz HOKMVBYDTKMLGI-HIFRSBDPSA-N 2 1 306.410 0.973 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001689259966 1176774233 /nfs/dbraw/zinc/77/42/33/1176774233.db2.gz SFRCYKBUBUYLON-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001689259966 1176774237 /nfs/dbraw/zinc/77/42/37/1176774237.db2.gz SFRCYKBUBUYLON-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001689793475 1177044663 /nfs/dbraw/zinc/04/46/63/1177044663.db2.gz MAUJTSTVBGJQIN-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001689793475 1177044673 /nfs/dbraw/zinc/04/46/73/1177044673.db2.gz MAUJTSTVBGJQIN-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001689793475 1177044681 /nfs/dbraw/zinc/04/46/81/1177044681.db2.gz MAUJTSTVBGJQIN-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001689807427 1177066018 /nfs/dbraw/zinc/06/60/18/1177066018.db2.gz UWCYOOACIOVKSY-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001689965006 1177130612 /nfs/dbraw/zinc/13/06/12/1177130612.db2.gz FFHGPTIMEJKVHJ-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001689965006 1177130617 /nfs/dbraw/zinc/13/06/17/1177130617.db2.gz FFHGPTIMEJKVHJ-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001689965006 1177130621 /nfs/dbraw/zinc/13/06/21/1177130621.db2.gz FFHGPTIMEJKVHJ-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001690074479 1177162784 /nfs/dbraw/zinc/16/27/84/1177162784.db2.gz FOBPKPIWVQOYIS-QGZVFWFLSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001690074479 1177162788 /nfs/dbraw/zinc/16/27/88/1177162788.db2.gz FOBPKPIWVQOYIS-QGZVFWFLSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001690448120 1177245745 /nfs/dbraw/zinc/24/57/45/1177245745.db2.gz DRMULJSKRKQWFO-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001690448120 1177245748 /nfs/dbraw/zinc/24/57/48/1177245748.db2.gz DRMULJSKRKQWFO-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC#CCOC)[NH+](C)C ZINC001690454255 1177248912 /nfs/dbraw/zinc/24/89/12/1177248912.db2.gz AAASLLWFSDMBNJ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC#CCOC)[NH+](C)C ZINC001690454255 1177248918 /nfs/dbraw/zinc/24/89/18/1177248918.db2.gz AAASLLWFSDMBNJ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001692037095 1177406988 /nfs/dbraw/zinc/40/69/88/1177406988.db2.gz UCFFQBLEQHUOOG-SJORKVTESA-N 2 1 321.465 0.800 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001692076212 1177412114 /nfs/dbraw/zinc/41/21/14/1177412114.db2.gz FACRVBJJZAPSQQ-CVEARBPZSA-N 2 1 307.438 0.368 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccnn1C ZINC001698602614 1177579490 /nfs/dbraw/zinc/57/94/90/1177579490.db2.gz LGQRSCCWONHZHL-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccnn1C ZINC001698602614 1177579493 /nfs/dbraw/zinc/57/94/93/1177579493.db2.gz LGQRSCCWONHZHL-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001698787718 1177657948 /nfs/dbraw/zinc/65/79/48/1177657948.db2.gz GMQJAJDUSMUBTP-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001698787718 1177657954 /nfs/dbraw/zinc/65/79/54/1177657954.db2.gz GMQJAJDUSMUBTP-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@H+](C)CCC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001698955704 1177737254 /nfs/dbraw/zinc/73/72/54/1177737254.db2.gz WKTVNWVDGHJDAM-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001698955704 1177737259 /nfs/dbraw/zinc/73/72/59/1177737259.db2.gz WKTVNWVDGHJDAM-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699003458 1177763960 /nfs/dbraw/zinc/76/39/60/1177763960.db2.gz XBQYRIPVHUCETJ-INIZCTEOSA-N 2 1 307.438 0.368 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CCCC1 ZINC001699802290 1178290087 /nfs/dbraw/zinc/29/00/87/1178290087.db2.gz XTJXYQLGSONGQN-INIZCTEOSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC1(O)CN([C@@H](C)CCC=C)C1 ZINC001699916007 1178375253 /nfs/dbraw/zinc/37/52/53/1178375253.db2.gz LHYGQNOVQWDHDY-HOTGVXAUSA-N 2 1 319.449 0.602 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001699990558 1178409119 /nfs/dbraw/zinc/40/91/19/1178409119.db2.gz DWJGCCGNWVZGMK-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001699990558 1178409122 /nfs/dbraw/zinc/40/91/22/1178409122.db2.gz DWJGCCGNWVZGMK-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001699990558 1178409124 /nfs/dbraw/zinc/40/91/24/1178409124.db2.gz DWJGCCGNWVZGMK-ZACQAIPSSA-N 2 1 321.465 0.921 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOCC)C1 ZINC001700065193 1178467451 /nfs/dbraw/zinc/46/74/51/1178467451.db2.gz INXSNLFLAAKMBQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOCC)C1 ZINC001700065193 1178467453 /nfs/dbraw/zinc/46/74/53/1178467453.db2.gz INXSNLFLAAKMBQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001700233388 1178544263 /nfs/dbraw/zinc/54/42/63/1178544263.db2.gz PNZRSIYTLBPVCZ-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001700233389 1178545141 /nfs/dbraw/zinc/54/51/41/1178545141.db2.gz PNZRSIYTLBPVCZ-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001700399700 1178607857 /nfs/dbraw/zinc/60/78/57/1178607857.db2.gz ZDOJJSVGSGBPOV-WLYUNCDWSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001700399699 1178607870 /nfs/dbraw/zinc/60/78/70/1178607870.db2.gz ZDOJJSVGSGBPOV-NFOMZHRRSA-N 2 1 322.453 0.115 20 30 DCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001700732079 1178724246 /nfs/dbraw/zinc/72/42/46/1178724246.db2.gz CYOFMZVUNFVYLO-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001700960194 1178834746 /nfs/dbraw/zinc/83/47/46/1178834746.db2.gz GBUBPXFSOHGQJU-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001700960194 1178834753 /nfs/dbraw/zinc/83/47/53/1178834753.db2.gz GBUBPXFSOHGQJU-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001700960194 1178834760 /nfs/dbraw/zinc/83/47/60/1178834760.db2.gz GBUBPXFSOHGQJU-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001700960194 1178834767 /nfs/dbraw/zinc/83/47/67/1178834767.db2.gz GBUBPXFSOHGQJU-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713168815 1180705943 /nfs/dbraw/zinc/70/59/43/1180705943.db2.gz WSTRCLDSTZCKFB-AJNGGQMLSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001714125511 1181255361 /nfs/dbraw/zinc/25/53/61/1181255361.db2.gz XAEKGPSOXKEZBC-LSDHHAIUSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccn1 ZINC001714244225 1181292661 /nfs/dbraw/zinc/29/26/61/1181292661.db2.gz PTAGRQDXXADACJ-HOCLYGCPSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccn1 ZINC001714244225 1181292666 /nfs/dbraw/zinc/29/26/66/1181292666.db2.gz PTAGRQDXXADACJ-HOCLYGCPSA-N 2 1 300.406 0.774 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001714634336 1181453577 /nfs/dbraw/zinc/45/35/77/1181453577.db2.gz LYSAVRDRELSWHQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001714634336 1181453580 /nfs/dbraw/zinc/45/35/80/1181453580.db2.gz LYSAVRDRELSWHQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714634336 1181453583 /nfs/dbraw/zinc/45/35/83/1181453583.db2.gz LYSAVRDRELSWHQ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001714640926 1181457350 /nfs/dbraw/zinc/45/73/50/1181457350.db2.gz DJQUFLDIEMJDLF-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714640926 1181457355 /nfs/dbraw/zinc/45/73/55/1181457355.db2.gz DJQUFLDIEMJDLF-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714640926 1181457365 /nfs/dbraw/zinc/45/73/65/1181457365.db2.gz DJQUFLDIEMJDLF-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cnns2)CC1 ZINC001714796356 1181553039 /nfs/dbraw/zinc/55/30/39/1181553039.db2.gz FTJHBYQKIKNWTG-UHFFFAOYSA-N 2 1 321.450 0.431 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCCO)CC1 ZINC001714913171 1181597906 /nfs/dbraw/zinc/59/79/06/1181597906.db2.gz JZSGATFXEYRELN-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCCO)CC1 ZINC001714913171 1181597911 /nfs/dbraw/zinc/59/79/11/1181597911.db2.gz JZSGATFXEYRELN-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCCO)CC1 ZINC001714913171 1181597918 /nfs/dbraw/zinc/59/79/18/1181597918.db2.gz JZSGATFXEYRELN-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCCO)CC1 ZINC001714913171 1181597922 /nfs/dbraw/zinc/59/79/22/1181597922.db2.gz JZSGATFXEYRELN-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001715347506 1181782097 /nfs/dbraw/zinc/78/20/97/1181782097.db2.gz JCWAJMNFRBLSDQ-OCCSQVGLSA-N 2 1 321.425 0.319 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001716696281 1182498315 /nfs/dbraw/zinc/49/83/15/1182498315.db2.gz CQFJSHAQHGZTKV-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCO)CC1 ZINC001716806475 1182531476 /nfs/dbraw/zinc/53/14/76/1182531476.db2.gz BDGRQCXQGZXTHY-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](C(C)C)C2)CC1 ZINC001716930372 1182586070 /nfs/dbraw/zinc/58/60/70/1182586070.db2.gz RWDHVPRLURJKST-KRWDZBQOSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCOCC1 ZINC001717267689 1182758073 /nfs/dbraw/zinc/75/80/73/1182758073.db2.gz XGDYROUXDLTDJL-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001717783721 1182999493 /nfs/dbraw/zinc/99/94/93/1182999493.db2.gz COEZZHFVQAFMRY-QGZVFWFLSA-N 2 1 317.433 0.445 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCOCC)CC1 ZINC001722915160 1184232334 /nfs/dbraw/zinc/23/23/34/1184232334.db2.gz FOGXRGXCQPVDDX-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001723632353 1184332393 /nfs/dbraw/zinc/33/23/93/1184332393.db2.gz PWOPWLHKLGHDIS-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001723632353 1184332397 /nfs/dbraw/zinc/33/23/97/1184332397.db2.gz PWOPWLHKLGHDIS-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001724109054 1184377877 /nfs/dbraw/zinc/37/78/77/1184377877.db2.gz JDFDWTHAUOWAQT-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001724109054 1184377880 /nfs/dbraw/zinc/37/78/80/1184377880.db2.gz JDFDWTHAUOWAQT-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001724400793 1184429377 /nfs/dbraw/zinc/42/93/77/1184429377.db2.gz FHILFPRCHYGBFK-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001724400793 1184429381 /nfs/dbraw/zinc/42/93/81/1184429381.db2.gz FHILFPRCHYGBFK-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001724400793 1184429384 /nfs/dbraw/zinc/42/93/84/1184429384.db2.gz FHILFPRCHYGBFK-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724630406 1184481401 /nfs/dbraw/zinc/48/14/01/1184481401.db2.gz CPJJATWUCVUBNA-HNNXBMFYSA-N 2 1 306.454 0.132 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001724642275 1184493190 /nfs/dbraw/zinc/49/31/90/1184493190.db2.gz ROBJMDFPYQXKAT-KRWDZBQOSA-N 2 1 309.454 0.847 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001724841979 1184587513 /nfs/dbraw/zinc/58/75/13/1184587513.db2.gz GLHKEWAMTOOJSY-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725049100 1184666823 /nfs/dbraw/zinc/66/68/23/1184666823.db2.gz MNWCZESIQDESMI-INIZCTEOSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001725061054 1184670327 /nfs/dbraw/zinc/67/03/27/1184670327.db2.gz VHWQQGIJWKJPPZ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001725061054 1184670331 /nfs/dbraw/zinc/67/03/31/1184670331.db2.gz VHWQQGIJWKJPPZ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOCC=C)C1 ZINC001725779159 1184992053 /nfs/dbraw/zinc/99/20/53/1184992053.db2.gz CBJQZPRNHLZVOW-JCYILVPMSA-N 2 1 319.449 0.866 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOCC=C)C1 ZINC001725779159 1184992060 /nfs/dbraw/zinc/99/20/60/1184992060.db2.gz CBJQZPRNHLZVOW-JCYILVPMSA-N 2 1 319.449 0.866 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001731528696 1185376233 /nfs/dbraw/zinc/37/62/33/1185376233.db2.gz GZFGIYKPCCJCTF-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001731565930 1185392673 /nfs/dbraw/zinc/39/26/73/1185392673.db2.gz WIJPLXNYJGYUBC-YXISZKLHSA-N 2 1 319.449 0.555 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001731876965 1185545519 /nfs/dbraw/zinc/54/55/19/1185545519.db2.gz KFVZJKLBOZERHD-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001731876965 1185545523 /nfs/dbraw/zinc/54/55/23/1185545523.db2.gz KFVZJKLBOZERHD-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001731876965 1185545529 /nfs/dbraw/zinc/54/55/29/1185545529.db2.gz KFVZJKLBOZERHD-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+](C)CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001733779167 1186443796 /nfs/dbraw/zinc/44/37/96/1186443796.db2.gz IXDYFBFWLRSJKK-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC1CCC1 ZINC001734519637 1186674187 /nfs/dbraw/zinc/67/41/87/1186674187.db2.gz SWEBLNGKYNRCSK-CVEARBPZSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC1CCC1 ZINC001734519637 1186674194 /nfs/dbraw/zinc/67/41/94/1186674194.db2.gz SWEBLNGKYNRCSK-CVEARBPZSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001734541777 1186684518 /nfs/dbraw/zinc/68/45/18/1186684518.db2.gz KNLQJXMMGDDRCE-CQSZACIVSA-N 2 1 306.410 0.391 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001734541777 1186684521 /nfs/dbraw/zinc/68/45/21/1186684521.db2.gz KNLQJXMMGDDRCE-CQSZACIVSA-N 2 1 306.410 0.391 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001752958875 1188467778 /nfs/dbraw/zinc/46/77/78/1188467778.db2.gz RAGSCAUQEHMBTQ-AEFFLSMTSA-N 2 1 319.449 0.560 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001753095149 1188496458 /nfs/dbraw/zinc/49/64/58/1188496458.db2.gz YOLCGFWOFKTOAF-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001753095148 1188497188 /nfs/dbraw/zinc/49/71/88/1188497188.db2.gz YOLCGFWOFKTOAF-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001753160168 1188518593 /nfs/dbraw/zinc/51/85/93/1188518593.db2.gz UOLGSVOMOKILHO-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001753160168 1188518595 /nfs/dbraw/zinc/51/85/95/1188518595.db2.gz UOLGSVOMOKILHO-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001753160168 1188518597 /nfs/dbraw/zinc/51/85/97/1188518597.db2.gz UOLGSVOMOKILHO-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001753340165 1188567909 /nfs/dbraw/zinc/56/79/09/1188567909.db2.gz ZAMPSWVHIKABLC-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001754770062 1188931343 /nfs/dbraw/zinc/93/13/43/1188931343.db2.gz WGQZZZKMMCSVCI-CABCVRRESA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001754770062 1188931345 /nfs/dbraw/zinc/93/13/45/1188931345.db2.gz WGQZZZKMMCSVCI-CABCVRRESA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001755150649 1189037044 /nfs/dbraw/zinc/03/70/44/1189037044.db2.gz DYRPSKUURUCJEE-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755382350 1189097385 /nfs/dbraw/zinc/09/73/85/1189097385.db2.gz OAPQENOAGBJBOO-AWEZNQCLSA-N 2 1 307.438 0.415 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(CC#CCOC)C1 ZINC001755390681 1189100443 /nfs/dbraw/zinc/10/04/43/1189100443.db2.gz XIUYGOVLQARHIN-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001755390681 1189100446 /nfs/dbraw/zinc/10/04/46/1189100446.db2.gz XIUYGOVLQARHIN-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001755390681 1189100447 /nfs/dbraw/zinc/10/04/47/1189100447.db2.gz XIUYGOVLQARHIN-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755800369 1189221125 /nfs/dbraw/zinc/22/11/25/1189221125.db2.gz HLBJZKWETYALFZ-CVEARBPZSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001755839911 1189232235 /nfs/dbraw/zinc/23/22/35/1189232235.db2.gz NVZARJIYVOEFQH-CQSZACIVSA-N 2 1 324.469 0.197 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001755865596 1189239630 /nfs/dbraw/zinc/23/96/30/1189239630.db2.gz JWUKQQMOONBMGQ-WLYUNCDWSA-N 2 1 324.469 0.596 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001098461282 761885036 /nfs/dbraw/zinc/88/50/36/761885036.db2.gz ZVLPCRSTRVQTPN-HOTGVXAUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001098461282 761885046 /nfs/dbraw/zinc/88/50/46/761885046.db2.gz ZVLPCRSTRVQTPN-HOTGVXAUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001098461282 761885057 /nfs/dbraw/zinc/88/50/57/761885057.db2.gz ZVLPCRSTRVQTPN-HOTGVXAUSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561267 747340434 /nfs/dbraw/zinc/34/04/34/747340434.db2.gz YZJYNLCYSMLUIH-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098561267 747340444 /nfs/dbraw/zinc/34/04/44/747340444.db2.gz YZJYNLCYSMLUIH-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098561267 747340452 /nfs/dbraw/zinc/34/04/52/747340452.db2.gz YZJYNLCYSMLUIH-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)[NH+](C)C)C2)nn1 ZINC001105268285 748093067 /nfs/dbraw/zinc/09/30/67/748093067.db2.gz ICLRPYWHBNWGBZ-CQSZACIVSA-N 2 1 306.414 0.277 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361198 748491185 /nfs/dbraw/zinc/49/11/85/748491185.db2.gz SYYVGBXUNRDIGR-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361198 748491187 /nfs/dbraw/zinc/49/11/87/748491187.db2.gz SYYVGBXUNRDIGR-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372772 748642004 /nfs/dbraw/zinc/64/20/04/748642004.db2.gz WTWADGAVWUCQMS-UHFFFAOYSA-N 2 1 318.425 0.423 20 30 DCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001112857734 761978096 /nfs/dbraw/zinc/97/80/96/761978096.db2.gz XGXYLLYRGPLBGN-INIZCTEOSA-N 2 1 307.438 0.675 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462640 749812223 /nfs/dbraw/zinc/81/22/23/749812223.db2.gz SKDRQXNEYYFIJJ-OIISXLGYSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462640 749812226 /nfs/dbraw/zinc/81/22/26/749812226.db2.gz SKDRQXNEYYFIJJ-OIISXLGYSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462640 749812229 /nfs/dbraw/zinc/81/22/29/749812229.db2.gz SKDRQXNEYYFIJJ-OIISXLGYSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462640 749812232 /nfs/dbraw/zinc/81/22/32/749812232.db2.gz SKDRQXNEYYFIJJ-OIISXLGYSA-N 2 1 321.465 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083524443 750098392 /nfs/dbraw/zinc/09/83/92/750098392.db2.gz UTWKNAJSMYVDPV-KFWWJZLASA-N 2 1 318.421 0.888 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083524443 750098395 /nfs/dbraw/zinc/09/83/95/750098395.db2.gz UTWKNAJSMYVDPV-KFWWJZLASA-N 2 1 318.421 0.888 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001077131293 750217187 /nfs/dbraw/zinc/21/71/87/750217187.db2.gz UTWKNAJSMYVDPV-RBSFLKMASA-N 2 1 318.421 0.888 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001077131293 750217189 /nfs/dbraw/zinc/21/71/89/750217189.db2.gz UTWKNAJSMYVDPV-RBSFLKMASA-N 2 1 318.421 0.888 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462377 762019656 /nfs/dbraw/zinc/01/96/56/762019656.db2.gz QWZDBLYYRKRONF-UHFFFAOYSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)[C@@H]2C)CC1 ZINC001089059140 750781788 /nfs/dbraw/zinc/78/17/88/750781788.db2.gz ATEAYHUMPCMTTM-FMKPAKJESA-N 2 1 307.438 0.291 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310575 751105061 /nfs/dbraw/zinc/10/50/61/751105061.db2.gz SRJOTILKPBDWQV-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310575 751105064 /nfs/dbraw/zinc/10/50/64/751105064.db2.gz SRJOTILKPBDWQV-KLHDSHLOSA-N 2 1 307.438 0.413 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046033370 753437670 /nfs/dbraw/zinc/43/76/70/753437670.db2.gz VUEGPHQPHKZONO-IXDOHACOSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033370 753437675 /nfs/dbraw/zinc/43/76/75/753437675.db2.gz VUEGPHQPHKZONO-IXDOHACOSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033370 753437679 /nfs/dbraw/zinc/43/76/79/753437679.db2.gz VUEGPHQPHKZONO-IXDOHACOSA-N 2 1 320.481 0.731 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058712 753453420 /nfs/dbraw/zinc/45/34/20/753453420.db2.gz RLUYTDYDVUIHAN-QGZVFWFLSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046063685 753457753 /nfs/dbraw/zinc/45/77/53/753457753.db2.gz UUHZBEVDCKEIIE-IRXDYDNUSA-N 2 1 320.481 0.568 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831424 753956572 /nfs/dbraw/zinc/95/65/72/753956572.db2.gz LBFNKASTAREKLT-XHSDSOJGSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831424 753956577 /nfs/dbraw/zinc/95/65/77/753956577.db2.gz LBFNKASTAREKLT-XHSDSOJGSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047431910 754276324 /nfs/dbraw/zinc/27/63/24/754276324.db2.gz KUXYKTXTCSPFJR-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047431910 754276326 /nfs/dbraw/zinc/27/63/26/754276326.db2.gz KUXYKTXTCSPFJR-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001047431910 754276330 /nfs/dbraw/zinc/27/63/30/754276330.db2.gz KUXYKTXTCSPFJR-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001047431910 754276334 /nfs/dbraw/zinc/27/63/34/754276334.db2.gz KUXYKTXTCSPFJR-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498363 754333379 /nfs/dbraw/zinc/33/33/79/754333379.db2.gz RYDMMLYKMNBLBJ-IKGGRYGDSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498363 754333384 /nfs/dbraw/zinc/33/33/84/754333384.db2.gz RYDMMLYKMNBLBJ-IKGGRYGDSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498363 754333389 /nfs/dbraw/zinc/33/33/89/754333389.db2.gz RYDMMLYKMNBLBJ-IKGGRYGDSA-N 2 1 321.465 0.635 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228241 754578919 /nfs/dbraw/zinc/57/89/19/754578919.db2.gz JVQUUESZOJVXIT-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049059128 755096209 /nfs/dbraw/zinc/09/62/09/755096209.db2.gz AUTVECYKWORHCL-OAGGEKHMSA-N 2 1 312.417 0.777 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049059128 755096213 /nfs/dbraw/zinc/09/62/13/755096213.db2.gz AUTVECYKWORHCL-OAGGEKHMSA-N 2 1 312.417 0.777 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392303 755247451 /nfs/dbraw/zinc/24/74/51/755247451.db2.gz XNWLBVBMMKJFCK-BZUAXINKSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049902707 755440344 /nfs/dbraw/zinc/44/03/44/755440344.db2.gz CMFFJQGSVIBHEG-ARFHVFGLSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049902707 755440345 /nfs/dbraw/zinc/44/03/45/755440345.db2.gz CMFFJQGSVIBHEG-ARFHVFGLSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902707 755440348 /nfs/dbraw/zinc/44/03/48/755440348.db2.gz CMFFJQGSVIBHEG-ARFHVFGLSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902707 755440350 /nfs/dbraw/zinc/44/03/50/755440350.db2.gz CMFFJQGSVIBHEG-ARFHVFGLSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353994 755662013 /nfs/dbraw/zinc/66/20/13/755662013.db2.gz HHOQTBYWOHWGTI-GJZGRUSLSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353994 755662014 /nfs/dbraw/zinc/66/20/14/755662014.db2.gz HHOQTBYWOHWGTI-GJZGRUSLSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCC[C@@H](C)O)CC2)CC1 ZINC001113677718 762464026 /nfs/dbraw/zinc/46/40/26/762464026.db2.gz KQEWVVVDJCHIJE-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2C)CC1 ZINC001080998190 756417902 /nfs/dbraw/zinc/41/79/02/756417902.db2.gz VYLHJJMIYBWAEE-BFYDXBDKSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081884594 756836786 /nfs/dbraw/zinc/83/67/86/756836786.db2.gz FLHRGWIVVMGYMD-IXDOHACOSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081884594 756836791 /nfs/dbraw/zinc/83/67/91/756836791.db2.gz FLHRGWIVVMGYMD-IXDOHACOSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081884594 756836796 /nfs/dbraw/zinc/83/67/96/756836796.db2.gz FLHRGWIVVMGYMD-IXDOHACOSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001081899937 756849938 /nfs/dbraw/zinc/84/99/38/756849938.db2.gz QVPLLVNDGYYCIZ-HZPDHXFCSA-N 2 1 312.373 0.787 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001050206350 757486866 /nfs/dbraw/zinc/48/68/66/757486866.db2.gz HPPLVXBDIPBIMD-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001050206350 757486873 /nfs/dbraw/zinc/48/68/73/757486873.db2.gz HPPLVXBDIPBIMD-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206350 757486879 /nfs/dbraw/zinc/48/68/79/757486879.db2.gz HPPLVXBDIPBIMD-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206350 757486887 /nfs/dbraw/zinc/48/68/87/757486887.db2.gz HPPLVXBDIPBIMD-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472768 757743563 /nfs/dbraw/zinc/74/35/63/757743563.db2.gz ZCEWSHYVMVFBNO-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472768 757743575 /nfs/dbraw/zinc/74/35/75/757743575.db2.gz ZCEWSHYVMVFBNO-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090398759 757908119 /nfs/dbraw/zinc/90/81/19/757908119.db2.gz IFYQVWHILMQAIW-LSDHHAIUSA-N 2 1 300.362 0.685 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085098339 758210841 /nfs/dbraw/zinc/21/08/41/758210841.db2.gz LXHULAKNZQCJNX-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085098339 758210854 /nfs/dbraw/zinc/21/08/54/758210854.db2.gz LXHULAKNZQCJNX-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085098339 758210863 /nfs/dbraw/zinc/21/08/63/758210863.db2.gz LXHULAKNZQCJNX-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085098339 758210875 /nfs/dbraw/zinc/21/08/75/758210875.db2.gz LXHULAKNZQCJNX-OWCLPIDISA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279683 758796883 /nfs/dbraw/zinc/79/68/83/758796883.db2.gz XNRRSDQTDPWTLJ-DSZOFWSKSA-N 2 1 317.433 0.500 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085309027 758810389 /nfs/dbraw/zinc/81/03/89/758810389.db2.gz USYPFCHDWFSKAS-BZUAXINKSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085309027 758810400 /nfs/dbraw/zinc/81/04/00/758810400.db2.gz USYPFCHDWFSKAS-BZUAXINKSA-N 2 1 307.438 0.746 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117072 759189672 /nfs/dbraw/zinc/18/96/72/759189672.db2.gz FOMWIBBWVPZLSH-HZPDHXFCSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117072 759189677 /nfs/dbraw/zinc/18/96/77/759189677.db2.gz FOMWIBBWVPZLSH-HZPDHXFCSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117072 759189682 /nfs/dbraw/zinc/18/96/82/759189682.db2.gz FOMWIBBWVPZLSH-HZPDHXFCSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117072 759189687 /nfs/dbraw/zinc/18/96/87/759189687.db2.gz FOMWIBBWVPZLSH-HZPDHXFCSA-N 2 1 306.454 0.343 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731770 759245615 /nfs/dbraw/zinc/24/56/15/759245615.db2.gz KFLHJRXJCUOJRR-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731770 759245621 /nfs/dbraw/zinc/24/56/21/759245621.db2.gz KFLHJRXJCUOJRR-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731770 759245627 /nfs/dbraw/zinc/24/56/27/759245627.db2.gz KFLHJRXJCUOJRR-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@@H](C)OC)CC1 ZINC001085987046 759547604 /nfs/dbraw/zinc/54/76/04/759547604.db2.gz RXSSVKNQIOVKQH-WBVHZDCISA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001086110069 759722507 /nfs/dbraw/zinc/72/25/07/759722507.db2.gz RUDCJXYYRPOVDF-NCOADZHNSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001086110069 759722515 /nfs/dbraw/zinc/72/25/15/759722515.db2.gz RUDCJXYYRPOVDF-NCOADZHNSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108351396 760424465 /nfs/dbraw/zinc/42/44/65/760424465.db2.gz JOBHGPQHWZRQQI-KRWDZBQOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108351396 760424471 /nfs/dbraw/zinc/42/44/71/760424471.db2.gz JOBHGPQHWZRQQI-KRWDZBQOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112545922 761689265 /nfs/dbraw/zinc/68/92/65/761689265.db2.gz KYIJIIFOOAEPMU-WMZOPIPTSA-N 2 1 319.449 0.560 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001099174303 762826315 /nfs/dbraw/zinc/82/63/15/762826315.db2.gz GYSPVWPZFRVCAM-HKUYNNGSSA-N 2 1 313.445 0.936 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099330697 762866407 /nfs/dbraw/zinc/86/64/07/762866407.db2.gz COALONZCLRJUCB-YNEHKIRRSA-N 2 1 317.355 0.940 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129422839 762935255 /nfs/dbraw/zinc/93/52/55/762935255.db2.gz MHWGCEQYCYLMSH-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129422840 762936009 /nfs/dbraw/zinc/93/60/09/762936009.db2.gz MHWGCEQYCYLMSH-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129437344 762943566 /nfs/dbraw/zinc/94/35/66/762943566.db2.gz ZEABCNNIHMMTET-STQMWFEESA-N 2 1 319.409 0.157 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(OC)ns1 ZINC001129770535 763006993 /nfs/dbraw/zinc/00/69/93/763006993.db2.gz HOYIZSBCRJESQP-ZDUSSCGKSA-N 2 1 322.434 0.455 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(OC)n1 ZINC001129775983 763010558 /nfs/dbraw/zinc/01/05/58/763010558.db2.gz YHUDHJAJEMVPHZ-HNNXBMFYSA-N 2 1 316.405 0.394 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(OC)n1 ZINC001129775983 763010563 /nfs/dbraw/zinc/01/05/63/763010563.db2.gz YHUDHJAJEMVPHZ-HNNXBMFYSA-N 2 1 316.405 0.394 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871434 763089213 /nfs/dbraw/zinc/08/92/13/763089213.db2.gz DBHNFRUWGIOFNY-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099874183 763092412 /nfs/dbraw/zinc/09/24/12/763092412.db2.gz HFAGOQRYVDDPMW-LSDHHAIUSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938440 763143039 /nfs/dbraw/zinc/14/30/39/763143039.db2.gz WASNFCGTOLVUEP-HOTGVXAUSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136949 763144166 /nfs/dbraw/zinc/14/41/66/763144166.db2.gz APTBHMCFFQNBEK-CABCVRRESA-N 2 1 320.441 0.536 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130303938 763223139 /nfs/dbraw/zinc/22/31/39/763223139.db2.gz OLWTVWQQTGJXHY-OAHLLOKOSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087009616 768117396 /nfs/dbraw/zinc/11/73/96/768117396.db2.gz POVQGCHRKGXJTO-VNQPRFMTSA-N 2 1 317.437 0.442 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041596 763248433 /nfs/dbraw/zinc/24/84/33/763248433.db2.gz LKMCDCYKBLVCBC-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090489520 763419653 /nfs/dbraw/zinc/41/96/53/763419653.db2.gz NFSFSAIMPDUQRP-LSDHHAIUSA-N 2 1 307.438 0.436 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100319523 763486510 /nfs/dbraw/zinc/48/65/10/763486510.db2.gz QBYLCQYUNJRJKI-JCYILVPMSA-N 2 1 321.465 0.993 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664324 763734369 /nfs/dbraw/zinc/73/43/69/763734369.db2.gz IYRNADAVJNZQSF-BFHYXJOUSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664324 763734378 /nfs/dbraw/zinc/73/43/78/763734378.db2.gz IYRNADAVJNZQSF-BFHYXJOUSA-N 2 1 315.845 0.944 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131697623 763956904 /nfs/dbraw/zinc/95/69/04/763956904.db2.gz OBVLGQLLBVWLLX-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131697623 763956913 /nfs/dbraw/zinc/95/69/13/763956913.db2.gz OBVLGQLLBVWLLX-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131697623 763956919 /nfs/dbraw/zinc/95/69/19/763956919.db2.gz OBVLGQLLBVWLLX-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132377187 764427672 /nfs/dbraw/zinc/42/76/72/764427672.db2.gz URMIXQBHTUWKRD-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132377187 764427674 /nfs/dbraw/zinc/42/76/74/764427674.db2.gz URMIXQBHTUWKRD-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132522862 764504343 /nfs/dbraw/zinc/50/43/43/764504343.db2.gz UKFXULAOIMKMBZ-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132522862 764504351 /nfs/dbraw/zinc/50/43/51/764504351.db2.gz UKFXULAOIMKMBZ-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132522862 764504357 /nfs/dbraw/zinc/50/43/57/764504357.db2.gz UKFXULAOIMKMBZ-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132522862 764504361 /nfs/dbraw/zinc/50/43/61/764504361.db2.gz UKFXULAOIMKMBZ-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132522864 764504679 /nfs/dbraw/zinc/50/46/79/764504679.db2.gz UKFXULAOIMKMBZ-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132522864 764504686 /nfs/dbraw/zinc/50/46/86/764504686.db2.gz UKFXULAOIMKMBZ-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132522864 764504692 /nfs/dbraw/zinc/50/46/92/764504692.db2.gz UKFXULAOIMKMBZ-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132522864 764504700 /nfs/dbraw/zinc/50/47/00/764504700.db2.gz UKFXULAOIMKMBZ-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579571 764712744 /nfs/dbraw/zinc/71/27/44/764712744.db2.gz FFGCOIHXNIMFDY-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600614 764719780 /nfs/dbraw/zinc/71/97/80/764719780.db2.gz MWJGNLNTKFAHTK-HZPDHXFCSA-N 2 1 309.454 0.661 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600614 764719784 /nfs/dbraw/zinc/71/97/84/764719784.db2.gz MWJGNLNTKFAHTK-HZPDHXFCSA-N 2 1 309.454 0.661 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600614 764719788 /nfs/dbraw/zinc/71/97/88/764719788.db2.gz MWJGNLNTKFAHTK-HZPDHXFCSA-N 2 1 309.454 0.661 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133165361 764855557 /nfs/dbraw/zinc/85/55/57/764855557.db2.gz FRXNDALDWAZDMH-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198439 765472704 /nfs/dbraw/zinc/47/27/04/765472704.db2.gz VXISIRQYZOSDNT-VXGBXAGGSA-N 2 1 305.344 0.940 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245206 765660502 /nfs/dbraw/zinc/66/05/02/765660502.db2.gz NMIVUOVNAMECSF-CAOSSQGBSA-N 2 1 307.438 0.577 20 30 DCEDMP O=C(NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1N=CC=CC1=O ZINC001116467133 765873895 /nfs/dbraw/zinc/87/38/95/765873895.db2.gz SKTRNLVPVPIXOL-JJLJGCLUSA-N 2 1 304.394 0.729 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090523434 765983956 /nfs/dbraw/zinc/98/39/56/765983956.db2.gz QNECRLUEHCBCGO-ZIAGYGMSSA-N 2 1 307.394 0.692 20 30 DCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086763125 766093072 /nfs/dbraw/zinc/09/30/72/766093072.db2.gz SVHJURONOOJJQJ-CLEAANHHSA-N 2 1 319.449 0.910 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574251 766328541 /nfs/dbraw/zinc/32/85/41/766328541.db2.gz RDSWOKVJZDJHTC-HUUCEWRRSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574251 766328546 /nfs/dbraw/zinc/32/85/46/766328546.db2.gz RDSWOKVJZDJHTC-HUUCEWRRSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001119392002 766658546 /nfs/dbraw/zinc/65/85/46/766658546.db2.gz SKKLSZQFDNUPHX-JKSUJKDBSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001119392002 766658550 /nfs/dbraw/zinc/65/85/50/766658550.db2.gz SKKLSZQFDNUPHX-JKSUJKDBSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001119392002 766658557 /nfs/dbraw/zinc/65/85/57/766658557.db2.gz SKKLSZQFDNUPHX-JKSUJKDBSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001119392002 766658566 /nfs/dbraw/zinc/65/85/66/766658566.db2.gz SKKLSZQFDNUPHX-JKSUJKDBSA-N 2 1 304.438 0.964 20 30 DCEDMP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001120834665 767248644 /nfs/dbraw/zinc/24/86/44/767248644.db2.gz KYWZJAZAAFBRFO-HVEGKCCWSA-N 2 1 319.449 0.747 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)CC1 ZINC001121997155 767692582 /nfs/dbraw/zinc/69/25/82/767692582.db2.gz AFGOZIWGJJKCKE-GFCCVEGCSA-N 2 1 303.410 0.755 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)c2cc3n(n2)C[C@H](C)[NH2+]C3)CC1 ZINC001121997156 767692631 /nfs/dbraw/zinc/69/26/31/767692631.db2.gz AFGOZIWGJJKCKE-LBPRGKRZSA-N 2 1 303.410 0.755 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911615 768415222 /nfs/dbraw/zinc/41/52/22/768415222.db2.gz VOUQVOJENQOOIX-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911615 768415226 /nfs/dbraw/zinc/41/52/26/768415226.db2.gz VOUQVOJENQOOIX-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911615 768415231 /nfs/dbraw/zinc/41/52/31/768415231.db2.gz VOUQVOJENQOOIX-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855134 768884995 /nfs/dbraw/zinc/88/49/95/768884995.db2.gz VRPHSMMSEQOQDU-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855134 768885010 /nfs/dbraw/zinc/88/50/10/768885010.db2.gz VRPHSMMSEQOQDU-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855134 768885024 /nfs/dbraw/zinc/88/50/24/768885024.db2.gz VRPHSMMSEQOQDU-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149936865 768910399 /nfs/dbraw/zinc/91/03/99/768910399.db2.gz PACOBBOXSCCPTA-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936865 768910405 /nfs/dbraw/zinc/91/04/05/768910405.db2.gz PACOBBOXSCCPTA-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936865 768910412 /nfs/dbraw/zinc/91/04/12/768910412.db2.gz PACOBBOXSCCPTA-HNNXBMFYSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)CCC)C1=O ZINC001171763002 769370748 /nfs/dbraw/zinc/37/07/48/769370748.db2.gz PSMRFTFYCGYSQT-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001095016264 769534712 /nfs/dbraw/zinc/53/47/12/769534712.db2.gz FGMXEWUPVJOSJC-JYJNAYRXSA-N 2 1 305.422 0.311 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033722 770051072 /nfs/dbraw/zinc/05/10/72/770051072.db2.gz KSZVKMUQGQLUCG-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033722 770051084 /nfs/dbraw/zinc/05/10/84/770051084.db2.gz KSZVKMUQGQLUCG-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033722 770051095 /nfs/dbraw/zinc/05/10/95/770051095.db2.gz KSZVKMUQGQLUCG-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033722 770051106 /nfs/dbraw/zinc/05/11/06/770051106.db2.gz KSZVKMUQGQLUCG-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563346 770125713 /nfs/dbraw/zinc/12/57/13/770125713.db2.gz CRRSGJIWKDDMGG-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942370 770971530 /nfs/dbraw/zinc/97/15/30/770971530.db2.gz NNTLXXRRHYYHDX-CQSZACIVSA-N 2 1 306.410 0.668 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942370 770971538 /nfs/dbraw/zinc/97/15/38/770971538.db2.gz NNTLXXRRHYYHDX-CQSZACIVSA-N 2 1 306.410 0.668 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001179304390 770983672 /nfs/dbraw/zinc/98/36/72/770983672.db2.gz ZNCUOZHIECHSNU-CBBWQLFWSA-N 2 1 322.453 0.350 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181895803 771365817 /nfs/dbraw/zinc/36/58/17/771365817.db2.gz GFOYJEIBAOATSA-KCYZZUKISA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181895803 771365819 /nfs/dbraw/zinc/36/58/19/771365819.db2.gz GFOYJEIBAOATSA-KCYZZUKISA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183465141 771652832 /nfs/dbraw/zinc/65/28/32/771652832.db2.gz MYSHTVZSHQGBKZ-HLLBOEOZSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183465141 771652836 /nfs/dbraw/zinc/65/28/36/771652836.db2.gz MYSHTVZSHQGBKZ-HLLBOEOZSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001160197802 772007527 /nfs/dbraw/zinc/00/75/27/772007527.db2.gz HEFVYTGKSXKMQJ-INIZCTEOSA-N 2 1 317.437 0.156 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001160197802 772007532 /nfs/dbraw/zinc/00/75/32/772007532.db2.gz HEFVYTGKSXKMQJ-INIZCTEOSA-N 2 1 317.437 0.156 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001160209341 772008819 /nfs/dbraw/zinc/00/88/19/772008819.db2.gz IOPUCSQLWXABJR-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001160209341 772008823 /nfs/dbraw/zinc/00/88/23/772008823.db2.gz IOPUCSQLWXABJR-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1oc(C)nc1C ZINC001160209158 772009325 /nfs/dbraw/zinc/00/93/25/772009325.db2.gz AUXCZKRDXIYALY-HNNXBMFYSA-N 2 1 318.421 0.985 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1oc(C)nc1C ZINC001160209158 772009332 /nfs/dbraw/zinc/00/93/32/772009332.db2.gz AUXCZKRDXIYALY-HNNXBMFYSA-N 2 1 318.421 0.985 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001186349674 772031541 /nfs/dbraw/zinc/03/15/41/772031541.db2.gz SRBCFMFCSLUNFO-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162871960 772427290 /nfs/dbraw/zinc/42/72/90/772427290.db2.gz BVBICTRZBLHFTE-CKDBGZEDSA-N 2 1 307.438 0.912 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190946344 772696359 /nfs/dbraw/zinc/69/63/59/772696359.db2.gz JFANVBBCCNQYEY-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001190946344 772696360 /nfs/dbraw/zinc/69/63/60/772696360.db2.gz JFANVBBCCNQYEY-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001191030222 772711835 /nfs/dbraw/zinc/71/18/35/772711835.db2.gz RYXUPVCSQIQPAW-HNNXBMFYSA-N 2 1 309.454 0.899 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001191030222 772711837 /nfs/dbraw/zinc/71/18/37/772711837.db2.gz RYXUPVCSQIQPAW-HNNXBMFYSA-N 2 1 309.454 0.899 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001191030222 772711839 /nfs/dbraw/zinc/71/18/39/772711839.db2.gz RYXUPVCSQIQPAW-HNNXBMFYSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165491834 772742924 /nfs/dbraw/zinc/74/29/24/772742924.db2.gz BWWFLPROCJAZKN-UHFFFAOYSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](C)O)CC1 ZINC001205479694 772994936 /nfs/dbraw/zinc/99/49/36/772994936.db2.gz SWVQPEWGIVBCTQ-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](C)O)CC1 ZINC001205479694 772994939 /nfs/dbraw/zinc/99/49/39/772994939.db2.gz SWVQPEWGIVBCTQ-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193447353 773061143 /nfs/dbraw/zinc/06/11/43/773061143.db2.gz OVRZXYVCLNRVAA-RRFJBIMHSA-N 2 1 315.433 0.794 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462105 773066834 /nfs/dbraw/zinc/06/68/34/773066834.db2.gz KSEXFSBMXAVIID-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462105 773066838 /nfs/dbraw/zinc/06/68/38/773066838.db2.gz KSEXFSBMXAVIID-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193462105 773066840 /nfs/dbraw/zinc/06/68/40/773066840.db2.gz KSEXFSBMXAVIID-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193462105 773066844 /nfs/dbraw/zinc/06/68/44/773066844.db2.gz KSEXFSBMXAVIID-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547023 773232516 /nfs/dbraw/zinc/23/25/16/773232516.db2.gz INBXNWNZOJJTPF-BZUAXINKSA-N 2 1 319.453 0.826 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547023 773232520 /nfs/dbraw/zinc/23/25/20/773232520.db2.gz INBXNWNZOJJTPF-BZUAXINKSA-N 2 1 319.453 0.826 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207547147 773232833 /nfs/dbraw/zinc/23/28/33/773232833.db2.gz MOQVQJXVGUXVDJ-XPKDYRNWSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207547147 773232837 /nfs/dbraw/zinc/23/28/37/773232837.db2.gz MOQVQJXVGUXVDJ-XPKDYRNWSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207733925 773287650 /nfs/dbraw/zinc/28/76/50/773287650.db2.gz BBDYSNHQEHFEPO-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207733925 773287659 /nfs/dbraw/zinc/28/76/59/773287659.db2.gz BBDYSNHQEHFEPO-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661017 773459743 /nfs/dbraw/zinc/45/97/43/773459743.db2.gz DNVNITWOZINJIE-RBSFLKMASA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208527867 773486692 /nfs/dbraw/zinc/48/66/92/773486692.db2.gz VNNQQNIYPLKEST-IIAWOOMASA-N 2 1 324.469 0.311 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208527867 773486696 /nfs/dbraw/zinc/48/66/96/773486696.db2.gz VNNQQNIYPLKEST-IIAWOOMASA-N 2 1 324.469 0.311 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962431 773675088 /nfs/dbraw/zinc/67/50/88/773675088.db2.gz GITXSWOCRRMJNA-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962431 773675092 /nfs/dbraw/zinc/67/50/92/773675092.db2.gz GITXSWOCRRMJNA-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP N#Cc1nc(N)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)nc1C#N ZINC001210263024 773691842 /nfs/dbraw/zinc/69/18/42/773691842.db2.gz XXLHMRZNCBGTFZ-UHFFFAOYSA-N 2 1 321.348 0.350 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210538775 773719193 /nfs/dbraw/zinc/71/91/93/773719193.db2.gz MZLFCZZRNHKVNI-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210538775 773719199 /nfs/dbraw/zinc/71/91/99/773719199.db2.gz MZLFCZZRNHKVNI-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210538775 773719206 /nfs/dbraw/zinc/71/92/06/773719206.db2.gz MZLFCZZRNHKVNI-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210538775 773719208 /nfs/dbraw/zinc/71/92/08/773719208.db2.gz MZLFCZZRNHKVNI-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284568 773790179 /nfs/dbraw/zinc/79/01/79/773790179.db2.gz MZOOMSXPVZIZGP-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820004 773813077 /nfs/dbraw/zinc/81/30/77/773813077.db2.gz SLVNZOUIEWCHNA-HZPDHXFCSA-N 2 1 321.465 0.990 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155960 774045689 /nfs/dbraw/zinc/04/56/89/774045689.db2.gz RFWVFHVTEIZKOH-UKRRQHHQSA-N 2 1 304.394 0.278 20 30 DCEDMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC001218202591 774215870 /nfs/dbraw/zinc/21/58/70/774215870.db2.gz MYPJJYNLFJHSOS-VHDGCEQUSA-N 2 1 303.362 0.610 20 30 DCEDMP C=C1CC[NH2+]C[C@@H]1Oc1c(C(=O)OC)nc(C(C)(C)[NH3+])[nH]c1=O ZINC001218204285 774216743 /nfs/dbraw/zinc/21/67/43/774216743.db2.gz PBFKMJRNIZPSEO-VIFPVBQESA-N 2 1 322.365 0.460 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199827347 774218574 /nfs/dbraw/zinc/21/85/74/774218574.db2.gz VFWBQTMMEXUJAN-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658449 774392334 /nfs/dbraw/zinc/39/23/34/774392334.db2.gz NEXVCNKMQLEQIA-CVEARBPZSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201244981 774470669 /nfs/dbraw/zinc/47/06/69/774470669.db2.gz BOEIIBKYBHKRHQ-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220572713 774847991 /nfs/dbraw/zinc/84/79/91/774847991.db2.gz HTURHDBQORBWIG-OWCLPIDISA-N 2 1 309.454 0.537 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773097 775192319 /nfs/dbraw/zinc/19/23/19/775192319.db2.gz XOGXEGLECMZSNP-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773097 775192323 /nfs/dbraw/zinc/19/23/23/775192323.db2.gz XOGXEGLECMZSNP-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789025 775195739 /nfs/dbraw/zinc/19/57/39/775195739.db2.gz CAHCBAMLTNQREC-RRFJBIMHSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789025 775195742 /nfs/dbraw/zinc/19/57/42/775195742.db2.gz CAHCBAMLTNQREC-RRFJBIMHSA-N 2 1 322.453 0.162 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225168321 775652618 /nfs/dbraw/zinc/65/26/18/775652618.db2.gz UAWBHRNKVHESAP-QGZVFWFLSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225428256 775678139 /nfs/dbraw/zinc/67/81/39/775678139.db2.gz ZBKCTWAGNXRTIF-MRXNPFEDSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227817019 776010942 /nfs/dbraw/zinc/01/09/42/776010942.db2.gz IPGKSGBHOXRSSK-MRXNPFEDSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904740 776137336 /nfs/dbraw/zinc/13/73/36/776137336.db2.gz VSEBEUUOSJHQQL-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041368446 777233516 /nfs/dbraw/zinc/23/35/16/777233516.db2.gz MURHBBVDSVAMJG-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041368446 777233523 /nfs/dbraw/zinc/23/35/23/777233523.db2.gz MURHBBVDSVAMJG-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCO)C2)C1 ZINC001041368446 777233531 /nfs/dbraw/zinc/23/35/31/777233531.db2.gz MURHBBVDSVAMJG-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCO)C2)C1 ZINC001041368446 777233539 /nfs/dbraw/zinc/23/35/39/777233539.db2.gz MURHBBVDSVAMJG-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP CNC(=O)C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001278011082 945093930 /nfs/dbraw/zinc/09/39/30/945093930.db2.gz IWWOTAFOCYARPN-UHFFFAOYSA-N 2 1 315.421 0.541 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001317955565 945222726 /nfs/dbraw/zinc/22/27/26/945222726.db2.gz SUUIYTLIMZPSGT-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001266294859 939055691 /nfs/dbraw/zinc/05/56/91/939055691.db2.gz NKOSLSYGGJCIKV-UHFFFAOYSA-N 2 1 324.469 0.019 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N[C@@H](C)CC ZINC001266728804 939222311 /nfs/dbraw/zinc/22/23/11/939222311.db2.gz LVXROFAOXWIHSI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N[C@@H](C)CC ZINC001266728804 939222314 /nfs/dbraw/zinc/22/23/14/939222314.db2.gz LVXROFAOXWIHSI-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266883959 939265102 /nfs/dbraw/zinc/26/51/02/939265102.db2.gz IHJFEHGHAFCVJF-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267372319 939438225 /nfs/dbraw/zinc/43/82/25/939438225.db2.gz LSCYWAVAYKYUEK-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001267695944 939629503 /nfs/dbraw/zinc/62/95/03/939629503.db2.gz MVKBDOXVTRSMQK-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001267695944 939629504 /nfs/dbraw/zinc/62/95/04/939629504.db2.gz MVKBDOXVTRSMQK-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001481472264 939886878 /nfs/dbraw/zinc/88/68/78/939886878.db2.gz JEWRJIQPDVTCNE-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001268121074 939951477 /nfs/dbraw/zinc/95/14/77/939951477.db2.gz YMTNIYVAYGHQLJ-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001268121074 939951479 /nfs/dbraw/zinc/95/14/79/939951479.db2.gz YMTNIYVAYGHQLJ-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001481761035 940125206 /nfs/dbraw/zinc/12/52/06/940125206.db2.gz JKBVMFUSYYBXAL-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001481761035 940125208 /nfs/dbraw/zinc/12/52/08/940125208.db2.gz JKBVMFUSYYBXAL-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001481761035 940125209 /nfs/dbraw/zinc/12/52/09/940125209.db2.gz JKBVMFUSYYBXAL-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001481761035 940125210 /nfs/dbraw/zinc/12/52/10/940125210.db2.gz JKBVMFUSYYBXAL-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268749232 940350581 /nfs/dbraw/zinc/35/05/81/940350581.db2.gz SVFMTKFPNYALEL-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268749232 940350583 /nfs/dbraw/zinc/35/05/83/940350583.db2.gz SVFMTKFPNYALEL-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001270387329 940891548 /nfs/dbraw/zinc/89/15/48/940891548.db2.gz KBKQMUQWWKLAJK-CVEARBPZSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001270387329 940891552 /nfs/dbraw/zinc/89/15/52/940891552.db2.gz KBKQMUQWWKLAJK-CVEARBPZSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001270650338 940953546 /nfs/dbraw/zinc/95/35/46/940953546.db2.gz SPRJNTVDYCPIEF-KRWDZBQOSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482661134 941612705 /nfs/dbraw/zinc/61/27/05/941612705.db2.gz CMWGAYDCACAVBB-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591142 942007174 /nfs/dbraw/zinc/00/71/74/942007174.db2.gz NLNKFZCQRNPMGI-CVEARBPZSA-N 2 1 312.373 0.441 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083669037 942449820 /nfs/dbraw/zinc/44/98/20/942449820.db2.gz QYVFJFCCMIWUTN-OWCLPIDISA-N 2 1 305.422 0.045 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083669037 942449822 /nfs/dbraw/zinc/44/98/22/942449822.db2.gz QYVFJFCCMIWUTN-OWCLPIDISA-N 2 1 305.422 0.045 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483941867 943040167 /nfs/dbraw/zinc/04/01/67/943040167.db2.gz GMNMGRCKGILDTL-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484121988 943157116 /nfs/dbraw/zinc/15/71/16/943157116.db2.gz NGUYOXVEAYDSTB-WMZOPIPTSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001484147050 943163953 /nfs/dbraw/zinc/16/39/53/943163953.db2.gz MEQZOVLQVRWMOV-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001484147050 943163957 /nfs/dbraw/zinc/16/39/57/943163957.db2.gz MEQZOVLQVRWMOV-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484234529 943235204 /nfs/dbraw/zinc/23/52/04/943235204.db2.gz CFTIUXSEXQXIHY-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484234529 943235208 /nfs/dbraw/zinc/23/52/08/943235208.db2.gz CFTIUXSEXQXIHY-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484234529 943235214 /nfs/dbraw/zinc/23/52/14/943235214.db2.gz CFTIUXSEXQXIHY-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001484236465 943238968 /nfs/dbraw/zinc/23/89/68/943238968.db2.gz PNDRJVLDKSQBPJ-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001484236465 943238974 /nfs/dbraw/zinc/23/89/74/943238974.db2.gz PNDRJVLDKSQBPJ-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001484236465 943238984 /nfs/dbraw/zinc/23/89/84/943238984.db2.gz PNDRJVLDKSQBPJ-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484287396 943293570 /nfs/dbraw/zinc/29/35/70/943293570.db2.gz NDRTUQYPUZNTRZ-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001484945584 943633535 /nfs/dbraw/zinc/63/35/35/943633535.db2.gz DCOLDJLGWOWPPB-UHFFFAOYSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001484945584 943633537 /nfs/dbraw/zinc/63/35/37/943633537.db2.gz DCOLDJLGWOWPPB-UHFFFAOYSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001491177013 943806030 /nfs/dbraw/zinc/80/60/30/943806030.db2.gz KTVJSNAZVUKLHQ-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP COCC#CCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586232 944223771 /nfs/dbraw/zinc/22/37/71/944223771.db2.gz FMIMNROOVMSGOQ-OAGGEKHMSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586232 944223779 /nfs/dbraw/zinc/22/37/79/944223779.db2.gz FMIMNROOVMSGOQ-OAGGEKHMSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586232 944223786 /nfs/dbraw/zinc/22/37/86/944223786.db2.gz FMIMNROOVMSGOQ-OAGGEKHMSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586232 944223792 /nfs/dbraw/zinc/22/37/92/944223792.db2.gz FMIMNROOVMSGOQ-OAGGEKHMSA-N 2 1 321.465 0.803 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586232 944223798 /nfs/dbraw/zinc/22/37/98/944223798.db2.gz FMIMNROOVMSGOQ-OAGGEKHMSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001272785987 944225735 /nfs/dbraw/zinc/22/57/35/944225735.db2.gz LXYFIPAPZKTZDK-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001272785987 944225737 /nfs/dbraw/zinc/22/57/37/944225737.db2.gz LXYFIPAPZKTZDK-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCN1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887465 944302280 /nfs/dbraw/zinc/30/22/80/944302280.db2.gz FHBINLDWKCQWOQ-KRWDZBQOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001486005164 944490446 /nfs/dbraw/zinc/49/04/46/944490446.db2.gz RPVOXBCLQJXURS-OLZOCXBDSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001486005164 944490449 /nfs/dbraw/zinc/49/04/49/944490449.db2.gz RPVOXBCLQJXURS-OLZOCXBDSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001486040506 944499025 /nfs/dbraw/zinc/49/90/25/944499025.db2.gz AGHQUAUJEBUGGL-ZDUSSCGKSA-N 2 1 303.834 0.538 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001277142113 944679200 /nfs/dbraw/zinc/67/92/00/944679200.db2.gz VMYPQVASRIAYPW-KGLIPLIRSA-N 2 1 322.453 0.400 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317178597 944838489 /nfs/dbraw/zinc/83/84/89/944838489.db2.gz CEAVEXZJYGBOGQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001317198280 944846915 /nfs/dbraw/zinc/84/69/15/944846915.db2.gz FAXKXRCROQWRQR-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001317198280 944846924 /nfs/dbraw/zinc/84/69/24/944846924.db2.gz FAXKXRCROQWRQR-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246311274 945381193 /nfs/dbraw/zinc/38/11/93/945381193.db2.gz LDEMYWLBATXUAC-KGLIPLIRSA-N 3 1 311.426 0.324 20 30 DCEDMP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001318730589 945435515 /nfs/dbraw/zinc/43/55/15/945435515.db2.gz WIFNEVSXLWZRRF-CRAIPNDOSA-N 2 1 321.465 0.853 20 30 DCEDMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@@H]1CCN[C@H](C#N)C1)CC[NH2+]CC2 ZINC001246611977 945443904 /nfs/dbraw/zinc/44/39/04/945443904.db2.gz VIEWJHBICXYJAV-ZNMIVQPWSA-N 2 1 320.437 0.638 20 30 DCEDMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H]1CCN[C@H](C#N)C1)CC[NH2+]CC2 ZINC001246611977 945443910 /nfs/dbraw/zinc/44/39/10/945443910.db2.gz VIEWJHBICXYJAV-ZNMIVQPWSA-N 2 1 320.437 0.638 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001319981630 945708226 /nfs/dbraw/zinc/70/82/26/945708226.db2.gz ROOQXWARQLCVIN-HUUCEWRRSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001319981630 945708229 /nfs/dbraw/zinc/70/82/29/945708229.db2.gz ROOQXWARQLCVIN-HUUCEWRRSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001319981630 945708232 /nfs/dbraw/zinc/70/82/32/945708232.db2.gz ROOQXWARQLCVIN-HUUCEWRRSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001319981630 945708235 /nfs/dbraw/zinc/70/82/35/945708235.db2.gz ROOQXWARQLCVIN-HUUCEWRRSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001320068493 945731796 /nfs/dbraw/zinc/73/17/96/945731796.db2.gz JKUYVHROJQDLMH-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001320068493 945731800 /nfs/dbraw/zinc/73/18/00/945731800.db2.gz JKUYVHROJQDLMH-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320068493 945731802 /nfs/dbraw/zinc/73/18/02/945731802.db2.gz JKUYVHROJQDLMH-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320068493 945731806 /nfs/dbraw/zinc/73/18/06/945731806.db2.gz JKUYVHROJQDLMH-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C#CCOC[C@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001251835841 945789035 /nfs/dbraw/zinc/78/90/35/945789035.db2.gz PZNMOSVBQRMMPP-QZTJIDSGSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001251835841 945789039 /nfs/dbraw/zinc/78/90/39/945789039.db2.gz PZNMOSVBQRMMPP-QZTJIDSGSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@H](O)C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001251835841 945789046 /nfs/dbraw/zinc/78/90/46/945789046.db2.gz PZNMOSVBQRMMPP-QZTJIDSGSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001251835841 945789052 /nfs/dbraw/zinc/78/90/52/945789052.db2.gz PZNMOSVBQRMMPP-QZTJIDSGSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001273277669 946414468 /nfs/dbraw/zinc/41/44/68/946414468.db2.gz WWFNXVZRNMEZKL-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001278860562 946494684 /nfs/dbraw/zinc/49/46/84/946494684.db2.gz ZUNMCNDLOZDCGM-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001278946082 946641863 /nfs/dbraw/zinc/64/18/63/946641863.db2.gz UISOIYDPVMJWOG-GJZGRUSLSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001279035207 946752919 /nfs/dbraw/zinc/75/29/19/946752919.db2.gz SLWGQXLXMJGDLU-CABCVRRESA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001279035207 946752929 /nfs/dbraw/zinc/75/29/29/946752929.db2.gz SLWGQXLXMJGDLU-CABCVRRESA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001273374574 946906721 /nfs/dbraw/zinc/90/67/21/946906721.db2.gz LRLCLBWRKLYNFP-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860420 947233108 /nfs/dbraw/zinc/23/31/08/947233108.db2.gz RKYBGAGBEZJSOW-QGZVFWFLSA-N 2 1 322.453 0.165 20 30 DCEDMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001261552379 947346665 /nfs/dbraw/zinc/34/66/65/947346665.db2.gz QISRCFUMDWEGES-CHWSQXEVSA-N 2 1 304.398 0.304 20 30 DCEDMP C#CCCN1CCO[C@](C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001108369135 947561687 /nfs/dbraw/zinc/56/16/87/947561687.db2.gz KNTXCMYGZUJHDJ-MSOLQXFVSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001108369135 947561699 /nfs/dbraw/zinc/56/16/99/947561699.db2.gz KNTXCMYGZUJHDJ-MSOLQXFVSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001108369135 947561707 /nfs/dbraw/zinc/56/17/07/947561707.db2.gz KNTXCMYGZUJHDJ-MSOLQXFVSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001108369135 947561714 /nfs/dbraw/zinc/56/17/14/947561714.db2.gz KNTXCMYGZUJHDJ-MSOLQXFVSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001108369135 947561724 /nfs/dbraw/zinc/56/17/24/947561724.db2.gz KNTXCMYGZUJHDJ-MSOLQXFVSA-N 2 1 319.449 0.703 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325099477 947652198 /nfs/dbraw/zinc/65/21/98/947652198.db2.gz XMBUATKSYRIJGZ-SFHVURJKSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCN2CCOCC2)CC1 ZINC001273457681 947749984 /nfs/dbraw/zinc/74/99/84/947749984.db2.gz QTRQQYOPDRLJFT-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001273457681 947750002 /nfs/dbraw/zinc/75/00/02/947750002.db2.gz QTRQQYOPDRLJFT-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001263105573 947810325 /nfs/dbraw/zinc/81/03/25/947810325.db2.gz SGOPFDWPIDFMSP-ZIAGYGMSSA-N 2 1 308.426 0.093 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001325740624 947906952 /nfs/dbraw/zinc/90/69/52/947906952.db2.gz NTJMNSCGIQNRCH-IYBDPMFKSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001325836186 947943556 /nfs/dbraw/zinc/94/35/56/947943556.db2.gz RSEJRXCOOZBTCP-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001325836186 947943560 /nfs/dbraw/zinc/94/35/60/947943560.db2.gz RSEJRXCOOZBTCP-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001325836186 947943571 /nfs/dbraw/zinc/94/35/71/947943571.db2.gz RSEJRXCOOZBTCP-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001325836186 947943578 /nfs/dbraw/zinc/94/35/78/947943578.db2.gz RSEJRXCOOZBTCP-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001325848577 947949366 /nfs/dbraw/zinc/94/93/66/947949366.db2.gz PIOFIKQAAIDNFY-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001325848577 947949373 /nfs/dbraw/zinc/94/93/73/947949373.db2.gz PIOFIKQAAIDNFY-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001273546337 947953044 /nfs/dbraw/zinc/95/30/44/947953044.db2.gz MBITYOJYFZDGJG-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)O2 ZINC001327365415 948479481 /nfs/dbraw/zinc/47/94/81/948479481.db2.gz SNDLZGZNZMGIAK-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)O2 ZINC001327365415 948479484 /nfs/dbraw/zinc/47/94/84/948479484.db2.gz SNDLZGZNZMGIAK-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001327607557 948570916 /nfs/dbraw/zinc/57/09/16/948570916.db2.gz ORWYTSSJLSPAQD-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001273863724 948640224 /nfs/dbraw/zinc/64/02/24/948640224.db2.gz MYJSMRHHXNWBEF-PBHICJAKSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001263872876 948792435 /nfs/dbraw/zinc/79/24/35/948792435.db2.gz ZNPSBVWVCXFVTQ-JYJNAYRXSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264077985 948866788 /nfs/dbraw/zinc/86/67/88/948866788.db2.gz AKHDGAPPDIUZFU-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001328529114 948941937 /nfs/dbraw/zinc/94/19/37/948941937.db2.gz FZKWFTQCRLANSU-MRXNPFEDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265386539 949649825 /nfs/dbraw/zinc/64/98/25/949649825.db2.gz IEHNSWFTRSTVDG-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265386539 949649832 /nfs/dbraw/zinc/64/98/32/949649832.db2.gz IEHNSWFTRSTVDG-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265386539 949649838 /nfs/dbraw/zinc/64/98/38/949649838.db2.gz IEHNSWFTRSTVDG-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265386539 949649846 /nfs/dbraw/zinc/64/98/46/949649846.db2.gz IEHNSWFTRSTVDG-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265509162 949736763 /nfs/dbraw/zinc/73/67/63/949736763.db2.gz UUSJJAXAWSGRLJ-IHRRRGAJSA-N 2 1 310.442 0.254 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+]1CCOCC1 ZINC001266238427 950507432 /nfs/dbraw/zinc/50/74/32/950507432.db2.gz SDIKANHLMWEYIR-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+]1CCOCC1 ZINC001266238427 950507438 /nfs/dbraw/zinc/50/74/38/950507438.db2.gz SDIKANHLMWEYIR-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001490775306 951097076 /nfs/dbraw/zinc/09/70/76/951097076.db2.gz ARYNDZYMUOJLFY-QGZVFWFLSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001331786308 951318730 /nfs/dbraw/zinc/31/87/30/951318730.db2.gz BNUWKGPYIAYHPS-CZUORRHYSA-N 2 1 313.417 0.289 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001332208370 951522178 /nfs/dbraw/zinc/52/21/78/951522178.db2.gz VQYQJVDDOUDZBF-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001332208370 951522183 /nfs/dbraw/zinc/52/21/83/951522183.db2.gz VQYQJVDDOUDZBF-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001332208370 951522190 /nfs/dbraw/zinc/52/21/90/951522190.db2.gz VQYQJVDDOUDZBF-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001332208370 951522198 /nfs/dbraw/zinc/52/21/98/951522198.db2.gz VQYQJVDDOUDZBF-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001332437237 951644760 /nfs/dbraw/zinc/64/47/60/951644760.db2.gz LKPIFNQLMWRGFB-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001274887921 951868269 /nfs/dbraw/zinc/86/82/69/951868269.db2.gz FARNXHXUONKHSO-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001276116140 952920844 /nfs/dbraw/zinc/92/08/44/952920844.db2.gz IGCPGKQBWGQGJV-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001276116140 952920846 /nfs/dbraw/zinc/92/08/46/952920846.db2.gz IGCPGKQBWGQGJV-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343474300 953348763 /nfs/dbraw/zinc/34/87/63/953348763.db2.gz UVAFAOIYIMDVIV-KKUMJFAQSA-N 2 1 308.426 0.455 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001281964027 953435111 /nfs/dbraw/zinc/43/51/11/953435111.db2.gz BKUWRHCDNTXUSW-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCCC1 ZINC001282627714 953637281 /nfs/dbraw/zinc/63/72/81/953637281.db2.gz VCRMQWRDQNFCCI-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001282714622 953656397 /nfs/dbraw/zinc/65/63/97/953656397.db2.gz JXYINZWGXWVLSU-RDJZCZTQSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001282714622 953656403 /nfs/dbraw/zinc/65/64/03/953656403.db2.gz JXYINZWGXWVLSU-RDJZCZTQSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[C@@H](CCOC)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001348110616 954203199 /nfs/dbraw/zinc/20/31/99/954203199.db2.gz LUMHLAXOTNEJTF-INIZCTEOSA-N 2 1 317.437 0.746 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001284130920 954870835 /nfs/dbraw/zinc/87/08/35/954870835.db2.gz XZDVHYVUDSORFK-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001284130920 954870841 /nfs/dbraw/zinc/87/08/41/954870841.db2.gz XZDVHYVUDSORFK-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001284443598 955099443 /nfs/dbraw/zinc/09/94/43/955099443.db2.gz DHGMHVTVLHESKY-HOCLYGCPSA-N 2 1 318.421 0.186 20 30 DCEDMP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001284516795 955150976 /nfs/dbraw/zinc/15/09/76/955150976.db2.gz OPNYTPPLHIOFDD-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001480109732 955486533 /nfs/dbraw/zinc/48/65/33/955486533.db2.gz NLCGILVAVZIKGB-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[C@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001312994456 960290929 /nfs/dbraw/zinc/29/09/29/960290929.db2.gz KLVJEESLIRBOEK-LSDHHAIUSA-N 2 1 312.458 0.332 20 30 DCEDMP CC#CC[C@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001312994456 960290939 /nfs/dbraw/zinc/29/09/39/960290939.db2.gz KLVJEESLIRBOEK-LSDHHAIUSA-N 2 1 312.458 0.332 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001316750453 960310452 /nfs/dbraw/zinc/31/04/52/960310452.db2.gz RXEYDNQTJHTCGO-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001316750453 960310463 /nfs/dbraw/zinc/31/04/63/960310463.db2.gz RXEYDNQTJHTCGO-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001316750453 960310471 /nfs/dbraw/zinc/31/04/71/960310471.db2.gz RXEYDNQTJHTCGO-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)[C@@H]1C ZINC001316797889 960378531 /nfs/dbraw/zinc/37/85/31/960378531.db2.gz SJONVAYEIJWVHJ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#CCOC)[C@@H]1C ZINC001316797889 960378539 /nfs/dbraw/zinc/37/85/39/960378539.db2.gz SJONVAYEIJWVHJ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)[C@@H]1C ZINC001316797889 960378547 /nfs/dbraw/zinc/37/85/47/960378547.db2.gz SJONVAYEIJWVHJ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC#CCOC)CC[N@H+]1C ZINC001316824735 960397832 /nfs/dbraw/zinc/39/78/32/960397832.db2.gz XPLRDZWDANCSLX-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)CC#CCOC)CC[NH+]1C ZINC001316824735 960397838 /nfs/dbraw/zinc/39/78/38/960397838.db2.gz XPLRDZWDANCSLX-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)CC#CCOC)CC[NH+]1C ZINC001316824735 960397843 /nfs/dbraw/zinc/39/78/43/960397843.db2.gz XPLRDZWDANCSLX-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001393574858 993096476 /nfs/dbraw/zinc/09/64/76/993096476.db2.gz KCNFCFPQYSJQFS-CYBMUJFWSA-N 2 1 312.801 0.761 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001403893123 1002692581 /nfs/dbraw/zinc/69/25/81/1002692581.db2.gz FMUGVUVXZDKLBF-CQSZACIVSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001403893123 1002692587 /nfs/dbraw/zinc/69/25/87/1002692587.db2.gz FMUGVUVXZDKLBF-CQSZACIVSA-N 2 1 317.861 0.832 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001479653008 1017631108 /nfs/dbraw/zinc/63/11/08/1017631108.db2.gz ZLMVFGKBQQWFFG-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001479653008 1017631116 /nfs/dbraw/zinc/63/11/16/1017631116.db2.gz ZLMVFGKBQQWFFG-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001479653008 1017631126 /nfs/dbraw/zinc/63/11/26/1017631126.db2.gz ZLMVFGKBQQWFFG-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC#CCOC)CC2 ZINC001479987283 1018093397 /nfs/dbraw/zinc/09/33/97/1018093397.db2.gz YBYFDHUMBNWLEK-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001480020464 1018132684 /nfs/dbraw/zinc/13/26/84/1018132684.db2.gz SKSSKJACOFIMRZ-DLBZAZTESA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCOCC1 ZINC001497829365 1018451850 /nfs/dbraw/zinc/45/18/50/1018451850.db2.gz BYFMAXKTMSDVIR-WBVHZDCISA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCOCC1 ZINC001497829365 1018451855 /nfs/dbraw/zinc/45/18/55/1018451855.db2.gz BYFMAXKTMSDVIR-WBVHZDCISA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500550941 1018491498 /nfs/dbraw/zinc/49/14/98/1018491498.db2.gz SFYUOQZRGKZNEC-WMZOPIPTSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500550941 1018491505 /nfs/dbraw/zinc/49/15/05/1018491505.db2.gz SFYUOQZRGKZNEC-WMZOPIPTSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500550941 1018491509 /nfs/dbraw/zinc/49/15/09/1018491509.db2.gz SFYUOQZRGKZNEC-WMZOPIPTSA-N 2 1 321.465 0.806 20 30 DCEDMP C[C@@H](CNCc1ccccc1C#N)NC(=O)[C@H]1CN(C)CCO1 ZINC001498025444 1018591009 /nfs/dbraw/zinc/59/10/09/1018591009.db2.gz GYTGAZDXWBIRRT-XJKSGUPXSA-N 2 1 316.405 0.483 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCOC1 ZINC001498055148 1018617497 /nfs/dbraw/zinc/61/74/97/1018617497.db2.gz KTSDBZHAQPYTDY-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCOC1 ZINC001498055148 1018617500 /nfs/dbraw/zinc/61/75/00/1018617500.db2.gz KTSDBZHAQPYTDY-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498457833 1019138687 /nfs/dbraw/zinc/13/86/87/1019138687.db2.gz OLWCKROAMMYXFS-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498457833 1019138694 /nfs/dbraw/zinc/13/86/94/1019138694.db2.gz OLWCKROAMMYXFS-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001493224505 1019221889 /nfs/dbraw/zinc/22/18/89/1019221889.db2.gz YQDYOHNBTXKDPP-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CC ZINC001498897342 1019509350 /nfs/dbraw/zinc/50/93/50/1019509350.db2.gz CFPSUYLYRVJHKJ-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001502080987 1019692987 /nfs/dbraw/zinc/69/29/87/1019692987.db2.gz IODNEFIAXVSJTE-HNNXBMFYSA-N 2 1 311.426 0.102 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCOCC)C1 ZINC001663593266 1174330134 /nfs/dbraw/zinc/33/01/34/1174330134.db2.gz RKAZKPDYQLXPJU-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCOCC)C1 ZINC001663593266 1174330142 /nfs/dbraw/zinc/33/01/42/1174330142.db2.gz RKAZKPDYQLXPJU-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCOCC)C1 ZINC001663593266 1174330146 /nfs/dbraw/zinc/33/01/46/1174330146.db2.gz RKAZKPDYQLXPJU-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCOCC)C1 ZINC001663593266 1174330153 /nfs/dbraw/zinc/33/01/53/1174330153.db2.gz RKAZKPDYQLXPJU-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CN(C)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264066132 529778873 /nfs/dbraw/zinc/77/88/73/529778873.db2.gz FAHXUBDIZCSWMS-UHFFFAOYSA-N 2 1 319.453 0.879 20 30 DCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])Nc1ccccn1 ZINC000264291166 238194419 /nfs/dbraw/zinc/19/44/19/238194419.db2.gz PWRYKKBDILTWBE-ZDUSSCGKSA-N 2 1 318.425 0.751 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000491726037 533148138 /nfs/dbraw/zinc/14/81/38/533148138.db2.gz IMYGRHLKEFAOPT-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000057137490 395939413 /nfs/dbraw/zinc/93/94/13/395939413.db2.gz FBVHLWNOYVDEFF-QGZVFWFLSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000355130486 415851140 /nfs/dbraw/zinc/85/11/40/415851140.db2.gz JSUSFQRXNATVDJ-AWEZNQCLSA-N 2 1 320.437 0.106 20 30 DCEDMP COc1ncccc1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000290621986 415820765 /nfs/dbraw/zinc/82/07/65/415820765.db2.gz KNCNTRRYKZEAOG-UHFFFAOYSA-N 2 1 321.425 0.259 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000337177995 415922592 /nfs/dbraw/zinc/92/25/92/415922592.db2.gz KJAOFQZNAQSQAJ-JKSUJKDBSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000337177992 415922784 /nfs/dbraw/zinc/92/27/84/415922784.db2.gz KJAOFQZNAQSQAJ-CVEARBPZSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CCN1CC[C@@H](N(C)CC[N@@H+](C)C2CCN(C)CC2)C1=O ZINC000337190542 415924406 /nfs/dbraw/zinc/92/44/06/415924406.db2.gz SPENTSMZSOPQJJ-MRXNPFEDSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000491299538 416593587 /nfs/dbraw/zinc/59/35/87/416593587.db2.gz ZVBADSUNMNJKRH-CABCVRRESA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000491299538 416593592 /nfs/dbraw/zinc/59/35/92/416593592.db2.gz ZVBADSUNMNJKRH-CABCVRRESA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000491299538 416593595 /nfs/dbraw/zinc/59/35/95/416593595.db2.gz ZVBADSUNMNJKRH-CABCVRRESA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000491647020 416609703 /nfs/dbraw/zinc/60/97/03/416609703.db2.gz VXWDXZBADZTYBD-UHFFFAOYSA-N 2 1 316.405 0.464 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000491773455 416627739 /nfs/dbraw/zinc/62/77/39/416627739.db2.gz BDSZSISCAIRJFA-INIZCTEOSA-N 2 1 320.481 0.616 20 30 DCEDMP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1CCOC ZINC000565037173 416914152 /nfs/dbraw/zinc/91/41/52/416914152.db2.gz GHZGBHRSJPMTHN-CABCVRRESA-N 2 1 310.442 0.967 20 30 DCEDMP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1CCOC ZINC000565037173 416914163 /nfs/dbraw/zinc/91/41/63/416914163.db2.gz GHZGBHRSJPMTHN-CABCVRRESA-N 2 1 310.442 0.967 20 30 DCEDMP CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571295232 417442687 /nfs/dbraw/zinc/44/26/87/417442687.db2.gz SAIOCCXPIBOGPN-ZDUSSCGKSA-N 2 1 304.398 0.540 20 30 DCEDMP C=CC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]1 ZINC000662705824 417860603 /nfs/dbraw/zinc/86/06/03/417860603.db2.gz RGGOZRRKYYGTIG-PBHICJAKSA-N 2 1 322.453 0.388 20 30 DCEDMP C=CC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]1 ZINC000662705826 417861453 /nfs/dbraw/zinc/86/14/53/417861453.db2.gz RGGOZRRKYYGTIG-WMLDXEAASA-N 2 1 322.453 0.388 20 30 DCEDMP C=CC[C@]1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCC[NH2+]1 ZINC000662717556 417867987 /nfs/dbraw/zinc/86/79/87/417867987.db2.gz PCIWWGPSQZYWSV-ZMSDIMECSA-N 2 1 307.438 0.742 20 30 DCEDMP C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000652370582 417894363 /nfs/dbraw/zinc/89/43/63/417894363.db2.gz FLLIQJXEUFVOEN-IMJJTQAJSA-N 2 1 322.453 0.798 20 30 DCEDMP C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000652370582 417894368 /nfs/dbraw/zinc/89/43/68/417894368.db2.gz FLLIQJXEUFVOEN-IMJJTQAJSA-N 2 1 322.453 0.798 20 30 DCEDMP C(#CC[N@H+]1CC[C@@H]2COC[C@@H]2C1)C[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000662037509 418376931 /nfs/dbraw/zinc/37/69/31/418376931.db2.gz UGKWLIMLUIPMJO-FZDBZEDMSA-N 2 1 304.434 0.926 20 30 DCEDMP C(#CC[N@@H+]1CC[C@H]2COC[C@H]2C1)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037509 418376933 /nfs/dbraw/zinc/37/69/33/418376933.db2.gz UGKWLIMLUIPMJO-FZDBZEDMSA-N 2 1 304.434 0.926 20 30 DCEDMP C(#CC[N@H+]1CC[C@H]2COC[C@H]2C1)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037509 418376935 /nfs/dbraw/zinc/37/69/35/418376935.db2.gz UGKWLIMLUIPMJO-FZDBZEDMSA-N 2 1 304.434 0.926 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001567767376 1160473746 /nfs/dbraw/zinc/47/37/46/1160473746.db2.gz SVVOPLHNCRLOIV-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001672043956 1175070675 /nfs/dbraw/zinc/07/06/75/1175070675.db2.gz DSHCJIRJXXJWNJ-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209234 661103663 /nfs/dbraw/zinc/10/36/63/661103663.db2.gz FQLSJMFIVBWQBB-HZPDHXFCSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCO)CC1 ZINC000969156555 657513198 /nfs/dbraw/zinc/51/31/98/657513198.db2.gz WPMREFVRTTYMOH-QGZVFWFLSA-N 2 1 321.465 0.685 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023115390 657526645 /nfs/dbraw/zinc/52/66/45/657526645.db2.gz JRJDYGNHOZTKJO-XQQFMLRXSA-N 2 1 301.818 0.696 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023115390 657526648 /nfs/dbraw/zinc/52/66/48/657526648.db2.gz JRJDYGNHOZTKJO-XQQFMLRXSA-N 2 1 301.818 0.696 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535395 657649789 /nfs/dbraw/zinc/64/97/89/657649789.db2.gz UWINOAHJVYIJOD-SFHVURJKSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535395 657649794 /nfs/dbraw/zinc/64/97/94/657649794.db2.gz UWINOAHJVYIJOD-SFHVURJKSA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022277127 657666550 /nfs/dbraw/zinc/66/65/50/657666550.db2.gz WIBVQVLCSKAOEY-FVCCEPFGSA-N 2 1 301.818 0.695 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022277127 657666553 /nfs/dbraw/zinc/66/65/53/657666553.db2.gz WIBVQVLCSKAOEY-FVCCEPFGSA-N 2 1 301.818 0.695 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001023448910 657874673 /nfs/dbraw/zinc/87/46/73/657874673.db2.gz BEIZIOPLGNONCS-GJZGRUSLSA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969492 658107048 /nfs/dbraw/zinc/10/70/48/658107048.db2.gz NWLIPYCFQFYHNG-GYMHETDLSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971969492 658107053 /nfs/dbraw/zinc/10/70/53/658107053.db2.gz NWLIPYCFQFYHNG-GYMHETDLSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971969492 658107059 /nfs/dbraw/zinc/10/70/59/658107059.db2.gz NWLIPYCFQFYHNG-GYMHETDLSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972637799 658138635 /nfs/dbraw/zinc/13/86/35/658138635.db2.gz DZOICUMYIUUUAC-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972637799 658138636 /nfs/dbraw/zinc/13/86/36/658138636.db2.gz DZOICUMYIUUUAC-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972637799 658138638 /nfs/dbraw/zinc/13/86/38/658138638.db2.gz DZOICUMYIUUUAC-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972637799 658138640 /nfs/dbraw/zinc/13/86/40/658138640.db2.gz DZOICUMYIUUUAC-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCN1CCOC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000949472448 658291979 /nfs/dbraw/zinc/29/19/79/658291979.db2.gz FYFJILFAHRSQES-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000972295199 658533870 /nfs/dbraw/zinc/53/38/70/658533870.db2.gz ROLJHNMRZNUSQC-WBVHZDCISA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccon2)C1 ZINC001026893629 659626153 /nfs/dbraw/zinc/62/61/53/659626153.db2.gz MBXKRHJGFJGDJN-ZBFHGGJFSA-N 2 1 316.405 0.710 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccon2)C1 ZINC001026893629 659626157 /nfs/dbraw/zinc/62/61/57/659626157.db2.gz MBXKRHJGFJGDJN-ZBFHGGJFSA-N 2 1 316.405 0.710 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849381 659694200 /nfs/dbraw/zinc/69/42/00/659694200.db2.gz GSMCMKYEHCNXEB-NWPKHEMWSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849381 659694203 /nfs/dbraw/zinc/69/42/03/659694203.db2.gz GSMCMKYEHCNXEB-NWPKHEMWSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849381 659694206 /nfs/dbraw/zinc/69/42/06/659694206.db2.gz GSMCMKYEHCNXEB-NWPKHEMWSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](C)O)CC1 ZINC001028333350 661462632 /nfs/dbraw/zinc/46/26/32/661462632.db2.gz IDMHBQLEYZVASH-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261750740 661616185 /nfs/dbraw/zinc/61/61/85/661616185.db2.gz NJWWPYGWIRGTRH-CVEARBPZSA-N 2 1 324.469 0.785 20 30 DCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699390 661766500 /nfs/dbraw/zinc/76/65/00/661766500.db2.gz XTHJCCFCBMQZGP-HCEZTOJASA-N 2 1 305.422 0.474 20 30 DCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028699390 661766503 /nfs/dbraw/zinc/76/65/03/661766503.db2.gz XTHJCCFCBMQZGP-HCEZTOJASA-N 2 1 305.422 0.474 20 30 DCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028699390 661766505 /nfs/dbraw/zinc/76/65/05/661766505.db2.gz XTHJCCFCBMQZGP-HCEZTOJASA-N 2 1 305.422 0.474 20 30 DCEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCSC(C)(C)C1 ZINC000261963941 661933994 /nfs/dbraw/zinc/93/39/94/661933994.db2.gz PPTSLWFIYIIVKE-ZDUSSCGKSA-N 2 1 313.515 0.635 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000928653716 662395596 /nfs/dbraw/zinc/39/55/96/662395596.db2.gz YAWVWYOLLDOKKA-CQSZACIVSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000985434550 662444120 /nfs/dbraw/zinc/44/41/20/662444120.db2.gz BOQXYSHVQXTDDU-UHFFFAOYSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001030019231 662845681 /nfs/dbraw/zinc/84/56/81/662845681.db2.gz ZUXAHZOFFKIEDL-ULQDDVLXSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001030019231 662845682 /nfs/dbraw/zinc/84/56/82/662845682.db2.gz ZUXAHZOFFKIEDL-ULQDDVLXSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941230254 665950773 /nfs/dbraw/zinc/95/07/73/665950773.db2.gz GWYKIMORFINXAP-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941230254 665950775 /nfs/dbraw/zinc/95/07/75/665950775.db2.gz GWYKIMORFINXAP-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230254 665950776 /nfs/dbraw/zinc/95/07/76/665950776.db2.gz GWYKIMORFINXAP-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230254 665950778 /nfs/dbraw/zinc/95/07/78/665950778.db2.gz GWYKIMORFINXAP-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903490673 663457947 /nfs/dbraw/zinc/45/79/47/663457947.db2.gz COEICCKRLWNCRM-VBQJREDUSA-N 2 1 321.421 0.399 20 30 DCEDMP C=CCN1CC[C@@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1=O ZINC000903506528 663458027 /nfs/dbraw/zinc/45/80/27/663458027.db2.gz AJTKOJBBUCLMBJ-IXDOHACOSA-N 2 1 318.465 0.674 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H](C)COC)CC1 ZINC001032800577 665968095 /nfs/dbraw/zinc/96/80/95/665968095.db2.gz OFRKUFUUPNRIGC-XIRDDKMYSA-N 2 1 319.449 0.652 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404856 665991128 /nfs/dbraw/zinc/99/11/28/665991128.db2.gz QXANEJKJJIFSNK-QGZVFWFLSA-N 2 1 320.481 0.874 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404856 665991130 /nfs/dbraw/zinc/99/11/30/665991130.db2.gz QXANEJKJJIFSNK-QGZVFWFLSA-N 2 1 320.481 0.874 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941410240 665991950 /nfs/dbraw/zinc/99/19/50/665991950.db2.gz DDFQIOBGAXICIN-QGZVFWFLSA-N 2 1 318.465 0.343 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000919636710 665225041 /nfs/dbraw/zinc/22/50/41/665225041.db2.gz YLJAPPLDDOEKLX-OAHLLOKOSA-N 2 1 308.426 0.104 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530259 665312900 /nfs/dbraw/zinc/31/29/00/665312900.db2.gz IZDMGSYFFHWNGE-BFKWJSRZSA-N 2 1 317.433 0.711 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032530259 665312904 /nfs/dbraw/zinc/31/29/04/665312904.db2.gz IZDMGSYFFHWNGE-BFKWJSRZSA-N 2 1 317.433 0.711 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032530259 665312907 /nfs/dbraw/zinc/31/29/07/665312907.db2.gz IZDMGSYFFHWNGE-BFKWJSRZSA-N 2 1 317.433 0.711 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001032587770 665380705 /nfs/dbraw/zinc/38/07/05/665380705.db2.gz TUVWDTXAHUCFPC-HRCADAONSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001032587770 665380707 /nfs/dbraw/zinc/38/07/07/665380707.db2.gz TUVWDTXAHUCFPC-HRCADAONSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001032587770 665380709 /nfs/dbraw/zinc/38/07/09/665380709.db2.gz TUVWDTXAHUCFPC-HRCADAONSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001032587770 665380710 /nfs/dbraw/zinc/38/07/10/665380710.db2.gz TUVWDTXAHUCFPC-HRCADAONSA-N 2 1 307.438 0.957 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000941436897 665998173 /nfs/dbraw/zinc/99/81/73/665998173.db2.gz KOARJWXUCPAXEC-UHFFFAOYSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941567355 666020498 /nfs/dbraw/zinc/02/04/98/666020498.db2.gz RROZPRJAAUWHQR-MRXNPFEDSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941567355 666020500 /nfs/dbraw/zinc/02/05/00/666020500.db2.gz RROZPRJAAUWHQR-MRXNPFEDSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](C[C@@H](C)O)CC2)CC1 ZINC001001471972 666056335 /nfs/dbraw/zinc/05/63/35/666056335.db2.gz PNHWOHFUZWQIMI-OAHLLOKOSA-N 2 1 319.449 0.461 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)COC)CC1 ZINC001003056884 666267257 /nfs/dbraw/zinc/26/72/57/666267257.db2.gz VNXVCZMMNBXEEM-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)COC)CC1 ZINC001003056884 666267259 /nfs/dbraw/zinc/26/72/59/666267259.db2.gz VNXVCZMMNBXEEM-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003334524 666296367 /nfs/dbraw/zinc/29/63/67/666296367.db2.gz WONIIQJMBTWNQV-GULBITTBSA-N 2 1 303.406 0.063 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083968 666497347 /nfs/dbraw/zinc/49/73/47/666497347.db2.gz CYXTUTCBXXLDCM-CQSZACIVSA-N 2 1 305.426 0.777 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490428 666731010 /nfs/dbraw/zinc/73/10/10/666731010.db2.gz SDJVRBIBHARDHB-HNNXBMFYSA-N 2 1 305.426 0.777 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996068463 666736670 /nfs/dbraw/zinc/73/66/70/666736670.db2.gz GVVGVDIKHSXJCE-QRHJNKNDSA-N 2 1 319.449 0.862 20 30 DCEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034534193 667061140 /nfs/dbraw/zinc/06/11/40/667061140.db2.gz JIIFMMMVOUPQFE-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034534193 667061143 /nfs/dbraw/zinc/06/11/43/667061143.db2.gz JIIFMMMVOUPQFE-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034534193 667061147 /nfs/dbraw/zinc/06/11/47/667061147.db2.gz JIIFMMMVOUPQFE-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034534193 667061150 /nfs/dbraw/zinc/06/11/50/667061150.db2.gz JIIFMMMVOUPQFE-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035197491 667266670 /nfs/dbraw/zinc/26/66/70/667266670.db2.gz OSTIBJRIXGVZBB-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035197491 667266672 /nfs/dbraw/zinc/26/66/72/667266672.db2.gz OSTIBJRIXGVZBB-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035197491 667266675 /nfs/dbraw/zinc/26/66/75/667266675.db2.gz OSTIBJRIXGVZBB-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035197491 667266678 /nfs/dbraw/zinc/26/66/78/667266678.db2.gz OSTIBJRIXGVZBB-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035371409 667309305 /nfs/dbraw/zinc/30/93/05/667309305.db2.gz SRTHTFYHZNCNGC-HZPDHXFCSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035371409 667309308 /nfs/dbraw/zinc/30/93/08/667309308.db2.gz SRTHTFYHZNCNGC-HZPDHXFCSA-N 2 1 307.438 0.721 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997641388 667352981 /nfs/dbraw/zinc/35/29/81/667352981.db2.gz YQOHWJYOSIUFRL-IJEWVQPXSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997641388 667352984 /nfs/dbraw/zinc/35/29/84/667352984.db2.gz YQOHWJYOSIUFRL-IJEWVQPXSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](C)CCCOC)C1 ZINC000884172914 667489644 /nfs/dbraw/zinc/48/96/44/667489644.db2.gz HASIOEXFEMSISV-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](C)CCCOC)C1 ZINC000884172914 667489645 /nfs/dbraw/zinc/48/96/45/667489645.db2.gz HASIOEXFEMSISV-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)CCCOC)C1 ZINC000884172914 667489646 /nfs/dbraw/zinc/48/96/46/667489646.db2.gz HASIOEXFEMSISV-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)CCCOC)C1 ZINC000884172914 667489648 /nfs/dbraw/zinc/48/96/48/667489648.db2.gz HASIOEXFEMSISV-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000884195689 667495001 /nfs/dbraw/zinc/49/50/01/667495001.db2.gz WGZPQVAXNMHVGV-WCCAFZKYSA-N 2 1 302.422 0.869 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000884195686 667495038 /nfs/dbraw/zinc/49/50/38/667495038.db2.gz WGZPQVAXNMHVGV-CLPSQLOGSA-N 2 1 302.422 0.869 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884249547 667508866 /nfs/dbraw/zinc/50/88/66/667508866.db2.gz NKTVVRXQHUFISC-ZHAHWJHGSA-N 2 1 312.295 0.933 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946899551 667530621 /nfs/dbraw/zinc/53/06/21/667530621.db2.gz JKCULVVOUWABEX-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946899551 667530624 /nfs/dbraw/zinc/53/06/24/667530624.db2.gz JKCULVVOUWABEX-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946899551 667530628 /nfs/dbraw/zinc/53/06/28/667530628.db2.gz JKCULVVOUWABEX-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946899551 667530629 /nfs/dbraw/zinc/53/06/29/667530629.db2.gz JKCULVVOUWABEX-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[C@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872215176 667878062 /nfs/dbraw/zinc/87/80/62/667878062.db2.gz RUTCSVJCHRAPEG-ZWKOTPCHSA-N 2 1 302.418 0.987 20 30 DCEDMP C#CCC[C@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215176 667878065 /nfs/dbraw/zinc/87/80/65/667878065.db2.gz RUTCSVJCHRAPEG-ZWKOTPCHSA-N 2 1 302.418 0.987 20 30 DCEDMP C#CCOCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000755832034 668067667 /nfs/dbraw/zinc/06/76/67/668067667.db2.gz KUSQRSHMTNUSCM-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926489828 668409807 /nfs/dbraw/zinc/40/98/07/668409807.db2.gz KDPAVKHQZAVUHW-CQSZACIVSA-N 2 1 315.483 0.591 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926489828 668409809 /nfs/dbraw/zinc/40/98/09/668409809.db2.gz KDPAVKHQZAVUHW-CQSZACIVSA-N 2 1 315.483 0.591 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000876757730 668502961 /nfs/dbraw/zinc/50/29/61/668502961.db2.gz FQHQUMOFICCAHR-LBPRGKRZSA-N 2 1 316.833 0.125 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000781090412 669029575 /nfs/dbraw/zinc/02/95/75/669029575.db2.gz LVVYIXIKTIBQTD-HOCLYGCPSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000781090412 669029582 /nfs/dbraw/zinc/02/95/82/669029582.db2.gz LVVYIXIKTIBQTD-HOCLYGCPSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C[C@H](C)O)CC1 ZINC000781090412 669029587 /nfs/dbraw/zinc/02/95/87/669029587.db2.gz LVVYIXIKTIBQTD-HOCLYGCPSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C[C@H](C)O)CC1 ZINC000781090412 669029592 /nfs/dbraw/zinc/02/95/92/669029592.db2.gz LVVYIXIKTIBQTD-HOCLYGCPSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CCC1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCC1 ZINC000933304236 669481539 /nfs/dbraw/zinc/48/15/39/669481539.db2.gz IVPPNODHJLIMOQ-INIZCTEOSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000950381051 670012420 /nfs/dbraw/zinc/01/24/20/670012420.db2.gz HNKDJLHHLLTESQ-GDBMZVCRSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000950381051 670012426 /nfs/dbraw/zinc/01/24/26/670012426.db2.gz HNKDJLHHLLTESQ-GDBMZVCRSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000948541193 670127809 /nfs/dbraw/zinc/12/78/09/670127809.db2.gz DMPJDVDGVKKENR-OWCLPIDISA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948541193 670127811 /nfs/dbraw/zinc/12/78/11/670127811.db2.gz DMPJDVDGVKKENR-OWCLPIDISA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948541193 670127813 /nfs/dbraw/zinc/12/78/13/670127813.db2.gz DMPJDVDGVKKENR-OWCLPIDISA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541193 670127816 /nfs/dbraw/zinc/12/78/16/670127816.db2.gz DMPJDVDGVKKENR-OWCLPIDISA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000854568117 670589422 /nfs/dbraw/zinc/58/94/22/670589422.db2.gz HQXWPIAZYUCEGA-WBVHZDCISA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000854568117 670589426 /nfs/dbraw/zinc/58/94/26/670589426.db2.gz HQXWPIAZYUCEGA-WBVHZDCISA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCOC[C@H]2C)CC1 ZINC000854568117 670589431 /nfs/dbraw/zinc/58/94/31/670589431.db2.gz HQXWPIAZYUCEGA-WBVHZDCISA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCOC[C@H]2C)CC1 ZINC000854568117 670589433 /nfs/dbraw/zinc/58/94/33/670589433.db2.gz HQXWPIAZYUCEGA-WBVHZDCISA-N 2 1 319.449 0.796 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000855403436 670704629 /nfs/dbraw/zinc/70/46/29/670704629.db2.gz NKULMRZNLONUNB-KRWDZBQOSA-N 2 1 317.433 0.987 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000816750768 670857950 /nfs/dbraw/zinc/85/79/50/670857950.db2.gz RNSFVILNVZXJCK-IRXDYDNUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001020250603 693745460 /nfs/dbraw/zinc/74/54/60/693745460.db2.gz JFOMAZGQQQHCGO-YDHLFZDLSA-N 2 1 318.446 0.978 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001020250603 693745464 /nfs/dbraw/zinc/74/54/64/693745464.db2.gz JFOMAZGQQQHCGO-YDHLFZDLSA-N 2 1 318.446 0.978 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001020250688 693745696 /nfs/dbraw/zinc/74/56/96/693745696.db2.gz LGQKDLILRSHXFL-QAETUUGQSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001020250688 693745699 /nfs/dbraw/zinc/74/56/99/693745699.db2.gz LGQKDLILRSHXFL-QAETUUGQSA-N 2 1 319.449 0.747 20 30 DCEDMP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000303897698 685207926 /nfs/dbraw/zinc/20/79/26/685207926.db2.gz QUNCXYBRRQGRQD-CQSZACIVSA-N 2 1 309.458 0.097 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303897698 685207929 /nfs/dbraw/zinc/20/79/29/685207929.db2.gz QUNCXYBRRQGRQD-CQSZACIVSA-N 3 1 309.458 0.097 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000303897698 685207931 /nfs/dbraw/zinc/20/79/31/685207931.db2.gz QUNCXYBRRQGRQD-CQSZACIVSA-N 3 1 309.458 0.097 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303981583 685209949 /nfs/dbraw/zinc/20/99/49/685209949.db2.gz PHEXJGWILQSQKX-LSDHHAIUSA-N 3 1 310.490 0.011 20 30 DCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N1CCN(C)CC1 ZINC000303981583 685209957 /nfs/dbraw/zinc/20/99/57/685209957.db2.gz PHEXJGWILQSQKX-LSDHHAIUSA-N 2 1 310.490 0.011 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N1CCN(C)CC1 ZINC000303981583 685209963 /nfs/dbraw/zinc/20/99/63/685209963.db2.gz PHEXJGWILQSQKX-LSDHHAIUSA-N 2 1 310.490 0.011 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304762902 685211594 /nfs/dbraw/zinc/21/15/94/685211594.db2.gz WDZGZHVTABTHCR-CQSZACIVSA-N 3 1 311.474 0.486 20 30 DCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N(C)C)CCOCC1 ZINC000304762902 685211597 /nfs/dbraw/zinc/21/15/97/685211597.db2.gz WDZGZHVTABTHCR-CQSZACIVSA-N 2 1 311.474 0.486 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N(C)C)CCOCC1 ZINC000304762902 685211600 /nfs/dbraw/zinc/21/16/00/685211600.db2.gz WDZGZHVTABTHCR-CQSZACIVSA-N 2 1 311.474 0.486 20 30 DCEDMP CO[C@]1(C)C[C@@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C1(C)C ZINC000304774491 685211992 /nfs/dbraw/zinc/21/19/92/685211992.db2.gz BXRBAPXAPMELHU-CZUORRHYSA-N 2 1 312.458 0.817 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958224179 687455524 /nfs/dbraw/zinc/45/55/24/687455524.db2.gz TXKKTMNSIHXAKJ-GDBMZVCRSA-N 2 1 314.389 0.933 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597772 687785784 /nfs/dbraw/zinc/78/57/84/687785784.db2.gz GBMIFYWYFCZXDE-CJNGLKHVSA-N 2 1 316.405 0.193 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597772 687785787 /nfs/dbraw/zinc/78/57/87/687785787.db2.gz GBMIFYWYFCZXDE-CJNGLKHVSA-N 2 1 316.405 0.193 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](O)C1 ZINC000958717407 687872130 /nfs/dbraw/zinc/87/21/30/687872130.db2.gz QIGQRDFATPXUDS-IAGOWNOFSA-N 2 1 317.433 0.957 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC)C[C@@H]2O)CC1 ZINC000958724131 687876629 /nfs/dbraw/zinc/87/66/29/687876629.db2.gz LWUNNILNZWTRIG-CVEARBPZSA-N 2 1 307.438 0.151 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038808951 694198375 /nfs/dbraw/zinc/19/83/75/694198375.db2.gz FWSNAZJFSISUDZ-OAHLLOKOSA-N 2 1 305.426 0.825 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038808951 694198377 /nfs/dbraw/zinc/19/83/77/694198377.db2.gz FWSNAZJFSISUDZ-OAHLLOKOSA-N 2 1 305.426 0.825 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000961579034 688660169 /nfs/dbraw/zinc/66/01/69/688660169.db2.gz CGRMUDQOVLUFGO-XUWVNRHRSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000961579034 688660173 /nfs/dbraw/zinc/66/01/73/688660173.db2.gz CGRMUDQOVLUFGO-XUWVNRHRSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961579034 688660177 /nfs/dbraw/zinc/66/01/77/688660177.db2.gz CGRMUDQOVLUFGO-XUWVNRHRSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961579034 688660178 /nfs/dbraw/zinc/66/01/78/688660178.db2.gz CGRMUDQOVLUFGO-XUWVNRHRSA-N 2 1 307.438 0.718 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000964030758 689119777 /nfs/dbraw/zinc/11/97/77/689119777.db2.gz XRJRVWGYFVCNGH-KBMGIXFMSA-N 2 1 305.422 0.356 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000964030758 689119779 /nfs/dbraw/zinc/11/97/79/689119779.db2.gz XRJRVWGYFVCNGH-KBMGIXFMSA-N 2 1 305.422 0.356 20 30 DCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000965925137 689584298 /nfs/dbraw/zinc/58/42/98/689584298.db2.gz JLBBJRDMUAKWSB-LETWWHAPSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000965925137 689584300 /nfs/dbraw/zinc/58/43/00/689584300.db2.gz JLBBJRDMUAKWSB-LETWWHAPSA-N 2 1 307.438 0.910 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2C)CC1 ZINC000968682939 690365386 /nfs/dbraw/zinc/36/53/86/690365386.db2.gz WKNANCZBGUFZNR-DOTOQJQBSA-N 2 1 321.465 0.541 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000968909166 690421692 /nfs/dbraw/zinc/42/16/92/690421692.db2.gz BYOUARTVXANXRT-HUUCEWRRSA-N 2 1 305.426 0.580 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000968954625 690434394 /nfs/dbraw/zinc/43/43/94/690434394.db2.gz NWEZOUCZDPZJQB-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000968954625 690434396 /nfs/dbraw/zinc/43/43/96/690434396.db2.gz NWEZOUCZDPZJQB-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014709165 692077890 /nfs/dbraw/zinc/07/78/90/692077890.db2.gz AVTZBOTXLXGXKR-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014709165 692077894 /nfs/dbraw/zinc/07/78/94/692077894.db2.gz AVTZBOTXLXGXKR-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014709165 692077896 /nfs/dbraw/zinc/07/78/96/692077896.db2.gz AVTZBOTXLXGXKR-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCC)CCCO1 ZINC001073640088 694757770 /nfs/dbraw/zinc/75/77/70/694757770.db2.gz ULTTZZWHEUAUOQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCC)CCCO1 ZINC001073640088 694757771 /nfs/dbraw/zinc/75/77/71/694757771.db2.gz ULTTZZWHEUAUOQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCC)CCCO1 ZINC001073640088 694757772 /nfs/dbraw/zinc/75/77/72/694757772.db2.gz ULTTZZWHEUAUOQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCC)CCCO1 ZINC001073640088 694757773 /nfs/dbraw/zinc/75/77/73/694757773.db2.gz ULTTZZWHEUAUOQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001073697526 694769131 /nfs/dbraw/zinc/76/91/31/694769131.db2.gz LOMJHGXMZYXGMG-INIZCTEOSA-N 2 1 312.373 0.788 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001073697526 694769132 /nfs/dbraw/zinc/76/91/32/694769132.db2.gz LOMJHGXMZYXGMG-INIZCTEOSA-N 2 1 312.373 0.788 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861309 694793607 /nfs/dbraw/zinc/79/36/07/694793607.db2.gz BKFMJILQDMORHR-OAHLLOKOSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC=C)CCCO2)CC1 ZINC001073898924 694798642 /nfs/dbraw/zinc/79/86/42/694798642.db2.gz GQBRUGWQNRXOAB-KRWDZBQOSA-N 2 1 319.449 0.725 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001570765072 1162616586 /nfs/dbraw/zinc/61/65/86/1162616586.db2.gz LXYIZMKRKCYLAL-UHFFFAOYSA-N 2 1 309.454 0.847 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001571443923 1162759049 /nfs/dbraw/zinc/75/90/49/1162759049.db2.gz BCQZAGIWMHIRBN-DLBZAZTESA-N 2 1 317.433 0.769 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001571565853 1162811887 /nfs/dbraw/zinc/81/18/87/1162811887.db2.gz HGQZKWMFVDQJPD-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001571563404 1162812576 /nfs/dbraw/zinc/81/25/76/1162812576.db2.gz JITWNDQLGUWGSH-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001571607479 1162858527 /nfs/dbraw/zinc/85/85/27/1162858527.db2.gz KZSUZZJZOBTNOP-OAHLLOKOSA-N 2 1 313.442 0.036 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001571607479 1162858534 /nfs/dbraw/zinc/85/85/34/1162858534.db2.gz KZSUZZJZOBTNOP-OAHLLOKOSA-N 2 1 313.442 0.036 20 30 DCEDMP C#CCC[N@H+](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001691236350 1157617837 /nfs/dbraw/zinc/61/78/37/1157617837.db2.gz AWRNATAWPHKSCZ-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001692038728 1157630302 /nfs/dbraw/zinc/63/03/02/1157630302.db2.gz ADBKQXOBSKLLLB-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cncn1C ZINC001691350219 1157649787 /nfs/dbraw/zinc/64/97/87/1157649787.db2.gz RJHWXNQXHXSDDN-HNNXBMFYSA-N 2 1 303.410 0.066 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cncn1C ZINC001691350219 1157649795 /nfs/dbraw/zinc/64/97/95/1157649795.db2.gz RJHWXNQXHXSDDN-HNNXBMFYSA-N 2 1 303.410 0.066 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001691385795 1157658929 /nfs/dbraw/zinc/65/89/29/1157658929.db2.gz BFDSDNVKJWYHTP-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001754685105 1157827841 /nfs/dbraw/zinc/82/78/41/1157827841.db2.gz DKFKKJIYUFNBME-INIZCTEOSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001754685105 1157827846 /nfs/dbraw/zinc/82/78/46/1157827846.db2.gz DKFKKJIYUFNBME-INIZCTEOSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754685105 1157827853 /nfs/dbraw/zinc/82/78/53/1157827853.db2.gz DKFKKJIYUFNBME-INIZCTEOSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754685105 1157827861 /nfs/dbraw/zinc/82/78/61/1157827861.db2.gz DKFKKJIYUFNBME-INIZCTEOSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001670798126 1158093459 /nfs/dbraw/zinc/09/34/59/1158093459.db2.gz TZJSSRBZLYUBOZ-HOTGVXAUSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001670798126 1158093465 /nfs/dbraw/zinc/09/34/65/1158093465.db2.gz TZJSSRBZLYUBOZ-HOTGVXAUSA-N 2 1 319.449 0.749 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001566648469 1159844340 /nfs/dbraw/zinc/84/43/40/1159844340.db2.gz MFXGXJHNVXVLHE-INIZCTEOSA-N 2 1 308.470 0.781 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001566033333 1159950389 /nfs/dbraw/zinc/95/03/89/1159950389.db2.gz SGXAZMICRUDSGT-OAHLLOKOSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001566860389 1160170232 /nfs/dbraw/zinc/17/02/32/1160170232.db2.gz YADJUPOYTRPPDA-BARDWOONSA-N 2 1 322.453 0.256 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001567285561 1160297092 /nfs/dbraw/zinc/29/70/92/1160297092.db2.gz KOYIIPNWMASSSC-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001567285561 1160297095 /nfs/dbraw/zinc/29/70/95/1160297095.db2.gz KOYIIPNWMASSSC-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[NH+](C)C2CCC2)C1=O ZINC001567285561 1160297096 /nfs/dbraw/zinc/29/70/96/1160297096.db2.gz KOYIIPNWMASSSC-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C[NH+](C)C2CCC2)C1=O ZINC001567285561 1160297099 /nfs/dbraw/zinc/29/70/99/1160297099.db2.gz KOYIIPNWMASSSC-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001567496869 1160396608 /nfs/dbraw/zinc/39/66/08/1160396608.db2.gz AEUUVZZVFYMSFR-KFWWJZLASA-N 2 1 322.453 0.162 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567709244 1160460482 /nfs/dbraw/zinc/46/04/82/1160460482.db2.gz KBAAKOJIXDILIB-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567709244 1160460485 /nfs/dbraw/zinc/46/04/85/1160460485.db2.gz KBAAKOJIXDILIB-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567709244 1160460490 /nfs/dbraw/zinc/46/04/90/1160460490.db2.gz KBAAKOJIXDILIB-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001567831500 1160494468 /nfs/dbraw/zinc/49/44/68/1160494468.db2.gz WEFKLAHRHXFOFA-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001567831500 1160494472 /nfs/dbraw/zinc/49/44/72/1160494472.db2.gz WEFKLAHRHXFOFA-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1c[nH+]cc1C ZINC001568332091 1160630670 /nfs/dbraw/zinc/63/06/70/1160630670.db2.gz GPWMESJCKHRAPE-MRXNPFEDSA-N 2 1 320.437 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001569062056 1160931396 /nfs/dbraw/zinc/93/13/96/1160931396.db2.gz PSCPFHZUYIMUCJ-KBPBESRZSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001569062056 1160931398 /nfs/dbraw/zinc/93/13/98/1160931398.db2.gz PSCPFHZUYIMUCJ-KBPBESRZSA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001569878231 1161293141 /nfs/dbraw/zinc/29/31/41/1161293141.db2.gz RGDDXHZSEXDOEX-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001569878231 1161293147 /nfs/dbraw/zinc/29/31/47/1161293147.db2.gz RGDDXHZSEXDOEX-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001569878231 1161293152 /nfs/dbraw/zinc/29/31/52/1161293152.db2.gz RGDDXHZSEXDOEX-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001570166884 1161465933 /nfs/dbraw/zinc/46/59/33/1161465933.db2.gz FSDLYCNUCYFOAV-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001570166884 1161465948 /nfs/dbraw/zinc/46/59/48/1161465948.db2.gz FSDLYCNUCYFOAV-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC001574603841 1163735263 /nfs/dbraw/zinc/73/52/63/1163735263.db2.gz GAVPPSZXLPDMNX-QGZVFWFLSA-N 2 1 310.401 0.816 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001597123789 1168000066 /nfs/dbraw/zinc/00/00/66/1168000066.db2.gz XYJZFZXHVBTJSN-UHFFFAOYSA-N 3 1 303.410 0.890 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2cccnc2)CC1 ZINC001663339048 1174288260 /nfs/dbraw/zinc/28/82/60/1174288260.db2.gz CJSPMQWRJNYAQF-UHFFFAOYSA-N 2 1 314.433 0.975 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2cccnc2)CC1 ZINC001663339048 1174288261 /nfs/dbraw/zinc/28/82/61/1174288261.db2.gz CJSPMQWRJNYAQF-UHFFFAOYSA-N 2 1 314.433 0.975 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663340122 1174289367 /nfs/dbraw/zinc/28/93/67/1174289367.db2.gz ZVJPQMWANBBFFH-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663340122 1174289373 /nfs/dbraw/zinc/28/93/73/1174289373.db2.gz ZVJPQMWANBBFFH-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCOCC=C)C1 ZINC001663592313 1174327553 /nfs/dbraw/zinc/32/75/53/1174327553.db2.gz FRIFUKBVUNABBM-IRXDYDNUSA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCOCC=C)C1 ZINC001663592313 1174327559 /nfs/dbraw/zinc/32/75/59/1174327559.db2.gz FRIFUKBVUNABBM-IRXDYDNUSA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCOCC=C)C1 ZINC001663592313 1174327567 /nfs/dbraw/zinc/32/75/67/1174327567.db2.gz FRIFUKBVUNABBM-IRXDYDNUSA-N 2 1 319.449 0.725 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCOCC=C)C1 ZINC001663592313 1174327576 /nfs/dbraw/zinc/32/75/76/1174327576.db2.gz FRIFUKBVUNABBM-IRXDYDNUSA-N 2 1 319.449 0.725 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001663620902 1174334474 /nfs/dbraw/zinc/33/44/74/1174334474.db2.gz RRKXWULCTCLQDJ-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001667203856 1174668025 /nfs/dbraw/zinc/66/80/25/1174668025.db2.gz MHAWQKHBBFKCCU-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001669974422 1174967215 /nfs/dbraw/zinc/96/72/15/1174967215.db2.gz VCTRENWRGVWAQH-IRXDYDNUSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001672002875 1175058609 /nfs/dbraw/zinc/05/86/09/1175058609.db2.gz AHZZJCAQDVVOQC-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001672002875 1175058616 /nfs/dbraw/zinc/05/86/16/1175058616.db2.gz AHZZJCAQDVVOQC-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001672002875 1175058619 /nfs/dbraw/zinc/05/86/19/1175058619.db2.gz AHZZJCAQDVVOQC-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001672455576 1175109543 /nfs/dbraw/zinc/10/95/43/1175109543.db2.gz MMGIYPGNZIRWPT-UHFFFAOYSA-N 2 1 320.481 0.664 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001672467691 1175110091 /nfs/dbraw/zinc/11/00/91/1175110091.db2.gz BZZKGFRQYMIWQA-OAHLLOKOSA-N 2 1 308.470 0.684 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001672503450 1175119593 /nfs/dbraw/zinc/11/95/93/1175119593.db2.gz MNLJSKYXLPTSQF-INIZCTEOSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001672503450 1175119600 /nfs/dbraw/zinc/11/96/00/1175119600.db2.gz MNLJSKYXLPTSQF-INIZCTEOSA-N 2 1 304.394 0.158 20 30 DCEDMP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001672677034 1175141356 /nfs/dbraw/zinc/14/13/56/1175141356.db2.gz QYZGDEIPPGZRRS-LBPRGKRZSA-N 2 1 303.834 0.491 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001672690270 1175143669 /nfs/dbraw/zinc/14/36/69/1175143669.db2.gz JLGXVZRAVRBSRI-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CCO1 ZINC001673274789 1175183896 /nfs/dbraw/zinc/18/38/96/1175183896.db2.gz ZKCPNGNIWZEJMU-CABCVRRESA-N 2 1 318.421 0.847 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001673885842 1175238217 /nfs/dbraw/zinc/23/82/17/1175238217.db2.gz RFWVFHVTEIZKOH-DZGCQCFKSA-N 2 1 304.394 0.278 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001674074998 1175251126 /nfs/dbraw/zinc/25/11/26/1175251126.db2.gz FEYNXGCLUPNWRM-HNNXBMFYSA-N 2 1 309.454 0.988 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NCCCCC[NH+]1CCN(CC#N)CC1 ZINC001674284610 1175266107 /nfs/dbraw/zinc/26/61/07/1175266107.db2.gz RQYLQGIDIAQQQH-INIZCTEOSA-N 2 1 321.469 0.508 20 30 DCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001677419169 1175563832 /nfs/dbraw/zinc/56/38/32/1175563832.db2.gz GPWHEHRVFCCNOO-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001689139309 1176706052 /nfs/dbraw/zinc/70/60/52/1176706052.db2.gz KKRCVAVOVTWPHK-UHFFFAOYSA-N 2 1 319.409 0.558 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001690584851 1177275568 /nfs/dbraw/zinc/27/55/68/1177275568.db2.gz UTWUJJRFOMSBOT-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC#CCOC)C1 ZINC001690614196 1177281900 /nfs/dbraw/zinc/28/19/00/1177281900.db2.gz FLSSDUNADCFEBQ-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001690732422 1177313859 /nfs/dbraw/zinc/31/38/59/1177313859.db2.gz JRMRHVKXDNFAQQ-CABCVRRESA-N 2 1 300.406 0.825 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691924899 1177384657 /nfs/dbraw/zinc/38/46/57/1177384657.db2.gz MVVHDINLPCSNJY-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691924899 1177384661 /nfs/dbraw/zinc/38/46/61/1177384661.db2.gz MVVHDINLPCSNJY-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691924899 1177384671 /nfs/dbraw/zinc/38/46/71/1177384671.db2.gz MVVHDINLPCSNJY-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001692238771 1177457202 /nfs/dbraw/zinc/45/72/02/1177457202.db2.gz YAVKLYQORMDDFF-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC#CCOC ZINC001699185589 1177923177 /nfs/dbraw/zinc/92/31/77/1177923177.db2.gz WHGQYVZJWUAJLD-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001699923882 1178382715 /nfs/dbraw/zinc/38/27/15/1178382715.db2.gz RWJWBGXUIPAXGM-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001700203466 1178530079 /nfs/dbraw/zinc/53/00/79/1178530079.db2.gz QYKUPDOXHJNPDO-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001700203466 1178530085 /nfs/dbraw/zinc/53/00/85/1178530085.db2.gz QYKUPDOXHJNPDO-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001700203466 1178530089 /nfs/dbraw/zinc/53/00/89/1178530089.db2.gz QYKUPDOXHJNPDO-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001700294611 1178568761 /nfs/dbraw/zinc/56/87/61/1178568761.db2.gz ZDEBCCJCOSCBJD-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001700294611 1178568765 /nfs/dbraw/zinc/56/87/65/1178568765.db2.gz ZDEBCCJCOSCBJD-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001700294611 1178568766 /nfs/dbraw/zinc/56/87/66/1178568766.db2.gz ZDEBCCJCOSCBJD-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001700352197 1178592507 /nfs/dbraw/zinc/59/25/07/1178592507.db2.gz UOSJZSNHBCEATP-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001700352197 1178592510 /nfs/dbraw/zinc/59/25/10/1178592510.db2.gz UOSJZSNHBCEATP-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001700352197 1178592514 /nfs/dbraw/zinc/59/25/14/1178592514.db2.gz UOSJZSNHBCEATP-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001700352197 1178592516 /nfs/dbraw/zinc/59/25/16/1178592516.db2.gz UOSJZSNHBCEATP-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001700947245 1178823407 /nfs/dbraw/zinc/82/34/07/1178823407.db2.gz OOQVDIWQDIGHGR-GJZGRUSLSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001707266890 1180451949 /nfs/dbraw/zinc/45/19/49/1180451949.db2.gz RJNKSOJBWXMFHR-OAGGEKHMSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001713541627 1180911405 /nfs/dbraw/zinc/91/14/05/1180911405.db2.gz LYVJOIUKTZMPLJ-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001713667188 1181008632 /nfs/dbraw/zinc/00/86/32/1181008632.db2.gz BRPLOTSXZJEDQL-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001713987780 1181186543 /nfs/dbraw/zinc/18/65/43/1181186543.db2.gz BBJOBSGECYEXGD-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714043853 1181222339 /nfs/dbraw/zinc/22/23/39/1181222339.db2.gz CPZMRQSDBKJGPT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001714048201 1181224847 /nfs/dbraw/zinc/22/48/47/1181224847.db2.gz LKOBZJNJOSVYCG-HNNXBMFYSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714048201 1181224850 /nfs/dbraw/zinc/22/48/50/1181224850.db2.gz LKOBZJNJOSVYCG-HNNXBMFYSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714048201 1181224855 /nfs/dbraw/zinc/22/48/55/1181224855.db2.gz LKOBZJNJOSVYCG-HNNXBMFYSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001714125508 1181255280 /nfs/dbraw/zinc/25/52/80/1181255280.db2.gz XAEKGPSOXKEZBC-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001714325554 1181321147 /nfs/dbraw/zinc/32/11/47/1181321147.db2.gz UBDYQLCJHQZQJC-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001714325554 1181321153 /nfs/dbraw/zinc/32/11/53/1181321153.db2.gz UBDYQLCJHQZQJC-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001714613709 1181439602 /nfs/dbraw/zinc/43/96/02/1181439602.db2.gz QNTUDTVNRFHHOC-INIZCTEOSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001714613709 1181439605 /nfs/dbraw/zinc/43/96/05/1181439605.db2.gz QNTUDTVNRFHHOC-INIZCTEOSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001714610773 1181439716 /nfs/dbraw/zinc/43/97/16/1181439716.db2.gz IMDCRYGPHIDPDX-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001714610773 1181439718 /nfs/dbraw/zinc/43/97/18/1181439718.db2.gz IMDCRYGPHIDPDX-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001714610773 1181439722 /nfs/dbraw/zinc/43/97/22/1181439722.db2.gz IMDCRYGPHIDPDX-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccon2)CC1 ZINC001714880983 1181582801 /nfs/dbraw/zinc/58/28/01/1181582801.db2.gz NFLNMCWJADGKAG-AWEZNQCLSA-N 2 1 318.421 0.956 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715025080 1181656993 /nfs/dbraw/zinc/65/69/93/1181656993.db2.gz QYJUEHSVBXVJOO-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715025080 1181656996 /nfs/dbraw/zinc/65/69/96/1181656996.db2.gz QYJUEHSVBXVJOO-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001715520785 1181838251 /nfs/dbraw/zinc/83/82/51/1181838251.db2.gz QHMUAZQMKITPCK-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715520785 1181838254 /nfs/dbraw/zinc/83/82/54/1181838254.db2.gz QHMUAZQMKITPCK-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001715520785 1181838258 /nfs/dbraw/zinc/83/82/58/1181838258.db2.gz QHMUAZQMKITPCK-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC[C@H](C)O ZINC001715859633 1182057001 /nfs/dbraw/zinc/05/70/01/1182057001.db2.gz PHFLPIJZMKLZJJ-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC[C@H](C)O ZINC001715859633 1182057007 /nfs/dbraw/zinc/05/70/07/1182057007.db2.gz PHFLPIJZMKLZJJ-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC[C@H](C)O ZINC001715859633 1182057012 /nfs/dbraw/zinc/05/70/12/1182057012.db2.gz PHFLPIJZMKLZJJ-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC[C@H](C)O ZINC001715859633 1182057017 /nfs/dbraw/zinc/05/70/17/1182057017.db2.gz PHFLPIJZMKLZJJ-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001716449125 1182393930 /nfs/dbraw/zinc/39/39/30/1182393930.db2.gz ANFISZRYKHUHBA-MJBXVCDLSA-N 2 1 310.442 0.256 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001716770717 1182519427 /nfs/dbraw/zinc/51/94/27/1182519427.db2.gz MIGRXQHYXKROOI-ZBFHGGJFSA-N 2 1 318.421 0.810 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001716921243 1182576892 /nfs/dbraw/zinc/57/68/92/1182576892.db2.gz NJOYYYNIGZACGZ-KRWDZBQOSA-N 2 1 312.373 0.443 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCO)CC1 ZINC001717376325 1182807595 /nfs/dbraw/zinc/80/75/95/1182807595.db2.gz NXFGXRCQOQDSNK-QGZVFWFLSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001717486847 1182857710 /nfs/dbraw/zinc/85/77/10/1182857710.db2.gz DRJMHQLXCMXITR-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001717486847 1182857717 /nfs/dbraw/zinc/85/77/17/1182857717.db2.gz DRJMHQLXCMXITR-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001717486847 1182857721 /nfs/dbraw/zinc/85/77/21/1182857721.db2.gz DRJMHQLXCMXITR-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001717486847 1182857727 /nfs/dbraw/zinc/85/77/27/1182857727.db2.gz DRJMHQLXCMXITR-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCC1CC1 ZINC001717939780 1183076918 /nfs/dbraw/zinc/07/69/18/1183076918.db2.gz NUEITQXNOSSJCV-IRXDYDNUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC1CC1 ZINC001717939780 1183076923 /nfs/dbraw/zinc/07/69/23/1183076923.db2.gz NUEITQXNOSSJCV-IRXDYDNUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC1CC1 ZINC001717939780 1183076928 /nfs/dbraw/zinc/07/69/28/1183076928.db2.gz NUEITQXNOSSJCV-IRXDYDNUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC1CC1 ZINC001717939780 1183076929 /nfs/dbraw/zinc/07/69/29/1183076929.db2.gz NUEITQXNOSSJCV-IRXDYDNUSA-N 2 1 321.465 0.635 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001718026835 1183116705 /nfs/dbraw/zinc/11/67/05/1183116705.db2.gz QXRYCHGZLJRIET-UHFFFAOYSA-N 2 1 307.438 0.726 20 30 DCEDMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CCOC)CC1 ZINC001724064826 1184375238 /nfs/dbraw/zinc/37/52/38/1184375238.db2.gz KSPFXWUKCLDKSH-UHFFFAOYSA-N 2 1 318.421 0.764 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001724152431 1184387945 /nfs/dbraw/zinc/38/79/45/1184387945.db2.gz CWPYQKDUJAJLSU-JZXOWHBKSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001724152431 1184387951 /nfs/dbraw/zinc/38/79/51/1184387951.db2.gz CWPYQKDUJAJLSU-JZXOWHBKSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001724152431 1184387959 /nfs/dbraw/zinc/38/79/59/1184387959.db2.gz CWPYQKDUJAJLSU-JZXOWHBKSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001724224861 1184402676 /nfs/dbraw/zinc/40/26/76/1184402676.db2.gz KJQNBVKANXMDPT-INIZCTEOSA-N 2 1 304.394 0.811 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001724423169 1184438758 /nfs/dbraw/zinc/43/87/58/1184438758.db2.gz WUZYWWDBPNJNBT-IRXDYDNUSA-N 2 1 305.422 0.049 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001724423169 1184438762 /nfs/dbraw/zinc/43/87/62/1184438762.db2.gz WUZYWWDBPNJNBT-IRXDYDNUSA-N 2 1 305.422 0.049 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001724423169 1184438766 /nfs/dbraw/zinc/43/87/66/1184438766.db2.gz WUZYWWDBPNJNBT-IRXDYDNUSA-N 2 1 305.422 0.049 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001724629642 1184481651 /nfs/dbraw/zinc/48/16/51/1184481651.db2.gz VMLHPEZDYYDQQP-YESZJQIVSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001724629642 1184481654 /nfs/dbraw/zinc/48/16/54/1184481654.db2.gz VMLHPEZDYYDQQP-YESZJQIVSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001724629642 1184481656 /nfs/dbraw/zinc/48/16/56/1184481656.db2.gz VMLHPEZDYYDQQP-YESZJQIVSA-N 2 1 321.465 0.921 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724962828 1184635720 /nfs/dbraw/zinc/63/57/20/1184635720.db2.gz ZKYWAMOAGKIRMA-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725049102 1184668319 /nfs/dbraw/zinc/66/83/19/1184668319.db2.gz MNWCZESIQDESMI-MRXNPFEDSA-N 2 1 317.437 0.614 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001725170950 1184706543 /nfs/dbraw/zinc/70/65/43/1184706543.db2.gz MLWKLFVNAYTWHL-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725170950 1184706547 /nfs/dbraw/zinc/70/65/47/1184706547.db2.gz MLWKLFVNAYTWHL-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725170950 1184706553 /nfs/dbraw/zinc/70/65/53/1184706553.db2.gz MLWKLFVNAYTWHL-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001725577407 1184893547 /nfs/dbraw/zinc/89/35/47/1184893547.db2.gz ZZYWXNMHUPTIKN-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001725723080 1184973084 /nfs/dbraw/zinc/97/30/84/1184973084.db2.gz LOXGPWKBEWERCQ-KRWDZBQOSA-N 2 1 321.465 0.493 20 30 DCEDMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC#Cc1ccccc1 ZINC001731590001 1185401460 /nfs/dbraw/zinc/40/14/60/1185401460.db2.gz XSSIBBMMJILAEC-RDJZCZTQSA-N 2 1 315.417 0.463 20 30 DCEDMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC#Cc1ccccc1 ZINC001731590001 1185401464 /nfs/dbraw/zinc/40/14/64/1185401464.db2.gz XSSIBBMMJILAEC-RDJZCZTQSA-N 2 1 315.417 0.463 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001731860091 1185536207 /nfs/dbraw/zinc/53/62/07/1185536207.db2.gz IEFRHCBABBWBNX-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnoc1C ZINC001732346882 1185774891 /nfs/dbraw/zinc/77/48/91/1185774891.db2.gz FUQDDNSOPBFGMF-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnoc1C ZINC001732346882 1185774897 /nfs/dbraw/zinc/77/48/97/1185774897.db2.gz FUQDDNSOPBFGMF-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001732598688 1185868417 /nfs/dbraw/zinc/86/84/17/1185868417.db2.gz RUBUXXRVLHZZBN-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001732598688 1185868426 /nfs/dbraw/zinc/86/84/26/1185868426.db2.gz RUBUXXRVLHZZBN-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001732983111 1186090816 /nfs/dbraw/zinc/09/08/16/1186090816.db2.gz FVCAAMXBQOWPQU-ZIAGYGMSSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001733184323 1186172658 /nfs/dbraw/zinc/17/26/58/1186172658.db2.gz UUBPQHIQRVZIGW-ZBFHGGJFSA-N 2 1 300.406 0.872 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001733583687 1186343743 /nfs/dbraw/zinc/34/37/43/1186343743.db2.gz VXWGSSDJLKLEOW-UHFFFAOYSA-N 2 1 305.426 0.548 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001733743459 1186427926 /nfs/dbraw/zinc/42/79/26/1186427926.db2.gz NQMHQIWUUGLCEF-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)O2 ZINC001733791957 1186449884 /nfs/dbraw/zinc/44/98/84/1186449884.db2.gz WRGPEEOSVMXIED-HNNXBMFYSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001733919192 1186497411 /nfs/dbraw/zinc/49/74/11/1186497411.db2.gz VXFDXWKMUWDHNS-HNNXBMFYSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001734554051 1186689259 /nfs/dbraw/zinc/68/92/59/1186689259.db2.gz ANJBTBYIQSYOQP-MRXNPFEDSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001734554051 1186689261 /nfs/dbraw/zinc/68/92/61/1186689261.db2.gz ANJBTBYIQSYOQP-MRXNPFEDSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001734554051 1186689263 /nfs/dbraw/zinc/68/92/63/1186689263.db2.gz ANJBTBYIQSYOQP-MRXNPFEDSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001752283321 1188410809 /nfs/dbraw/zinc/41/08/09/1188410809.db2.gz ORZUJGQCENQEDT-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001752374388 1188419374 /nfs/dbraw/zinc/41/93/74/1188419374.db2.gz GZBVDEWJGBVJFW-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001752632256 1188429946 /nfs/dbraw/zinc/42/99/46/1188429946.db2.gz BNYBMXFCTWRCGU-YHUYYLMFSA-N 2 1 307.438 0.603 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001752633447 1188430813 /nfs/dbraw/zinc/43/08/13/1188430813.db2.gz VHSBMHWNRNTASA-KJWHEZOQSA-N 2 1 322.453 0.254 20 30 DCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001752927092 1188463468 /nfs/dbraw/zinc/46/34/68/1188463468.db2.gz LKDUFGPHTFLSBT-CABCVRRESA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001752943726 1188465823 /nfs/dbraw/zinc/46/58/23/1188465823.db2.gz OTOHEFONVGBEPO-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP CCC[N@@H+](CC#CCOC)CCNC(=O)Cn1cc[nH+]c1C ZINC001753150031 1188515596 /nfs/dbraw/zinc/51/55/96/1188515596.db2.gz ZGUYIBJRDSSNAW-UHFFFAOYSA-N 2 1 306.410 0.670 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)Cn1cc[nH+]c1C ZINC001753150031 1188515598 /nfs/dbraw/zinc/51/55/98/1188515598.db2.gz ZGUYIBJRDSSNAW-UHFFFAOYSA-N 2 1 306.410 0.670 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001753427505 1188591997 /nfs/dbraw/zinc/59/19/97/1188591997.db2.gz KBTGDLWFEUTUIF-KKUMJFAQSA-N 2 1 322.453 0.302 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CC3CCC3)C2)CC1 ZINC001754779654 1188935036 /nfs/dbraw/zinc/93/50/36/1188935036.db2.gz RCHUEGKDAARTPY-UHFFFAOYSA-N 2 1 319.449 0.295 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001755432275 1189110293 /nfs/dbraw/zinc/11/02/93/1189110293.db2.gz SLILQTJCKMHACX-OSYLJGHBSA-N 2 1 321.465 0.825 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001755591438 1189154519 /nfs/dbraw/zinc/15/45/19/1189154519.db2.gz KGULQBXDKTYCKS-HOTGVXAUSA-N 2 1 305.422 0.170 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001755591438 1189154522 /nfs/dbraw/zinc/15/45/22/1189154522.db2.gz KGULQBXDKTYCKS-HOTGVXAUSA-N 2 1 305.422 0.170 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#CCOC)[C@@H]1C ZINC001755720999 1189193601 /nfs/dbraw/zinc/19/36/01/1189193601.db2.gz LKVJCRSGUGDCAA-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#CCOC)[C@@H]1C ZINC001755720999 1189193603 /nfs/dbraw/zinc/19/36/03/1189193603.db2.gz LKVJCRSGUGDCAA-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#CCOC)[C@@H]1C ZINC001755720999 1189193607 /nfs/dbraw/zinc/19/36/07/1189193607.db2.gz LKVJCRSGUGDCAA-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#CCOC)[C@@H]1C ZINC001755720999 1189193610 /nfs/dbraw/zinc/19/36/10/1189193610.db2.gz LKVJCRSGUGDCAA-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC(C)(C)C1 ZINC001089562252 751440632 /nfs/dbraw/zinc/44/06/32/751440632.db2.gz YPKHVVGYIJSELM-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC(C)(C)C1 ZINC001089562252 751440636 /nfs/dbraw/zinc/44/06/36/751440636.db2.gz YPKHVVGYIJSELM-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089562252 751440640 /nfs/dbraw/zinc/44/06/40/751440640.db2.gz YPKHVVGYIJSELM-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089562252 751440643 /nfs/dbraw/zinc/44/06/43/751440643.db2.gz YPKHVVGYIJSELM-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)CC[NH+](C)C)nn2)C1 ZINC001107202495 751947169 /nfs/dbraw/zinc/94/71/69/751947169.db2.gz IRYABPYLOUCRJQ-UHFFFAOYSA-N 2 1 306.414 0.279 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077281160 750313967 /nfs/dbraw/zinc/31/39/67/750313967.db2.gz YBMYNWNVASRFCM-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077281160 750313975 /nfs/dbraw/zinc/31/39/75/750313975.db2.gz YBMYNWNVASRFCM-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077281160 750313981 /nfs/dbraw/zinc/31/39/81/750313981.db2.gz YBMYNWNVASRFCM-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577853 751194501 /nfs/dbraw/zinc/19/45/01/751194501.db2.gz UDQFREPWENDUDN-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577853 751194506 /nfs/dbraw/zinc/19/45/06/751194506.db2.gz UDQFREPWENDUDN-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089907791 752587948 /nfs/dbraw/zinc/58/79/48/752587948.db2.gz OMCNPFURBWUFHQ-HZMVEIRTSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089907791 752587952 /nfs/dbraw/zinc/58/79/52/752587952.db2.gz OMCNPFURBWUFHQ-HZMVEIRTSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@H]2O)CC1 ZINC001078227217 753122770 /nfs/dbraw/zinc/12/27/70/753122770.db2.gz OLVSCRZPPAVGOW-IAGOWNOFSA-N 2 1 319.449 0.293 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046063797 753457416 /nfs/dbraw/zinc/45/74/16/753457416.db2.gz XWJZLHPEQUQTGI-CVEARBPZSA-N 2 1 306.454 0.178 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081842 753470530 /nfs/dbraw/zinc/47/05/30/753470530.db2.gz KOGVNDFXZFBCKB-HOTGVXAUSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081842 753470536 /nfs/dbraw/zinc/47/05/36/753470536.db2.gz KOGVNDFXZFBCKB-HOTGVXAUSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081842 753470542 /nfs/dbraw/zinc/47/05/42/753470542.db2.gz KOGVNDFXZFBCKB-HOTGVXAUSA-N 2 1 306.454 0.343 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831448 753956808 /nfs/dbraw/zinc/95/68/08/753956808.db2.gz MKBIYGKWLIAAEM-OAGGEKHMSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831448 753956814 /nfs/dbraw/zinc/95/68/14/753956814.db2.gz MKBIYGKWLIAAEM-OAGGEKHMSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001108160081 754481997 /nfs/dbraw/zinc/48/19/97/754481997.db2.gz CVUAQSVAQKGIFH-BQFCYCMXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001108160081 754481999 /nfs/dbraw/zinc/48/19/99/754481999.db2.gz CVUAQSVAQKGIFH-BQFCYCMXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160081 754482003 /nfs/dbraw/zinc/48/20/03/754482003.db2.gz CVUAQSVAQKGIFH-BQFCYCMXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160081 754482005 /nfs/dbraw/zinc/48/20/05/754482005.db2.gz CVUAQSVAQKGIFH-BQFCYCMXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)COC)C[C@@H]2C1 ZINC001048870060 754988047 /nfs/dbraw/zinc/98/80/47/754988047.db2.gz MVYIBMQAZNMDBA-NXOAAHMSSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@@H]2C1 ZINC001048870060 754988051 /nfs/dbraw/zinc/98/80/51/754988051.db2.gz MVYIBMQAZNMDBA-NXOAAHMSSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H](C)COC)C[C@@H]2C1 ZINC001048870060 754988053 /nfs/dbraw/zinc/98/80/53/754988053.db2.gz MVYIBMQAZNMDBA-NXOAAHMSSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H](C)COC)C[C@@H]2C1 ZINC001048870060 754988057 /nfs/dbraw/zinc/98/80/57/754988057.db2.gz MVYIBMQAZNMDBA-NXOAAHMSSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049134655 755141154 /nfs/dbraw/zinc/14/11/54/755141154.db2.gz AVEMFNMOAKYYMD-IYBDPMFKSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@@H]3C2)CC1 ZINC001049235129 755197074 /nfs/dbraw/zinc/19/70/74/755197074.db2.gz LFZVLPAOBHABPI-OIISXLGYSA-N 2 1 319.449 0.103 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)O2 ZINC001053603182 756115555 /nfs/dbraw/zinc/11/55/55/756115555.db2.gz PFYKBEQLVMVBNS-BZUAXINKSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)O2 ZINC001053603182 756115561 /nfs/dbraw/zinc/11/55/61/756115561.db2.gz PFYKBEQLVMVBNS-BZUAXINKSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)O2 ZINC001053603183 756115608 /nfs/dbraw/zinc/11/56/08/756115608.db2.gz PFYKBEQLVMVBNS-OWCLPIDISA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)O2 ZINC001053603183 756115611 /nfs/dbraw/zinc/11/56/11/756115611.db2.gz PFYKBEQLVMVBNS-OWCLPIDISA-N 2 1 319.449 0.700 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161389 756117976 /nfs/dbraw/zinc/11/79/76/756117976.db2.gz ZUWZASKRZXMFLA-MYPHYYIGSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080161389 756117979 /nfs/dbraw/zinc/11/79/79/756117979.db2.gz ZUWZASKRZXMFLA-MYPHYYIGSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080161389 756117981 /nfs/dbraw/zinc/11/79/81/756117981.db2.gz ZUWZASKRZXMFLA-MYPHYYIGSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)O2 ZINC001053698873 756151881 /nfs/dbraw/zinc/15/18/81/756151881.db2.gz XJIIMAZNQZCCOG-CABCVRRESA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001053698873 756151885 /nfs/dbraw/zinc/15/18/85/756151885.db2.gz XJIIMAZNQZCCOG-CABCVRRESA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082052989 756908442 /nfs/dbraw/zinc/90/84/42/756908442.db2.gz SHHCVOXOGHVMOX-GVDBMIGSSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052989 756908444 /nfs/dbraw/zinc/90/84/44/756908444.db2.gz SHHCVOXOGHVMOX-GVDBMIGSSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052989 756908446 /nfs/dbraw/zinc/90/84/46/756908446.db2.gz SHHCVOXOGHVMOX-GVDBMIGSSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392174 757352772 /nfs/dbraw/zinc/35/27/72/757352772.db2.gz QRUNPAAPNXSZQH-LSDHHAIUSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001050700933 757986056 /nfs/dbraw/zinc/98/60/56/757986056.db2.gz POQLGFZEUHRFEB-UHFFFAOYSA-N 2 1 307.438 0.819 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108265 759184341 /nfs/dbraw/zinc/18/43/41/759184341.db2.gz LQFSFKIDBJUTKL-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108265 759184343 /nfs/dbraw/zinc/18/43/43/759184343.db2.gz LQFSFKIDBJUTKL-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091676717 767914305 /nfs/dbraw/zinc/91/43/05/767914305.db2.gz DTOCOTWRAICAAH-RYRKJORJSA-N 2 1 301.434 0.742 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148638390 768027576 /nfs/dbraw/zinc/02/75/76/768027576.db2.gz GQIXOZYAOLFTSA-UHFFFAOYSA-N 2 1 312.458 0.459 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100140711 761685492 /nfs/dbraw/zinc/68/54/92/761685492.db2.gz AJBUQNTUGHRQSB-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090437198 761693131 /nfs/dbraw/zinc/69/31/31/761693131.db2.gz ZLVVMWWLKXDAGW-CVEARBPZSA-N 2 1 312.373 0.523 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129421661 762933476 /nfs/dbraw/zinc/93/34/76/762933476.db2.gz BKWWVCHIGAABIM-CABCVRRESA-N 2 1 324.469 0.646 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880056 763096457 /nfs/dbraw/zinc/09/64/57/763096457.db2.gz URGORNUFDKUORS-CVEARBPZSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421798 763295039 /nfs/dbraw/zinc/29/50/39/763295039.db2.gz JRQDGWZLFHQFBG-UHFFFAOYSA-N 2 1 324.469 0.623 20 30 DCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519262 763842983 /nfs/dbraw/zinc/84/29/83/763842983.db2.gz BVECTRALDZDOCU-BOLLXYOYSA-N 2 1 307.438 0.910 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132426153 764452771 /nfs/dbraw/zinc/45/27/71/764452771.db2.gz SMIVBXSRYJIPSR-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132426153 764452775 /nfs/dbraw/zinc/45/27/75/764452775.db2.gz SMIVBXSRYJIPSR-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098479193 764492583 /nfs/dbraw/zinc/49/25/83/764492583.db2.gz WRMYISIEEAGHKM-WBVHZDCISA-N 2 1 321.465 0.493 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479193 764492587 /nfs/dbraw/zinc/49/25/87/764492587.db2.gz WRMYISIEEAGHKM-WBVHZDCISA-N 2 1 321.465 0.493 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479193 764492592 /nfs/dbraw/zinc/49/25/92/764492592.db2.gz WRMYISIEEAGHKM-WBVHZDCISA-N 2 1 321.465 0.493 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312545 764591793 /nfs/dbraw/zinc/59/17/93/764591793.db2.gz CGMTYPCHOKCDIU-NVXWUHKLSA-N 2 1 321.465 0.662 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132743112 764620401 /nfs/dbraw/zinc/62/04/01/764620401.db2.gz UVTBAVRIJHPHGO-HUUCEWRRSA-N 2 1 324.469 0.505 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103742295 765117944 /nfs/dbraw/zinc/11/79/44/765117944.db2.gz ADJYDZGRFGAZFW-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103742295 765117946 /nfs/dbraw/zinc/11/79/46/765117946.db2.gz ADJYDZGRFGAZFW-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103742295 765117949 /nfs/dbraw/zinc/11/79/49/765117949.db2.gz ADJYDZGRFGAZFW-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103742295 765117953 /nfs/dbraw/zinc/11/79/53/765117953.db2.gz ADJYDZGRFGAZFW-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870600 765185573 /nfs/dbraw/zinc/18/55/73/765185573.db2.gz UUDVVBDASLFBNI-LSDHHAIUSA-N 2 1 324.469 0.315 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133870102 765197686 /nfs/dbraw/zinc/19/76/86/765197686.db2.gz PWGMXLANDDAUDK-AWEZNQCLSA-N 2 1 304.394 0.110 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115145975 765606990 /nfs/dbraw/zinc/60/69/90/765606990.db2.gz RMFPYCVJLDQGGO-HALDLXJZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115145975 765606999 /nfs/dbraw/zinc/60/69/99/765606999.db2.gz RMFPYCVJLDQGGO-HALDLXJZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245475 765660610 /nfs/dbraw/zinc/66/06/10/765660610.db2.gz RQDULRYFKUHQLP-CAOSSQGBSA-N 2 1 307.438 0.577 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115462100 765740949 /nfs/dbraw/zinc/74/09/49/765740949.db2.gz RIGVUAUSVIMRAZ-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115462100 765740953 /nfs/dbraw/zinc/74/09/53/765740953.db2.gz RIGVUAUSVIMRAZ-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092614696 768360184 /nfs/dbraw/zinc/36/01/84/768360184.db2.gz PTLGHKKTRSTKNV-HUUCEWRRSA-N 2 1 319.453 0.928 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC001090706506 766494276 /nfs/dbraw/zinc/49/42/76/766494276.db2.gz JCUYEVDWJIZVBE-DLBZAZTESA-N 2 1 319.449 0.293 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC001090706506 766494278 /nfs/dbraw/zinc/49/42/78/766494278.db2.gz JCUYEVDWJIZVBE-DLBZAZTESA-N 2 1 319.449 0.293 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](O)C1 ZINC001090765846 766568247 /nfs/dbraw/zinc/56/82/47/766568247.db2.gz YPSYAKCGTFTVSX-UKRRQHHQSA-N 2 1 306.410 0.778 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C)C[C@H]2O)CC1 ZINC001090829481 766647040 /nfs/dbraw/zinc/64/70/40/766647040.db2.gz BTDBIKVFSXDSOS-JKSUJKDBSA-N 2 1 305.422 0.069 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)C[C@@H]2O)CC1 ZINC001090831949 766649342 /nfs/dbraw/zinc/64/93/42/766649342.db2.gz XNEVZTIKSPOTCD-SJORKVTESA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)C[C@H]2O)CC1 ZINC001090832008 766649633 /nfs/dbraw/zinc/64/96/33/766649633.db2.gz XSDXRKYAUMIYRF-IAGOWNOFSA-N 2 1 319.449 0.459 20 30 DCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001091151235 766961176 /nfs/dbraw/zinc/96/11/76/766961176.db2.gz RXLOYOHLIOZGJA-KUNBBXKYSA-N 2 1 319.449 0.910 20 30 DCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001091151236 766961860 /nfs/dbraw/zinc/96/18/60/766961860.db2.gz RXLOYOHLIOZGJA-QFQXCOSMSA-N 2 1 319.449 0.910 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)[C@H](C)C1 ZINC001093223140 768501173 /nfs/dbraw/zinc/50/11/73/768501173.db2.gz UIBLEXGDCOYBAR-NVXWUHKLSA-N 2 1 301.434 0.649 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001149863268 768890854 /nfs/dbraw/zinc/89/08/54/768890854.db2.gz ZRQHKARUXRZAJT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149863268 768890868 /nfs/dbraw/zinc/89/08/68/768890868.db2.gz ZRQHKARUXRZAJT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863268 768890880 /nfs/dbraw/zinc/89/08/80/768890880.db2.gz ZRQHKARUXRZAJT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863268 768890894 /nfs/dbraw/zinc/89/08/94/768890894.db2.gz ZRQHKARUXRZAJT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070158 768937800 /nfs/dbraw/zinc/93/78/00/768937800.db2.gz HEYRYOOEYVUDLJ-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070158 768937804 /nfs/dbraw/zinc/93/78/04/768937804.db2.gz HEYRYOOEYVUDLJ-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150299212 769060472 /nfs/dbraw/zinc/06/04/72/769060472.db2.gz MFRRTZREQYYAKD-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150299212 769060477 /nfs/dbraw/zinc/06/04/77/769060477.db2.gz MFRRTZREQYYAKD-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001151409846 769332524 /nfs/dbraw/zinc/33/25/24/769332524.db2.gz JLBSUYTXLMOCHR-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP C=CCOC1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001173311964 769586474 /nfs/dbraw/zinc/58/64/74/769586474.db2.gz STQCXNLLJGVKLU-UHFFFAOYSA-N 2 1 300.443 0.767 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001152528258 769593911 /nfs/dbraw/zinc/59/39/11/769593911.db2.gz BZQOGTRVSRESET-MRXNPFEDSA-N 2 1 303.406 0.645 20 30 DCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001154012773 770040318 /nfs/dbraw/zinc/04/03/18/770040318.db2.gz OBYPXUJVUWPJES-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001156144497 770730157 /nfs/dbraw/zinc/73/01/57/770730157.db2.gz DJCSNYNRSPYFRQ-MRXNPFEDSA-N 2 1 316.405 0.485 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001156144497 770730163 /nfs/dbraw/zinc/73/01/63/770730163.db2.gz DJCSNYNRSPYFRQ-MRXNPFEDSA-N 2 1 316.405 0.485 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC ZINC001178719765 770832354 /nfs/dbraw/zinc/83/23/54/770832354.db2.gz SKKUOJPWQKAOCE-HNNXBMFYSA-N 2 1 322.453 0.096 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC ZINC001178719765 770832365 /nfs/dbraw/zinc/83/23/65/770832365.db2.gz SKKUOJPWQKAOCE-HNNXBMFYSA-N 2 1 322.453 0.096 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCO)C1 ZINC001181764843 771344615 /nfs/dbraw/zinc/34/46/15/771344615.db2.gz WUBWSDTXOMDELN-SOLBZPMBSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCO)C1 ZINC001181764843 771344622 /nfs/dbraw/zinc/34/46/22/771344622.db2.gz WUBWSDTXOMDELN-SOLBZPMBSA-N 2 1 321.465 0.541 20 30 DCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249029 771627621 /nfs/dbraw/zinc/62/76/21/771627621.db2.gz APOQGQVONQRSPR-CABCVRRESA-N 2 1 305.426 0.580 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001158894958 771832071 /nfs/dbraw/zinc/83/20/71/771832071.db2.gz WBRVYLGIGCBOIR-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001158894958 771832072 /nfs/dbraw/zinc/83/20/72/771832072.db2.gz WBRVYLGIGCBOIR-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158894958 771832075 /nfs/dbraw/zinc/83/20/75/771832075.db2.gz WBRVYLGIGCBOIR-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158894958 771832078 /nfs/dbraw/zinc/83/20/78/771832078.db2.gz WBRVYLGIGCBOIR-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cn1 ZINC001160197881 772006875 /nfs/dbraw/zinc/00/68/75/772006875.db2.gz MBPXWVWZTFMSOR-INIZCTEOSA-N 2 1 318.396 0.914 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cn1 ZINC001160197881 772006882 /nfs/dbraw/zinc/00/68/82/772006882.db2.gz MBPXWVWZTFMSOR-INIZCTEOSA-N 2 1 318.396 0.914 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC12CCOCC2 ZINC001186552714 772059914 /nfs/dbraw/zinc/05/99/14/772059914.db2.gz KUSOCBKSDOLKJR-CVEARBPZSA-N 2 1 321.465 0.969 20 30 DCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596508 772686860 /nfs/dbraw/zinc/68/68/60/772686860.db2.gz LZQBHSORMPREKU-CABCVRRESA-N 2 1 307.438 0.912 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCOC)CC1 ZINC001165545254 772746323 /nfs/dbraw/zinc/74/63/23/772746323.db2.gz ITTOHJITKAIINK-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCOC)CC1 ZINC001165545254 772746324 /nfs/dbraw/zinc/74/63/24/772746324.db2.gz ITTOHJITKAIINK-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192008607 772857975 /nfs/dbraw/zinc/85/79/75/772857975.db2.gz ZGTTWQQYCLQXJJ-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192008607 772857978 /nfs/dbraw/zinc/85/79/78/772857978.db2.gz ZGTTWQQYCLQXJJ-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001192788894 772959367 /nfs/dbraw/zinc/95/93/67/772959367.db2.gz QGEXPUJVYQXXHG-INIZCTEOSA-N 2 1 317.437 0.614 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206872495 773116579 /nfs/dbraw/zinc/11/65/79/773116579.db2.gz GYRMQLVVWZKVSH-QGZVFWFLSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547024 773232979 /nfs/dbraw/zinc/23/29/79/773232979.db2.gz INBXNWNZOJJTPF-OAGGEKHMSA-N 2 1 319.453 0.826 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547024 773232986 /nfs/dbraw/zinc/23/29/86/773232986.db2.gz INBXNWNZOJJTPF-OAGGEKHMSA-N 2 1 319.453 0.826 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOCC=C)C1 ZINC001208355729 773440740 /nfs/dbraw/zinc/44/07/40/773440740.db2.gz GZDSUBUFXWUTAY-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOCC=C)C1 ZINC001208355729 773440742 /nfs/dbraw/zinc/44/07/42/773440742.db2.gz GZDSUBUFXWUTAY-IRXDYDNUSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209241991 773574222 /nfs/dbraw/zinc/57/42/22/773574222.db2.gz HUCNIVBNYNPPMH-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209241991 773574231 /nfs/dbraw/zinc/57/42/31/773574231.db2.gz HUCNIVBNYNPPMH-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209641308 773628766 /nfs/dbraw/zinc/62/87/66/773628766.db2.gz IJJSNXNYKGYSFR-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209659528 773631603 /nfs/dbraw/zinc/63/16/03/773631603.db2.gz FVYAYXACNOSKAR-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197018748 773685483 /nfs/dbraw/zinc/68/54/83/773685483.db2.gz WXEHBSVINNKHNK-OAGGEKHMSA-N 2 1 309.454 0.537 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197018748 773685484 /nfs/dbraw/zinc/68/54/84/773685484.db2.gz WXEHBSVINNKHNK-OAGGEKHMSA-N 2 1 309.454 0.537 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826030 773813581 /nfs/dbraw/zinc/81/35/81/773813581.db2.gz MZRSEIIVUDDRPK-RBSFLKMASA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198038043 773848744 /nfs/dbraw/zinc/84/87/44/773848744.db2.gz HNOCGURHZUTMQN-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198038043 773848747 /nfs/dbraw/zinc/84/87/47/773848747.db2.gz HNOCGURHZUTMQN-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198038043 773848750 /nfs/dbraw/zinc/84/87/50/773848750.db2.gz HNOCGURHZUTMQN-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001199119438 774042631 /nfs/dbraw/zinc/04/26/31/774042631.db2.gz FCTZPAPZAQMUOU-BRWVUGGUSA-N 2 1 315.417 0.474 20 30 DCEDMP C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001199119438 774042640 /nfs/dbraw/zinc/04/26/40/774042640.db2.gz FCTZPAPZAQMUOU-BRWVUGGUSA-N 2 1 315.417 0.474 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCF)C1 ZINC001200722563 774398604 /nfs/dbraw/zinc/39/86/04/774398604.db2.gz ZTUGAMUHVWYQBX-CABCVRRESA-N 2 1 311.401 0.261 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCF)C1 ZINC001200722563 774398607 /nfs/dbraw/zinc/39/86/07/774398607.db2.gz ZTUGAMUHVWYQBX-CABCVRRESA-N 2 1 311.401 0.261 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001219746584 774596765 /nfs/dbraw/zinc/59/67/65/774596765.db2.gz WOSWMJICYDJQSN-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001219746584 774596770 /nfs/dbraw/zinc/59/67/70/774596770.db2.gz WOSWMJICYDJQSN-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001219746584 774596776 /nfs/dbraw/zinc/59/67/76/774596776.db2.gz WOSWMJICYDJQSN-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001202165301 774610783 /nfs/dbraw/zinc/61/07/83/774610783.db2.gz XNDDNDKFJHJVMX-MRXNPFEDSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001202165301 774610788 /nfs/dbraw/zinc/61/07/88/774610788.db2.gz XNDDNDKFJHJVMX-MRXNPFEDSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202504645 774772448 /nfs/dbraw/zinc/77/24/48/774772448.db2.gz VEDNMIHCLOWSAK-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359275 774782260 /nfs/dbraw/zinc/78/22/60/774782260.db2.gz HMBMRSKNWJNOAU-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359275 774782265 /nfs/dbraw/zinc/78/22/65/774782265.db2.gz HMBMRSKNWJNOAU-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359275 774782269 /nfs/dbraw/zinc/78/22/69/774782269.db2.gz HMBMRSKNWJNOAU-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001114465504 774884690 /nfs/dbraw/zinc/88/46/90/774884690.db2.gz HUBGNSWXPCPYMA-QXSJWSMHSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001114465504 774884700 /nfs/dbraw/zinc/88/47/00/774884700.db2.gz HUBGNSWXPCPYMA-QXSJWSMHSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001114465504 774884709 /nfs/dbraw/zinc/88/47/09/774884709.db2.gz HUBGNSWXPCPYMA-QXSJWSMHSA-N 2 1 305.422 0.167 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152101 775545138 /nfs/dbraw/zinc/54/51/38/775545138.db2.gz ORYPLMAXUKSTQK-OAGGEKHMSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152101 775545145 /nfs/dbraw/zinc/54/51/45/775545145.db2.gz ORYPLMAXUKSTQK-OAGGEKHMSA-N 2 1 305.422 0.454 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114795215 776134912 /nfs/dbraw/zinc/13/49/12/776134912.db2.gz YEGNMMOYISBAOX-FXUDXRNXSA-N 2 1 307.438 0.269 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001229186721 776167822 /nfs/dbraw/zinc/16/78/22/776167822.db2.gz YRZLUZPKPNOUGQ-HIFRSBDPSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001229186721 776167826 /nfs/dbraw/zinc/16/78/26/776167826.db2.gz YRZLUZPKPNOUGQ-HIFRSBDPSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229895499 776235827 /nfs/dbraw/zinc/23/58/27/776235827.db2.gz LGHWYMGEMIGSJW-UHFFFAOYSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001229895499 776235830 /nfs/dbraw/zinc/23/58/30/776235830.db2.gz LGHWYMGEMIGSJW-UHFFFAOYSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167166 777104392 /nfs/dbraw/zinc/10/43/92/777104392.db2.gz KFJMOFLHVBVTPP-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167166 777104399 /nfs/dbraw/zinc/10/43/99/777104399.db2.gz KFJMOFLHVBVTPP-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167166 777104405 /nfs/dbraw/zinc/10/44/05/777104405.db2.gz KFJMOFLHVBVTPP-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167166 777104412 /nfs/dbraw/zinc/10/44/12/777104412.db2.gz KFJMOFLHVBVTPP-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001273030129 945209678 /nfs/dbraw/zinc/20/96/78/945209678.db2.gz LPLJOAKLMPRVMQ-QGZVFWFLSA-N 2 1 307.438 0.723 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266415387 939110848 /nfs/dbraw/zinc/11/08/48/939110848.db2.gz UPOUPHBBYWJIDR-HUUCEWRRSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001266481281 939130673 /nfs/dbraw/zinc/13/06/73/939130673.db2.gz NJGGQNXGUQYHDG-XHSDSOJGSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266481281 939130676 /nfs/dbraw/zinc/13/06/76/939130676.db2.gz NJGGQNXGUQYHDG-XHSDSOJGSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001266481281 939130680 /nfs/dbraw/zinc/13/06/80/939130680.db2.gz NJGGQNXGUQYHDG-XHSDSOJGSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001266481281 939130682 /nfs/dbraw/zinc/13/06/82/939130682.db2.gz NJGGQNXGUQYHDG-XHSDSOJGSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266525693 939151776 /nfs/dbraw/zinc/15/17/76/939151776.db2.gz LNYINDJOYBIINS-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266525693 939151778 /nfs/dbraw/zinc/15/17/78/939151778.db2.gz LNYINDJOYBIINS-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266525693 939151780 /nfs/dbraw/zinc/15/17/80/939151780.db2.gz LNYINDJOYBIINS-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001279490305 939220525 /nfs/dbraw/zinc/22/05/25/939220525.db2.gz LXXFVYKPFYSYIC-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001279490305 939220528 /nfs/dbraw/zinc/22/05/28/939220528.db2.gz LXXFVYKPFYSYIC-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001279490305 939220529 /nfs/dbraw/zinc/22/05/29/939220529.db2.gz LXXFVYKPFYSYIC-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267113243 939347933 /nfs/dbraw/zinc/34/79/33/939347933.db2.gz HCICAPWWCUBXJM-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267113243 939347938 /nfs/dbraw/zinc/34/79/38/939347938.db2.gz HCICAPWWCUBXJM-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001267132672 939354183 /nfs/dbraw/zinc/35/41/83/939354183.db2.gz RBNRWTVENOVLHR-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001267132672 939354188 /nfs/dbraw/zinc/35/41/88/939354188.db2.gz RBNRWTVENOVLHR-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CCN1C[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001273100978 945251874 /nfs/dbraw/zinc/25/18/74/945251874.db2.gz JSQCNHNKWCRHRY-GOSISDBHSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055349 939542548 /nfs/dbraw/zinc/54/25/48/939542548.db2.gz DJTNMXCLWURHLJ-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001267606057 939561662 /nfs/dbraw/zinc/56/16/62/939561662.db2.gz MHKNMYNXYMUABV-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001481127004 939575276 /nfs/dbraw/zinc/57/52/76/939575276.db2.gz OKZLLOFACMSWDQ-LSDHHAIUSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001481127004 939575279 /nfs/dbraw/zinc/57/52/79/939575279.db2.gz OKZLLOFACMSWDQ-LSDHHAIUSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001481127004 939575280 /nfs/dbraw/zinc/57/52/80/939575280.db2.gz OKZLLOFACMSWDQ-LSDHHAIUSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267668794 939619148 /nfs/dbraw/zinc/61/91/48/939619148.db2.gz CEMNZUYYSNNPKX-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267668794 939619150 /nfs/dbraw/zinc/61/91/50/939619150.db2.gz CEMNZUYYSNNPKX-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267668794 939619151 /nfs/dbraw/zinc/61/91/51/939619151.db2.gz CEMNZUYYSNNPKX-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F ZINC001283763652 939648585 /nfs/dbraw/zinc/64/85/85/939648585.db2.gz IKFYHFIOGNADRX-RYUDHWBXSA-N 2 1 321.343 0.103 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F ZINC001283763652 939648587 /nfs/dbraw/zinc/64/85/87/939648587.db2.gz IKFYHFIOGNADRX-RYUDHWBXSA-N 2 1 321.343 0.103 20 30 DCEDMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267789112 939682806 /nfs/dbraw/zinc/68/28/06/939682806.db2.gz FXBXKBSVMRKFLU-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267789112 939682807 /nfs/dbraw/zinc/68/28/07/939682807.db2.gz FXBXKBSVMRKFLU-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267790149 939683123 /nfs/dbraw/zinc/68/31/23/939683123.db2.gz LBGZLUBBBWRHOR-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267790149 939683124 /nfs/dbraw/zinc/68/31/24/939683124.db2.gz LBGZLUBBBWRHOR-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001481489842 939900559 /nfs/dbraw/zinc/90/05/59/939900559.db2.gz ZZSBPMYTNOATEE-JKSUJKDBSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481658829 940018723 /nfs/dbraw/zinc/01/87/23/940018723.db2.gz RVGJAOVSSKNPHG-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCC1CCCC1 ZINC001268308156 940043305 /nfs/dbraw/zinc/04/33/05/940043305.db2.gz KNOZFRDTUKPYBO-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCC1CCCC1 ZINC001268308156 940043309 /nfs/dbraw/zinc/04/33/09/940043309.db2.gz KNOZFRDTUKPYBO-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268307533 940046541 /nfs/dbraw/zinc/04/65/41/940046541.db2.gz HGGNUZSSEBZNGC-CVEARBPZSA-N 2 1 307.438 0.483 20 30 DCEDMP C=CCN1CC[C@H](N2CC[C@@H](NC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001481708451 940064912 /nfs/dbraw/zinc/06/49/12/940064912.db2.gz SDGRYQOSABLFLY-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H](NC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001481708451 940064916 /nfs/dbraw/zinc/06/49/16/940064916.db2.gz SDGRYQOSABLFLY-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+](C)CCC)C2)C1=O ZINC001481708451 940064920 /nfs/dbraw/zinc/06/49/20/940064920.db2.gz SDGRYQOSABLFLY-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C[NH+](C)CCC)C2)C1=O ZINC001481708451 940064923 /nfs/dbraw/zinc/06/49/23/940064923.db2.gz SDGRYQOSABLFLY-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#CCOC)C2)CC1 ZINC001481710069 940070202 /nfs/dbraw/zinc/07/02/02/940070202.db2.gz VARZIGLISGMVMS-QGZVFWFLSA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CCOC)C2)CC1 ZINC001481710069 940070205 /nfs/dbraw/zinc/07/02/05/940070205.db2.gz VARZIGLISGMVMS-QGZVFWFLSA-N 2 1 317.433 0.172 20 30 DCEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268364133 940081956 /nfs/dbraw/zinc/08/19/56/940081956.db2.gz BELNJBOGABJHQA-LSDHHAIUSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001482027383 940210142 /nfs/dbraw/zinc/21/01/42/940210142.db2.gz BHBAPCDUYGWJRO-SHTZXODSSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC[C@H](C)O)C2)CC1 ZINC001269200540 940645232 /nfs/dbraw/zinc/64/52/32/940645232.db2.gz XZLIHTFXKFUDBZ-DOTOQJQBSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCCC1 ZINC001269585346 940736620 /nfs/dbraw/zinc/73/66/20/940736620.db2.gz WYIHPBDWLVEZKC-UHFFFAOYSA-N 2 1 307.438 0.751 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270436683 940901038 /nfs/dbraw/zinc/90/10/38/940901038.db2.gz QUFPJDROAWVNAD-KGLIPLIRSA-N 2 1 310.442 0.115 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001270825485 941002997 /nfs/dbraw/zinc/00/29/97/941002997.db2.gz BUQRQOMENDDCQI-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001270825485 941003002 /nfs/dbraw/zinc/00/30/02/941003002.db2.gz BUQRQOMENDDCQI-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001496908224 942328721 /nfs/dbraw/zinc/32/87/21/942328721.db2.gz LZTWMPYKXQCACG-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001127066288 942424103 /nfs/dbraw/zinc/42/41/03/942424103.db2.gz LENQKCYVRAHGMF-LSDHHAIUSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083669038 942450067 /nfs/dbraw/zinc/45/00/67/942450067.db2.gz QYVFJFCCMIWUTN-PMPSAXMXSA-N 2 1 305.422 0.045 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083669038 942450068 /nfs/dbraw/zinc/45/00/68/942450068.db2.gz QYVFJFCCMIWUTN-PMPSAXMXSA-N 2 1 305.422 0.045 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCOCC1 ZINC001484181510 943176147 /nfs/dbraw/zinc/17/61/47/943176147.db2.gz DJGRAGPNURMMFE-JKSUJKDBSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001484350229 943331018 /nfs/dbraw/zinc/33/10/18/943331018.db2.gz GHNGALURUAXYJA-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001485571985 944001665 /nfs/dbraw/zinc/00/16/65/944001665.db2.gz QDVUEKVUKNPAGU-HNNXBMFYSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001485571985 944001671 /nfs/dbraw/zinc/00/16/71/944001671.db2.gz QDVUEKVUKNPAGU-HNNXBMFYSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnc(C)nc1 ZINC001491486457 944037118 /nfs/dbraw/zinc/03/71/18/944037118.db2.gz IRPBZKRXJSSMOS-CJNGLKHVSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnc(C)nc1 ZINC001491486457 944037128 /nfs/dbraw/zinc/03/71/28/944037128.db2.gz IRPBZKRXJSSMOS-CJNGLKHVSA-N 2 1 315.421 0.477 20 30 DCEDMP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001276800736 944302676 /nfs/dbraw/zinc/30/26/76/944302676.db2.gz MDDBFUAUBTYMLJ-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485997796 944472017 /nfs/dbraw/zinc/47/20/17/944472017.db2.gz RQYKHODUADNXSK-JKSUJKDBSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CCCC[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001276978695 944615146 /nfs/dbraw/zinc/61/51/46/944615146.db2.gz PUFAQXSWVAKIHK-LSDHHAIUSA-N 2 1 318.421 0.297 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=C)C)CC1 ZINC001486359249 944821527 /nfs/dbraw/zinc/82/15/27/944821527.db2.gz SODZHIDZSUBUDT-QGZVFWFLSA-N 2 1 321.465 0.659 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCOC)C1 ZINC001317149077 944825485 /nfs/dbraw/zinc/82/54/85/944825485.db2.gz GWLIFHQNRMXKTB-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCOC)C1 ZINC001317149077 944825493 /nfs/dbraw/zinc/82/54/93/944825493.db2.gz GWLIFHQNRMXKTB-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317178590 944838573 /nfs/dbraw/zinc/83/85/73/944838573.db2.gz CEAVEXZJYGBOGQ-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001277779699 944974978 /nfs/dbraw/zinc/97/49/78/944974978.db2.gz ORKLSLDFOZEHKI-LSDHHAIUSA-N 2 1 320.437 0.850 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001317511998 945011968 /nfs/dbraw/zinc/01/19/68/945011968.db2.gz GWZODNWVPAPFNO-OAHLLOKOSA-N 2 1 305.422 0.313 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001317511998 945011979 /nfs/dbraw/zinc/01/19/79/945011979.db2.gz GWZODNWVPAPFNO-OAHLLOKOSA-N 2 1 305.422 0.313 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001317525925 945025992 /nfs/dbraw/zinc/02/59/92/945025992.db2.gz GTYQNIOLDJOGEJ-OAHLLOKOSA-N 2 1 304.394 0.279 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001317525925 945026001 /nfs/dbraw/zinc/02/60/01/945026001.db2.gz GTYQNIOLDJOGEJ-OAHLLOKOSA-N 2 1 304.394 0.279 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001320068492 945731202 /nfs/dbraw/zinc/73/12/02/945731202.db2.gz JKUYVHROJQDLMH-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001320068492 945731209 /nfs/dbraw/zinc/73/12/09/945731209.db2.gz JKUYVHROJQDLMH-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320068492 945731218 /nfs/dbraw/zinc/73/12/18/945731218.db2.gz JKUYVHROJQDLMH-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320068492 945731228 /nfs/dbraw/zinc/73/12/28/945731228.db2.gz JKUYVHROJQDLMH-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCC[C@H](C)O)CC1 ZINC001320090633 945738912 /nfs/dbraw/zinc/73/89/12/945738912.db2.gz NPBMHYSPFRUFGY-INIZCTEOSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001278755858 946220329 /nfs/dbraw/zinc/22/03/29/946220329.db2.gz IMGOLDCHHOFVFY-ZIAGYGMSSA-N 2 1 306.410 0.439 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278777358 946362186 /nfs/dbraw/zinc/36/21/86/946362186.db2.gz YRNBONUBCHVTQP-WBVHZDCISA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278777358 946362194 /nfs/dbraw/zinc/36/21/94/946362194.db2.gz YRNBONUBCHVTQP-WBVHZDCISA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001278777358 946362204 /nfs/dbraw/zinc/36/22/04/946362204.db2.gz YRNBONUBCHVTQP-WBVHZDCISA-N 2 1 307.438 0.436 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001278798613 946415809 /nfs/dbraw/zinc/41/58/09/946415809.db2.gz QORHNXYHPQDBQY-ZBFHGGJFSA-N 2 1 320.437 0.739 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001278860219 946490868 /nfs/dbraw/zinc/49/08/68/946490868.db2.gz RECYCJMNUKYXPJ-IRXDYDNUSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001278860219 946490874 /nfs/dbraw/zinc/49/08/74/946490874.db2.gz RECYCJMNUKYXPJ-IRXDYDNUSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001278860219 946490880 /nfs/dbraw/zinc/49/08/80/946490880.db2.gz RECYCJMNUKYXPJ-IRXDYDNUSA-N 2 1 321.465 0.778 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001323472248 947096216 /nfs/dbraw/zinc/09/62/16/947096216.db2.gz KWFOIPMNJKBYCC-CYBMUJFWSA-N 2 1 308.426 0.011 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001323747074 947188912 /nfs/dbraw/zinc/18/89/12/947188912.db2.gz WZKDXPBHOJDIKX-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001324263380 947369157 /nfs/dbraw/zinc/36/91/57/947369157.db2.gz LEQOJGIWRUSLMW-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001324263378 947370303 /nfs/dbraw/zinc/37/03/03/947370303.db2.gz LEQOJGIWRUSLMW-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCO)CC1 ZINC001324432433 947425883 /nfs/dbraw/zinc/42/58/83/947425883.db2.gz VHVRXRRZMCXUGB-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001324740060 947520806 /nfs/dbraw/zinc/52/08/06/947520806.db2.gz FRAZOXWFWRELKK-FUHWJXTLSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001324740060 947520818 /nfs/dbraw/zinc/52/08/18/947520818.db2.gz FRAZOXWFWRELKK-FUHWJXTLSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCO)CC1 ZINC001324870182 947559082 /nfs/dbraw/zinc/55/90/82/947559082.db2.gz VYBFOWFJEQHUFU-INIZCTEOSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCO)CC1 ZINC001324870182 947559096 /nfs/dbraw/zinc/55/90/96/947559096.db2.gz VYBFOWFJEQHUFU-INIZCTEOSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCN1CC[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001273728448 948050797 /nfs/dbraw/zinc/05/07/97/948050797.db2.gz NWMMDVDMMYSGNE-SFHVURJKSA-N 2 1 320.481 0.734 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001326912840 948327500 /nfs/dbraw/zinc/32/75/00/948327500.db2.gz ABRVANNLORJGKO-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001327577226 948558108 /nfs/dbraw/zinc/55/81/08/948558108.db2.gz LLPFYQLDSFOSEF-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001328155721 948725059 /nfs/dbraw/zinc/72/50/59/948725059.db2.gz LQQGFRVISSBNPU-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001328173089 948731367 /nfs/dbraw/zinc/73/13/67/948731367.db2.gz YWPCLBJVOHUDBR-UHFFFAOYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001264027061 948841352 /nfs/dbraw/zinc/84/13/52/948841352.db2.gz UGRJHQYLZGTZOD-CYBMUJFWSA-N 2 1 319.409 0.558 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264079888 948870927 /nfs/dbraw/zinc/87/09/27/948870927.db2.gz AUVGDJAZIYCNFP-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC001328400871 948880069 /nfs/dbraw/zinc/88/00/69/948880069.db2.gz MTRVTOBCZZPFKQ-MRXNPFEDSA-N 2 1 316.405 0.933 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265104489 949307450 /nfs/dbraw/zinc/30/74/50/949307450.db2.gz UOSNDIYLABHOOZ-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001265104489 949307474 /nfs/dbraw/zinc/30/74/74/949307474.db2.gz UOSNDIYLABHOOZ-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001265104489 949307498 /nfs/dbraw/zinc/30/74/98/949307498.db2.gz UOSNDIYLABHOOZ-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265386540 949647527 /nfs/dbraw/zinc/64/75/27/949647527.db2.gz IEHNSWFTRSTVDG-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265386540 949647539 /nfs/dbraw/zinc/64/75/39/949647539.db2.gz IEHNSWFTRSTVDG-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265386540 949647550 /nfs/dbraw/zinc/64/75/50/949647550.db2.gz IEHNSWFTRSTVDG-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265386540 949647562 /nfs/dbraw/zinc/64/75/62/949647562.db2.gz IEHNSWFTRSTVDG-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)C1=O ZINC001489288544 949667399 /nfs/dbraw/zinc/66/73/99/949667399.db2.gz HEOKSTVSRHESDR-ILXRZTDVSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490233309 950439827 /nfs/dbraw/zinc/43/98/27/950439827.db2.gz MAUJTSTVBGJQIN-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001490233309 950439840 /nfs/dbraw/zinc/43/98/40/950439840.db2.gz MAUJTSTVBGJQIN-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001490233309 950439850 /nfs/dbraw/zinc/43/98/50/950439850.db2.gz MAUJTSTVBGJQIN-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+](C[C@@H](O)C1CC1)C1CCN(C[C@H](O)C2CC2)CC1 ZINC001330708616 950599930 /nfs/dbraw/zinc/59/99/30/950599930.db2.gz RKVIWUFPESHROE-ZWKOTPCHSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@@H+](C[C@@H](O)C1CC1)C1CCN(C[C@H](O)C2CC2)CC1 ZINC001330708616 950599943 /nfs/dbraw/zinc/59/99/43/950599943.db2.gz RKVIWUFPESHROE-ZWKOTPCHSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@@H+](C[C@@H](O)C1CC1)C1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC001330708616 950599958 /nfs/dbraw/zinc/59/99/58/950599958.db2.gz RKVIWUFPESHROE-ZWKOTPCHSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@H+](C[C@@H](O)C1CC1)C1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC001330708616 950599977 /nfs/dbraw/zinc/59/99/77/950599977.db2.gz RKVIWUFPESHROE-ZWKOTPCHSA-N 2 1 306.450 0.928 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001490704147 951017639 /nfs/dbraw/zinc/01/76/39/951017639.db2.gz HRZXLIXREQPSMV-HNNXBMFYSA-N 2 1 304.394 0.326 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001281637834 951571403 /nfs/dbraw/zinc/57/14/03/951571403.db2.gz YUOHDOWQLFFQHB-HNNXBMFYSA-N 2 1 307.438 0.295 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332437876 951647845 /nfs/dbraw/zinc/64/78/45/951647845.db2.gz OAPKISXGUYQPOV-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001274572268 951706891 /nfs/dbraw/zinc/70/68/91/951706891.db2.gz JTKDXHXWJSONJF-UHFFFAOYSA-N 2 1 309.454 0.685 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001275273346 952041887 /nfs/dbraw/zinc/04/18/87/952041887.db2.gz BXRXKIPUXIAKKR-KKUMJFAQSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001275929007 952533895 /nfs/dbraw/zinc/53/38/95/952533895.db2.gz WHGMWHDSZRVQIR-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275929007 952533899 /nfs/dbraw/zinc/53/38/99/952533899.db2.gz WHGMWHDSZRVQIR-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001275929007 952533905 /nfs/dbraw/zinc/53/39/05/952533905.db2.gz WHGMWHDSZRVQIR-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001275929007 952533907 /nfs/dbraw/zinc/53/39/07/952533907.db2.gz WHGMWHDSZRVQIR-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CCNC(=O)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335899805 952617114 /nfs/dbraw/zinc/61/71/14/952617114.db2.gz ZOPVGVHCHZGTCA-SFHVURJKSA-N 2 1 315.417 0.353 20 30 DCEDMP C#CCNC(=O)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335899805 952617121 /nfs/dbraw/zinc/61/71/21/952617121.db2.gz ZOPVGVHCHZGTCA-SFHVURJKSA-N 2 1 315.417 0.353 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001276050625 952874205 /nfs/dbraw/zinc/87/42/05/952874205.db2.gz IIAHKFMBQIUFQA-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001276050625 952874208 /nfs/dbraw/zinc/87/42/08/952874208.db2.gz IIAHKFMBQIUFQA-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001282725155 953662986 /nfs/dbraw/zinc/66/29/86/953662986.db2.gz MNTLVRPKJDIWAQ-CQSZACIVSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001283832312 954643932 /nfs/dbraw/zinc/64/39/32/954643932.db2.gz TVRULWJQWKMKAT-MRXNPFEDSA-N 2 1 303.406 0.208 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001283832312 954643937 /nfs/dbraw/zinc/64/39/37/954643937.db2.gz TVRULWJQWKMKAT-MRXNPFEDSA-N 2 1 303.406 0.208 20 30 DCEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001349823545 954898231 /nfs/dbraw/zinc/89/82/31/954898231.db2.gz NBWBYWMXVRTOTC-AWEZNQCLSA-N 2 1 318.425 0.916 20 30 DCEDMP C#CCN1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)C1 ZINC001354233809 956321266 /nfs/dbraw/zinc/32/12/66/956321266.db2.gz LRACHDGYTISBHI-QKPAOTATSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C1 ZINC001354233809 956321278 /nfs/dbraw/zinc/32/12/78/956321278.db2.gz LRACHDGYTISBHI-QKPAOTATSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)C1 ZINC001354233809 956321292 /nfs/dbraw/zinc/32/12/92/956321292.db2.gz LRACHDGYTISBHI-QKPAOTATSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@@H]23)C1 ZINC001354233809 956321305 /nfs/dbraw/zinc/32/13/05/956321305.db2.gz LRACHDGYTISBHI-QKPAOTATSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@@H]23)C1 ZINC001354233809 956321321 /nfs/dbraw/zinc/32/13/21/956321321.db2.gz LRACHDGYTISBHI-QKPAOTATSA-N 2 1 304.438 0.723 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001358537719 957487218 /nfs/dbraw/zinc/48/72/18/957487218.db2.gz AMOXUVXAZVABMB-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001358537719 957487222 /nfs/dbraw/zinc/48/72/22/957487222.db2.gz AMOXUVXAZVABMB-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001491857509 959313450 /nfs/dbraw/zinc/31/34/50/959313450.db2.gz TYLGGFUSYDWBTG-OAHLLOKOSA-N 2 1 306.410 0.832 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCCO)C2)CC1 ZINC001491965801 959452564 /nfs/dbraw/zinc/45/25/64/959452564.db2.gz UAPVJXHQDJHNEA-QGZVFWFLSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001316750457 960311503 /nfs/dbraw/zinc/31/15/03/960311503.db2.gz RXEYDNQTJHTCGO-JKSUJKDBSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001316750457 960311513 /nfs/dbraw/zinc/31/15/13/960311513.db2.gz RXEYDNQTJHTCGO-JKSUJKDBSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001316750457 960311526 /nfs/dbraw/zinc/31/15/26/960311526.db2.gz RXEYDNQTJHTCGO-JKSUJKDBSA-N 2 1 307.438 0.389 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001369383182 964863646 /nfs/dbraw/zinc/86/36/46/964863646.db2.gz MOJNEXHNYHNZLU-HZPDHXFCSA-N 2 1 316.405 0.077 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001370284323 965961220 /nfs/dbraw/zinc/96/12/20/965961220.db2.gz UVTNEZBHSTYCFR-KGLIPLIRSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001370284323 965961230 /nfs/dbraw/zinc/96/12/30/965961230.db2.gz UVTNEZBHSTYCFR-KGLIPLIRSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001448818271 1014055372 /nfs/dbraw/zinc/05/53/72/1014055372.db2.gz BQVQZDLZNIIYEZ-FRRDWIJNSA-N 2 1 303.834 0.536 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001448818271 1014055376 /nfs/dbraw/zinc/05/53/76/1014055376.db2.gz BQVQZDLZNIIYEZ-FRRDWIJNSA-N 2 1 303.834 0.536 20 30 DCEDMP C=C(Cl)CN(CC)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001399815358 993804701 /nfs/dbraw/zinc/80/47/01/993804701.db2.gz GWWWMHOTZMYRAR-CYBMUJFWSA-N 2 1 303.834 0.898 20 30 DCEDMP C=C(Cl)CN(CC)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001399815358 993804711 /nfs/dbraw/zinc/80/47/11/993804711.db2.gz GWWWMHOTZMYRAR-CYBMUJFWSA-N 2 1 303.834 0.898 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001502567594 1015974283 /nfs/dbraw/zinc/97/42/83/1015974283.db2.gz HPHPZCKJPGTANH-RDJZCZTQSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001423247284 1011014945 /nfs/dbraw/zinc/01/49/45/1011014945.db2.gz BXACRCBJAZUCIF-RWMBFGLXSA-N 2 1 303.834 0.536 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001423247284 1011014942 /nfs/dbraw/zinc/01/49/42/1011014942.db2.gz BXACRCBJAZUCIF-RWMBFGLXSA-N 2 1 303.834 0.536 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001506993055 1017742429 /nfs/dbraw/zinc/74/24/29/1017742429.db2.gz BLVJANAOOPVEDM-HNNXBMFYSA-N 2 1 318.421 0.500 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001494657651 1017922707 /nfs/dbraw/zinc/92/27/07/1017922707.db2.gz FVFMRVBOTQLNSS-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001494657651 1017922715 /nfs/dbraw/zinc/92/27/15/1017922715.db2.gz FVFMRVBOTQLNSS-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001494657651 1017922734 /nfs/dbraw/zinc/92/27/34/1017922734.db2.gz FVFMRVBOTQLNSS-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001494657651 1017922748 /nfs/dbraw/zinc/92/27/48/1017922748.db2.gz FVFMRVBOTQLNSS-JYJNAYRXSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001499539021 1017964673 /nfs/dbraw/zinc/96/46/73/1017964673.db2.gz WZKDXPBHOJDIKX-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500401483 1018440032 /nfs/dbraw/zinc/44/00/32/1018440032.db2.gz FYDCRDCBUAQAGP-DOTOQJQBSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOC ZINC001480351018 1018458260 /nfs/dbraw/zinc/45/82/60/1018458260.db2.gz HANRFDPHNDJGFQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOC ZINC001480351018 1018458269 /nfs/dbraw/zinc/45/82/69/1018458269.db2.gz HANRFDPHNDJGFQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983785 1018561429 /nfs/dbraw/zinc/56/14/29/1018561429.db2.gz MAHGXXBHTOSCNR-MNOVXSKESA-N 2 1 304.232 0.941 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001502044115 1019652827 /nfs/dbraw/zinc/65/28/27/1019652827.db2.gz TWJQUCMFNBHGLE-OLZOCXBDSA-N 2 1 301.818 0.650 20 30 DCEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001502101740 1019718363 /nfs/dbraw/zinc/71/83/63/1019718363.db2.gz IDDVOCCMXKDZSH-QGZVFWFLSA-N 2 1 320.481 0.568 20 30 DCEDMP C=CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001494092471 1019979154 /nfs/dbraw/zinc/97/91/54/1019979154.db2.gz OFJZGRIJCCAVTI-DLBZAZTESA-N 2 1 322.497 0.979 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001661231197 1174108315 /nfs/dbraw/zinc/10/83/15/1174108315.db2.gz GATJELOERDLQCK-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001661231197 1174108320 /nfs/dbraw/zinc/10/83/20/1174108320.db2.gz GATJELOERDLQCK-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001663683684 1174342433 /nfs/dbraw/zinc/34/24/33/1174342433.db2.gz BFGVKQKRFLWSRS-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000491619415 533104309 /nfs/dbraw/zinc/10/43/09/533104309.db2.gz AYCZEJQZKFETBV-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000491619415 533104312 /nfs/dbraw/zinc/10/43/12/533104312.db2.gz AYCZEJQZKFETBV-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000491619415 533104314 /nfs/dbraw/zinc/10/43/14/533104314.db2.gz AYCZEJQZKFETBV-OAHLLOKOSA-N 2 1 310.442 0.352 20 30 DCEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000066497957 396009338 /nfs/dbraw/zinc/00/93/38/396009338.db2.gz WGTBUFGOOXPJTE-OKILXGFUSA-N 2 1 308.426 0.447 20 30 DCEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000066497957 396009340 /nfs/dbraw/zinc/00/93/40/396009340.db2.gz WGTBUFGOOXPJTE-OKILXGFUSA-N 2 1 308.426 0.447 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000601317425 397053325 /nfs/dbraw/zinc/05/33/25/397053325.db2.gz LFOCSXKSZAULJV-HNNXBMFYSA-N 2 1 309.458 0.182 20 30 DCEDMP C=C[C@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000620591756 397288567 /nfs/dbraw/zinc/28/85/67/397288567.db2.gz MVWJKSXQJHHLCM-OAHLLOKOSA-N 2 1 309.454 0.846 20 30 DCEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000602538244 397434434 /nfs/dbraw/zinc/43/44/34/397434434.db2.gz BMPRXVBPNCUFQU-HNNXBMFYSA-N 2 1 322.453 0.839 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736839 397436356 /nfs/dbraw/zinc/43/63/56/397436356.db2.gz MUVQAWDDVMTROG-MJBXVCDLSA-N 2 1 324.425 0.217 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000347063313 416211269 /nfs/dbraw/zinc/21/12/69/416211269.db2.gz DMGQTFBLUHDTKR-HNNXBMFYSA-N 2 1 310.442 0.657 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000491674672 416613558 /nfs/dbraw/zinc/61/35/58/416613558.db2.gz XOKTUFGZDLFVGZ-DLBZAZTESA-N 2 1 314.433 0.996 20 30 DCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621372446 417284014 /nfs/dbraw/zinc/28/40/14/417284014.db2.gz VVLWXLNEHLPWND-XMTFNYHQSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621372446 417284022 /nfs/dbraw/zinc/28/40/22/417284022.db2.gz VVLWXLNEHLPWND-XMTFNYHQSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621372446 417284027 /nfs/dbraw/zinc/28/40/27/417284027.db2.gz VVLWXLNEHLPWND-XMTFNYHQSA-N 2 1 308.466 0.890 20 30 DCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000576747689 417631978 /nfs/dbraw/zinc/63/19/78/417631978.db2.gz BCYJUUOBPGTQEG-OAHLLOKOSA-N 2 1 323.397 0.782 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652349561 417889279 /nfs/dbraw/zinc/88/92/79/417889279.db2.gz SNMPVNRBVGYLMF-XUWVNRHRSA-N 2 1 307.438 0.992 20 30 DCEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CN(C)CCC#N)CCCO1 ZINC000583079770 337236745 /nfs/dbraw/zinc/23/67/45/337236745.db2.gz KYFRUQHMTGBKAE-CVEARBPZSA-N 2 1 312.458 0.283 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)C[C@@H](C)O)CC1 ZINC001567432244 1160364011 /nfs/dbraw/zinc/36/40/11/1160364011.db2.gz AJHNWLSFCYRIDG-OAHLLOKOSA-N 2 1 309.454 0.541 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001567721023 1160464175 /nfs/dbraw/zinc/46/41/75/1160464175.db2.gz SIVIWTTVKSWMKN-MRXNPFEDSA-N 2 1 306.454 0.037 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001567721023 1160464178 /nfs/dbraw/zinc/46/41/78/1160464178.db2.gz SIVIWTTVKSWMKN-MRXNPFEDSA-N 2 1 306.454 0.037 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001570216806 1161496859 /nfs/dbraw/zinc/49/68/59/1161496859.db2.gz KRPZRLLCJXZHRS-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001570290831 1161544480 /nfs/dbraw/zinc/54/44/80/1161544480.db2.gz FGIHFOGQQQCJNY-GOSISDBHSA-N 2 1 323.481 0.931 20 30 DCEDMP COc1ccccc1CNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000170907048 534075203 /nfs/dbraw/zinc/07/52/03/534075203.db2.gz XKYZPLBIAKREPS-UHFFFAOYSA-N 2 1 319.453 0.737 20 30 DCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)NC[C@H]1CCCS1 ZINC000261963390 526356414 /nfs/dbraw/zinc/35/64/14/526356414.db2.gz KUORGQAXRGXLMV-CQSZACIVSA-N 2 1 313.515 0.685 20 30 DCEDMP C=CCNC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264137480 526388054 /nfs/dbraw/zinc/38/80/54/526388054.db2.gz VOJJSJUZIUHPBR-UHFFFAOYSA-N 2 1 315.421 0.665 20 30 DCEDMP C[NH+]=C(NCc1cnn(C)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179079830 526388623 /nfs/dbraw/zinc/38/86/23/526388623.db2.gz GWYURIUTFJDDHY-CQSZACIVSA-N 2 1 320.441 0.150 20 30 DCEDMP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261946679 526392006 /nfs/dbraw/zinc/39/20/06/526392006.db2.gz GBFZSCFMZKVUJM-ZWNOBZJWSA-N 2 1 305.430 0.271 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000376699236 526723624 /nfs/dbraw/zinc/72/36/24/526723624.db2.gz HEMXRWAQDIFZRU-MRXNPFEDSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000376699236 526723629 /nfs/dbraw/zinc/72/36/29/526723629.db2.gz HEMXRWAQDIFZRU-MRXNPFEDSA-N 2 1 307.438 0.700 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000170907996 528015086 /nfs/dbraw/zinc/01/50/86/528015086.db2.gz RWMGRNLKGHEQCD-CYBMUJFWSA-N 2 1 300.472 0.707 20 30 DCEDMP CCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267416793 528942521 /nfs/dbraw/zinc/94/25/21/528942521.db2.gz JKGAIEKPWVRXEY-HNNXBMFYSA-N 2 1 317.437 0.808 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C(N)=O)c1 ZINC000264311778 529100673 /nfs/dbraw/zinc/10/06/73/529100673.db2.gz VCAOCLMXZQJIEL-HNNXBMFYSA-N 2 1 317.437 0.717 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000668835854 546856985 /nfs/dbraw/zinc/85/69/85/546856985.db2.gz KZURMNMHYDQBRR-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001672495429 1175116229 /nfs/dbraw/zinc/11/62/29/1175116229.db2.gz KFACMEHJMFRFGH-SFHVURJKSA-N 2 1 323.481 0.931 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001672495429 1175116232 /nfs/dbraw/zinc/11/62/32/1175116232.db2.gz KFACMEHJMFRFGH-SFHVURJKSA-N 2 1 323.481 0.931 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001672495429 1175116236 /nfs/dbraw/zinc/11/62/36/1175116236.db2.gz KFACMEHJMFRFGH-SFHVURJKSA-N 2 1 323.481 0.931 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001673434147 1175202354 /nfs/dbraw/zinc/20/23/54/1175202354.db2.gz GNWLJMHJUJDPKI-HZPDHXFCSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001673434147 1175202359 /nfs/dbraw/zinc/20/23/59/1175202359.db2.gz GNWLJMHJUJDPKI-HZPDHXFCSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001673434147 1175202366 /nfs/dbraw/zinc/20/23/66/1175202366.db2.gz GNWLJMHJUJDPKI-HZPDHXFCSA-N 2 1 309.454 0.757 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001675727029 1175388030 /nfs/dbraw/zinc/38/80/30/1175388030.db2.gz RIROWOLPACLKPR-RBSFLKMASA-N 2 1 311.426 0.004 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001027611032 660525243 /nfs/dbraw/zinc/52/52/43/660525243.db2.gz PCLLOVIYBSJKLF-MRXNPFEDSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)CC1 ZINC001027693550 660626134 /nfs/dbraw/zinc/62/61/34/660626134.db2.gz FICVJRZWTOVMNE-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 ZINC000979071039 660658186 /nfs/dbraw/zinc/65/81/86/660658186.db2.gz KEENDGPGETWWAN-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979071039 660658187 /nfs/dbraw/zinc/65/81/87/660658187.db2.gz KEENDGPGETWWAN-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979071039 660658188 /nfs/dbraw/zinc/65/81/88/660658188.db2.gz KEENDGPGETWWAN-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979071039 660658190 /nfs/dbraw/zinc/65/81/90/660658190.db2.gz KEENDGPGETWWAN-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979071039 660658191 /nfs/dbraw/zinc/65/81/91/660658191.db2.gz KEENDGPGETWWAN-LVQVYYBASA-N 2 1 305.422 0.024 20 30 DCEDMP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185316 661096684 /nfs/dbraw/zinc/09/66/84/661096684.db2.gz TZDBVTLSCLKRFH-CHWSQXEVSA-N 2 1 304.394 1.000 20 30 DCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645881 661189224 /nfs/dbraw/zinc/18/92/24/661189224.db2.gz GSABAADYNJUMRR-PQUAAJSLSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645881 661189225 /nfs/dbraw/zinc/18/92/25/661189225.db2.gz GSABAADYNJUMRR-PQUAAJSLSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645881 661189228 /nfs/dbraw/zinc/18/92/28/661189228.db2.gz GSABAADYNJUMRR-PQUAAJSLSA-N 2 1 317.433 0.407 20 30 DCEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981784718 661216265 /nfs/dbraw/zinc/21/62/65/661216265.db2.gz PTAOWHVWRYWTHW-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981784718 661216267 /nfs/dbraw/zinc/21/62/67/661216267.db2.gz PTAOWHVWRYWTHW-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841560 661231602 /nfs/dbraw/zinc/23/16/02/661231602.db2.gz GGLRWWWYRDMKAA-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841560 661231604 /nfs/dbraw/zinc/23/16/04/661231604.db2.gz GGLRWWWYRDMKAA-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841560 661231606 /nfs/dbraw/zinc/23/16/06/661231606.db2.gz GGLRWWWYRDMKAA-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841560 661231608 /nfs/dbraw/zinc/23/16/08/661231608.db2.gz GGLRWWWYRDMKAA-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC001022220752 657565854 /nfs/dbraw/zinc/56/58/54/657565854.db2.gz MSVKUGFGNCVRLI-XHSDSOJGSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC001022220752 657565857 /nfs/dbraw/zinc/56/58/57/657565857.db2.gz MSVKUGFGNCVRLI-XHSDSOJGSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001022222220 657571199 /nfs/dbraw/zinc/57/11/99/657571199.db2.gz VSSOLHOKSQRFCT-YVSFHVDLSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001022222220 657571206 /nfs/dbraw/zinc/57/12/06/657571206.db2.gz VSSOLHOKSQRFCT-YVSFHVDLSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522056 657574448 /nfs/dbraw/zinc/57/44/48/657574448.db2.gz GDFMCYFDWIHYQG-OAHLLOKOSA-N 2 1 303.410 0.224 20 30 DCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500422 657935240 /nfs/dbraw/zinc/93/52/40/657935240.db2.gz UFGVSOAWMZSXCI-CTMQZQKCSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@@H+](CC)CCO3)CC1 ZINC000972686641 658242773 /nfs/dbraw/zinc/24/27/73/658242773.db2.gz AYPYKVDEOTYQJL-SFHVURJKSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999145695 665585329 /nfs/dbraw/zinc/58/53/29/665585329.db2.gz PJYTWJDBFYWJGJ-RDVIWEACSA-N 2 1 303.406 0.062 20 30 DCEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295142 658533147 /nfs/dbraw/zinc/53/31/47/658533147.db2.gz QYTSNOQKSSPSEA-WBVHZDCISA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972295142 658533152 /nfs/dbraw/zinc/53/31/52/658533152.db2.gz QYTSNOQKSSPSEA-WBVHZDCISA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnon2)C1 ZINC000999392676 665640252 /nfs/dbraw/zinc/64/02/52/665640252.db2.gz SFRUEIDNPOILSG-ZFWWWQNUSA-N 2 1 317.393 0.248 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001027464814 659546118 /nfs/dbraw/zinc/54/61/18/659546118.db2.gz QQSGLZKXVXIYNC-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]21 ZINC001025814070 659576395 /nfs/dbraw/zinc/57/63/95/659576395.db2.gz NUBFWASYQCVYCH-OWYFMNJBSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)COC)C[C@H]21 ZINC001025814070 659576396 /nfs/dbraw/zinc/57/63/96/659576396.db2.gz NUBFWASYQCVYCH-OWYFMNJBSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)COC)C[C@H]21 ZINC001025814070 659576399 /nfs/dbraw/zinc/57/63/99/659576399.db2.gz NUBFWASYQCVYCH-OWYFMNJBSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)COC)C[C@H]21 ZINC001025814070 659576402 /nfs/dbraw/zinc/57/64/02/659576402.db2.gz NUBFWASYQCVYCH-OWYFMNJBSA-N 2 1 305.422 0.165 20 30 DCEDMP C=CCN1CC(CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001031876013 665723097 /nfs/dbraw/zinc/72/30/97/665723097.db2.gz IEZFKYBODUEGNF-MRXNPFEDSA-N 2 1 307.438 0.721 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174020 661295525 /nfs/dbraw/zinc/29/55/25/661295525.db2.gz BKAJXUFPYVNSRG-CVEARBPZSA-N 2 1 319.449 0.295 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547528 661603429 /nfs/dbraw/zinc/60/34/29/661603429.db2.gz XLGLPIRPCHIUBJ-HNNXBMFYSA-N 2 1 317.437 0.520 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698229 661764727 /nfs/dbraw/zinc/76/47/27/661764727.db2.gz DLHAUUHKUYBMRE-VUGNNNGISA-N 2 1 319.449 0.864 20 30 DCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028757784 661808635 /nfs/dbraw/zinc/80/86/35/661808635.db2.gz JFFXJTKQPGGEQP-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757784 661808636 /nfs/dbraw/zinc/80/86/36/661808636.db2.gz JFFXJTKQPGGEQP-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757784 661808638 /nfs/dbraw/zinc/80/86/38/661808638.db2.gz JFFXJTKQPGGEQP-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCSCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896989124 662382676 /nfs/dbraw/zinc/38/26/76/662382676.db2.gz OLPWONUYVNOOBS-OAHLLOKOSA-N 2 1 309.479 0.980 20 30 DCEDMP C#CCSCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000896989124 662382677 /nfs/dbraw/zinc/38/26/77/662382677.db2.gz OLPWONUYVNOOBS-OAHLLOKOSA-N 2 1 309.479 0.980 20 30 DCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000985469913 662463186 /nfs/dbraw/zinc/46/31/86/662463186.db2.gz KXYXEEXQPMMSNZ-MRXNPFEDSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000985469913 662463187 /nfs/dbraw/zinc/46/31/87/662463187.db2.gz KXYXEEXQPMMSNZ-MRXNPFEDSA-N 2 1 317.437 0.369 20 30 DCEDMP C[NH+](C)C1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000263067538 662625833 /nfs/dbraw/zinc/62/58/33/662625833.db2.gz GHNVUXYOLZGPGN-UHFFFAOYSA-N 2 1 303.414 0.008 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000716698 665921019 /nfs/dbraw/zinc/92/10/19/665921019.db2.gz YQXKPYKWVOXUNJ-IRXDYDNUSA-N 2 1 317.433 0.621 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000716698 665921020 /nfs/dbraw/zinc/92/10/20/665921020.db2.gz YQXKPYKWVOXUNJ-IRXDYDNUSA-N 2 1 317.433 0.621 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000716698 665921021 /nfs/dbraw/zinc/92/10/21/665921021.db2.gz YQXKPYKWVOXUNJ-IRXDYDNUSA-N 2 1 317.433 0.621 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000900726926 663272785 /nfs/dbraw/zinc/27/27/85/663272785.db2.gz XZUGSSZVGRNXKJ-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000900917670 663293870 /nfs/dbraw/zinc/29/38/70/663293870.db2.gz FGFURRBVGISZQM-AWEZNQCLSA-N 2 1 311.426 0.590 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCO)[C@@H]2C)CC1 ZINC000994495741 665116513 /nfs/dbraw/zinc/11/65/13/665116513.db2.gz GRYVWCOGUYXZAS-NVXWUHKLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031740482 665396014 /nfs/dbraw/zinc/39/60/14/665396014.db2.gz DACSLDBBUJXUSB-RDJZCZTQSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031740482 665396016 /nfs/dbraw/zinc/39/60/16/665396016.db2.gz DACSLDBBUJXUSB-RDJZCZTQSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941534399 666016986 /nfs/dbraw/zinc/01/69/86/666016986.db2.gz YDWAANWZXPAZIL-HOTGVXAUSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941534399 666016987 /nfs/dbraw/zinc/01/69/87/666016987.db2.gz YDWAANWZXPAZIL-HOTGVXAUSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000941677650 666039486 /nfs/dbraw/zinc/03/94/86/666039486.db2.gz RTKOYGIAXXXTGF-HZPDHXFCSA-N 2 1 320.481 0.874 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756724 666098814 /nfs/dbraw/zinc/09/88/14/666098814.db2.gz IZFPQCPZNDJUJL-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516351 666290580 /nfs/dbraw/zinc/29/05/80/666290580.db2.gz MAURMJGUZVDAAV-GDBMZVCRSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033142088 666559635 /nfs/dbraw/zinc/55/96/35/666559635.db2.gz PYKGXVNQXQSILU-DLBZAZTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033142088 666559637 /nfs/dbraw/zinc/55/96/37/666559637.db2.gz PYKGXVNQXQSILU-DLBZAZTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033142088 666559639 /nfs/dbraw/zinc/55/96/39/666559639.db2.gz PYKGXVNQXQSILU-DLBZAZTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033142088 666559640 /nfs/dbraw/zinc/55/96/40/666559640.db2.gz PYKGXVNQXQSILU-DLBZAZTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033142088 666559641 /nfs/dbraw/zinc/55/96/41/666559641.db2.gz PYKGXVNQXQSILU-DLBZAZTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069665 666737182 /nfs/dbraw/zinc/73/71/82/666737182.db2.gz KLHMMWUNYRVABR-DGSCNEQVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001033687498 666795720 /nfs/dbraw/zinc/79/57/20/666795720.db2.gz HTEWAYAKQOOAHN-GOEBONIOSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCCN2CCC[N@H+](C)CC2)CC1 ZINC000733893378 666827025 /nfs/dbraw/zinc/82/70/25/666827025.db2.gz RFVFDZJTSXSSLT-UHFFFAOYSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+]2CCCN(C)CC2)CC1 ZINC000733893378 666827026 /nfs/dbraw/zinc/82/70/26/666827026.db2.gz RFVFDZJTSXSSLT-UHFFFAOYSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCCN(C)CC2)CC1 ZINC000733893378 666827028 /nfs/dbraw/zinc/82/70/28/666827028.db2.gz RFVFDZJTSXSSLT-UHFFFAOYSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736233545 667125532 /nfs/dbraw/zinc/12/55/32/667125532.db2.gz XJJHEMFXNOOAIC-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736233545 667125533 /nfs/dbraw/zinc/12/55/33/667125533.db2.gz XJJHEMFXNOOAIC-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740708 667166029 /nfs/dbraw/zinc/16/60/29/667166029.db2.gz GIIYBDCIWAJCKA-HQVVEAJESA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000884160488 667487112 /nfs/dbraw/zinc/48/71/12/667487112.db2.gz FNSMXZBLSVGPTG-HZPDHXFCSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000884160488 667487115 /nfs/dbraw/zinc/48/71/15/667487115.db2.gz FNSMXZBLSVGPTG-HZPDHXFCSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000884160488 667487118 /nfs/dbraw/zinc/48/71/18/667487118.db2.gz FNSMXZBLSVGPTG-HZPDHXFCSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000884160488 667487121 /nfs/dbraw/zinc/48/71/21/667487121.db2.gz FNSMXZBLSVGPTG-HZPDHXFCSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000923556124 667562965 /nfs/dbraw/zinc/56/29/65/667562965.db2.gz UWYFKJCHEOEEFW-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000923556124 667562966 /nfs/dbraw/zinc/56/29/66/667562966.db2.gz UWYFKJCHEOEEFW-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000890369181 668122722 /nfs/dbraw/zinc/12/27/22/668122722.db2.gz RORSCEMNKKOTFD-OAHLLOKOSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000890369181 668122724 /nfs/dbraw/zinc/12/27/24/668122724.db2.gz RORSCEMNKKOTFD-OAHLLOKOSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000928653120 668612513 /nfs/dbraw/zinc/61/25/13/668612513.db2.gz ZRKLLCMWXKKYPQ-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267709550 1157931362 /nfs/dbraw/zinc/93/13/62/1157931362.db2.gz XHUSJJIKSDQKEF-HOTGVXAUSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267709550 1157931364 /nfs/dbraw/zinc/93/13/64/1157931364.db2.gz XHUSJJIKSDQKEF-HOTGVXAUSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267709550 1157931365 /nfs/dbraw/zinc/93/13/65/1157931365.db2.gz XHUSJJIKSDQKEF-HOTGVXAUSA-N 2 1 309.454 0.921 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036856467 670223372 /nfs/dbraw/zinc/22/33/72/670223372.db2.gz RVDWZHYGIYHCFY-DOTOQJQBSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000820196685 671177763 /nfs/dbraw/zinc/17/77/63/671177763.db2.gz HHIQLIKNUIDJIT-CVEARBPZSA-N 2 1 305.422 0.454 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nnc2ccccn21 ZINC000303792808 685207328 /nfs/dbraw/zinc/20/73/28/685207328.db2.gz YTHSZUXINXQUGT-CYBMUJFWSA-N 2 1 315.425 0.660 20 30 DCEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+](C)C1CCCC1 ZINC000304762935 685212189 /nfs/dbraw/zinc/21/21/89/685212189.db2.gz WFNUKUPXOHERQR-UHFFFAOYSA-N 2 1 311.474 0.358 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038255976 694028115 /nfs/dbraw/zinc/02/81/15/694028115.db2.gz ACDGVLWRKBKJGA-AWEZNQCLSA-N 2 1 305.426 0.825 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958176445 687407256 /nfs/dbraw/zinc/40/72/56/687407256.db2.gz SYZJUAXLZBEQDW-JKSUJKDBSA-N 2 1 321.465 0.847 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958262111 687490220 /nfs/dbraw/zinc/49/02/20/687490220.db2.gz GXRXYDWLICCGCE-GOEBONIOSA-N 2 1 314.389 0.933 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597751 687785887 /nfs/dbraw/zinc/78/58/87/687785887.db2.gz FVICCEDMCQNCBB-XJKSGUPXSA-N 2 1 318.421 0.746 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597751 687785890 /nfs/dbraw/zinc/78/58/90/687785890.db2.gz FVICCEDMCQNCBB-XJKSGUPXSA-N 2 1 318.421 0.746 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961342320 688597691 /nfs/dbraw/zinc/59/76/91/688597691.db2.gz LZEFJWFGSLQTHW-HZMVEIRTSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)COC)CC1 ZINC001039042254 694283989 /nfs/dbraw/zinc/28/39/89/694283989.db2.gz OKAAQDPVPFOPSZ-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039452119 694366595 /nfs/dbraw/zinc/36/65/95/694366595.db2.gz HMZOMUMVHQOJKB-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039452119 694366598 /nfs/dbraw/zinc/36/65/98/694366598.db2.gz HMZOMUMVHQOJKB-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000968752583 690385693 /nfs/dbraw/zinc/38/56/93/690385693.db2.gz PIPVOLHFBMWMPM-DOMZBBRYSA-N 2 1 301.394 0.614 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000968752583 690385696 /nfs/dbraw/zinc/38/56/96/690385696.db2.gz PIPVOLHFBMWMPM-DOMZBBRYSA-N 2 1 301.394 0.614 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000968752583 690385698 /nfs/dbraw/zinc/38/56/98/690385698.db2.gz PIPVOLHFBMWMPM-DOMZBBRYSA-N 2 1 301.394 0.614 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001009627389 691077468 /nfs/dbraw/zinc/07/74/68/691077468.db2.gz LNMMJVSKOFKDIX-MRXNPFEDSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457386 692023815 /nfs/dbraw/zinc/02/38/15/692023815.db2.gz GYHDOCLXBMVJJU-CQSZACIVSA-N 2 1 305.426 0.825 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016553091 692719240 /nfs/dbraw/zinc/71/92/40/692719240.db2.gz PNZXZUGVFGCMFP-LSDHHAIUSA-N 2 1 305.422 0.311 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553091 692719242 /nfs/dbraw/zinc/71/92/42/692719242.db2.gz PNZXZUGVFGCMFP-LSDHHAIUSA-N 2 1 305.422 0.311 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433985 694726514 /nfs/dbraw/zinc/72/65/14/694726514.db2.gz YQQLIQUBFXXMBP-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001074880479 694928272 /nfs/dbraw/zinc/92/82/72/694928272.db2.gz ANJIYPQXRMURJI-BJJXKVORSA-N 2 1 300.406 0.966 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001571606747 1162856314 /nfs/dbraw/zinc/85/63/14/1162856314.db2.gz UQMKQCORBVIYSR-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001672035106 1157436367 /nfs/dbraw/zinc/43/63/67/1157436367.db2.gz UAPXXEXFEDYEMK-QGZVFWFLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)C[C@H](C)O)C2)CC1 ZINC001691997535 1157565914 /nfs/dbraw/zinc/56/59/14/1157565914.db2.gz DMYBFVVOALLQFU-JKSUJKDBSA-N 2 1 321.465 0.493 20 30 DCEDMP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754315540 1157683961 /nfs/dbraw/zinc/68/39/61/1157683961.db2.gz WEEZXAORXOUPHL-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754315540 1157683963 /nfs/dbraw/zinc/68/39/63/1157683963.db2.gz WEEZXAORXOUPHL-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001565992000 1159940962 /nfs/dbraw/zinc/94/09/62/1159940962.db2.gz AGPDQYOEUOQSMC-NSHDSACASA-N 2 1 305.382 0.026 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001566028896 1159945807 /nfs/dbraw/zinc/94/58/07/1159945807.db2.gz JKMRDDSBARUOTR-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001566028896 1159945812 /nfs/dbraw/zinc/94/58/12/1159945812.db2.gz JKMRDDSBARUOTR-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1CC ZINC001566028896 1159945817 /nfs/dbraw/zinc/94/58/17/1159945817.db2.gz JKMRDDSBARUOTR-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1CC ZINC001566028896 1159945822 /nfs/dbraw/zinc/94/58/22/1159945822.db2.gz JKMRDDSBARUOTR-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001567926936 1160537606 /nfs/dbraw/zinc/53/76/06/1160537606.db2.gz BTGJVBAWAXMNCE-HNNXBMFYSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001567926936 1160537612 /nfs/dbraw/zinc/53/76/12/1160537612.db2.gz BTGJVBAWAXMNCE-HNNXBMFYSA-N 2 1 306.410 0.927 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001568277372 1160619456 /nfs/dbraw/zinc/61/94/56/1160619456.db2.gz WUJTZQYRBVUOIJ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C2 ZINC001578842634 1165137942 /nfs/dbraw/zinc/13/79/42/1165137942.db2.gz QSEBCZMHNBKYIM-UMPJEAMMSA-N 2 1 321.421 0.644 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001673306738 1174018583 /nfs/dbraw/zinc/01/85/83/1174018583.db2.gz ZPKDLKZGQHTAPA-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001660938557 1174071953 /nfs/dbraw/zinc/07/19/53/1174071953.db2.gz CVFFBHGVBCNRRQ-UHFFFAOYSA-N 2 1 310.486 0.884 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC[C@@H]1CCOC1 ZINC001663201072 1174275759 /nfs/dbraw/zinc/27/57/59/1174275759.db2.gz KKOVFUQMGSXAHE-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC[C@@H]1CCOC1 ZINC001663201072 1174275766 /nfs/dbraw/zinc/27/57/66/1174275766.db2.gz KKOVFUQMGSXAHE-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[C@@H]1CCOC1 ZINC001663201072 1174275768 /nfs/dbraw/zinc/27/57/68/1174275768.db2.gz KKOVFUQMGSXAHE-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[C@@H]1CCOC1 ZINC001663201072 1174275774 /nfs/dbraw/zinc/27/57/74/1174275774.db2.gz KKOVFUQMGSXAHE-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001663481658 1174305013 /nfs/dbraw/zinc/30/50/13/1174305013.db2.gz MOEPUFNPKCQDKV-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001663481658 1174305018 /nfs/dbraw/zinc/30/50/18/1174305018.db2.gz MOEPUFNPKCQDKV-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001663481658 1174305024 /nfs/dbraw/zinc/30/50/24/1174305024.db2.gz MOEPUFNPKCQDKV-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001663481658 1174305028 /nfs/dbraw/zinc/30/50/28/1174305028.db2.gz MOEPUFNPKCQDKV-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001663538092 1174316333 /nfs/dbraw/zinc/31/63/33/1174316333.db2.gz YAKOAZHHMJQMRK-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001663538092 1174316341 /nfs/dbraw/zinc/31/63/41/1174316341.db2.gz YAKOAZHHMJQMRK-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001663620901 1174334838 /nfs/dbraw/zinc/33/48/38/1174334838.db2.gz RRKXWULCTCLQDJ-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001663683684 1174342422 /nfs/dbraw/zinc/34/24/22/1174342422.db2.gz BFGVKQKRFLWSRS-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001663683684 1174342426 /nfs/dbraw/zinc/34/24/26/1174342426.db2.gz BFGVKQKRFLWSRS-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001663942496 1174374860 /nfs/dbraw/zinc/37/48/60/1174374860.db2.gz WOWILXLFECWFDA-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CCNC(=O)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001664492258 1174435864 /nfs/dbraw/zinc/43/58/64/1174435864.db2.gz NSQMQZXOWUMIGC-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC001664760188 1174455397 /nfs/dbraw/zinc/45/53/97/1174455397.db2.gz NICIFCULHHIPPV-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001664850055 1174466864 /nfs/dbraw/zinc/46/68/64/1174466864.db2.gz WJCNBQILTIBYII-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001664850055 1174466866 /nfs/dbraw/zinc/46/68/66/1174466866.db2.gz WJCNBQILTIBYII-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001664850055 1174466868 /nfs/dbraw/zinc/46/68/68/1174466868.db2.gz WJCNBQILTIBYII-IAGOWNOFSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001664898475 1174470100 /nfs/dbraw/zinc/47/01/00/1174470100.db2.gz ORQGWDPYBXPONO-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001664898475 1174470104 /nfs/dbraw/zinc/47/01/04/1174470104.db2.gz ORQGWDPYBXPONO-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001664898475 1174470105 /nfs/dbraw/zinc/47/01/05/1174470105.db2.gz ORQGWDPYBXPONO-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001664898475 1174470108 /nfs/dbraw/zinc/47/01/08/1174470108.db2.gz ORQGWDPYBXPONO-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001665647278 1174546957 /nfs/dbraw/zinc/54/69/57/1174546957.db2.gz PPIYGDGDJSEKDL-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001665647278 1174546961 /nfs/dbraw/zinc/54/69/61/1174546961.db2.gz PPIYGDGDJSEKDL-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001671671680 1175030160 /nfs/dbraw/zinc/03/01/60/1175030160.db2.gz AGPYVVIWHJOMTL-KRWDZBQOSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001671671680 1175030166 /nfs/dbraw/zinc/03/01/66/1175030166.db2.gz AGPYVVIWHJOMTL-KRWDZBQOSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001672002874 1175059627 /nfs/dbraw/zinc/05/96/27/1175059627.db2.gz AHZZJCAQDVVOQC-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001672002874 1175059634 /nfs/dbraw/zinc/05/96/34/1175059634.db2.gz AHZZJCAQDVVOQC-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001672002874 1175059637 /nfs/dbraw/zinc/05/96/37/1175059637.db2.gz AHZZJCAQDVVOQC-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001672043981 1175069807 /nfs/dbraw/zinc/06/98/07/1175069807.db2.gz DZRRZMVSKCUICQ-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001672485943 1175114968 /nfs/dbraw/zinc/11/49/68/1175114968.db2.gz AOCCXGPZAXDOCJ-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001672485943 1175114971 /nfs/dbraw/zinc/11/49/71/1175114971.db2.gz AOCCXGPZAXDOCJ-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001672485943 1175114977 /nfs/dbraw/zinc/11/49/77/1175114977.db2.gz AOCCXGPZAXDOCJ-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001672485943 1175114980 /nfs/dbraw/zinc/11/49/80/1175114980.db2.gz AOCCXGPZAXDOCJ-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001672495429 1175116223 /nfs/dbraw/zinc/11/62/23/1175116223.db2.gz KFACMEHJMFRFGH-SFHVURJKSA-N 2 1 323.481 0.931 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001675727029 1175388026 /nfs/dbraw/zinc/38/80/26/1175388026.db2.gz RIROWOLPACLKPR-RBSFLKMASA-N 2 1 311.426 0.004 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001676267311 1175432345 /nfs/dbraw/zinc/43/23/45/1175432345.db2.gz BQYSMFJOHIWZSJ-WBVHZDCISA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001688950413 1176663045 /nfs/dbraw/zinc/66/30/45/1176663045.db2.gz ICGVVKLGLABSKL-XQLPTFJDSA-N 2 1 322.453 0.113 20 30 DCEDMP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001689137561 1176704573 /nfs/dbraw/zinc/70/45/73/1176704573.db2.gz VJCUPRGEBXMTRF-CYBMUJFWSA-N 2 1 319.409 0.558 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](CCC)CCO)C1 ZINC001689204204 1176739897 /nfs/dbraw/zinc/73/98/97/1176739897.db2.gz GXCMYUGVMNJDDR-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](CCC)CCO)C1 ZINC001689204204 1176739903 /nfs/dbraw/zinc/73/99/03/1176739903.db2.gz GXCMYUGVMNJDDR-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](CCC)CCO)C1 ZINC001689204204 1176739908 /nfs/dbraw/zinc/73/99/08/1176739908.db2.gz GXCMYUGVMNJDDR-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](CCC)CCO)C1 ZINC001689204204 1176739914 /nfs/dbraw/zinc/73/99/14/1176739914.db2.gz GXCMYUGVMNJDDR-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](CCC)CCO)C1 ZINC001689204204 1176739917 /nfs/dbraw/zinc/73/99/17/1176739917.db2.gz GXCMYUGVMNJDDR-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001689204829 1176740576 /nfs/dbraw/zinc/74/05/76/1176740576.db2.gz QPSBTKMHVFRALR-INIZCTEOSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001689204829 1176740582 /nfs/dbraw/zinc/74/05/82/1176740582.db2.gz QPSBTKMHVFRALR-INIZCTEOSA-N 2 1 309.454 0.942 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001690155578 1177182897 /nfs/dbraw/zinc/18/28/97/1177182897.db2.gz DRLPQBSTTZEWIK-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001690343521 1177218290 /nfs/dbraw/zinc/21/82/90/1177218290.db2.gz VOWIPUOTPDGPKZ-MJBXVCDLSA-N 2 1 308.426 0.010 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001690708043 1177308362 /nfs/dbraw/zinc/30/83/62/1177308362.db2.gz IKGLZBKTLNGNFP-OWCLPIDISA-N 2 1 307.438 0.415 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001699060751 1177813365 /nfs/dbraw/zinc/81/33/65/1177813365.db2.gz AOTJXEREVRBZGF-GFCCVEGCSA-N 2 1 308.382 0.137 20 30 DCEDMP C=CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699442012 1178139032 /nfs/dbraw/zinc/13/90/32/1178139032.db2.gz NQWJMEDWCMNBLD-HOCLYGCPSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001699669757 1178246217 /nfs/dbraw/zinc/24/62/17/1178246217.db2.gz KVYRGGVCGPEUAO-KBPBESRZSA-N 2 1 322.453 0.257 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001699898491 1178349279 /nfs/dbraw/zinc/34/92/79/1178349279.db2.gz OBYOFCJSZIEWRS-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001699898491 1178349290 /nfs/dbraw/zinc/34/92/90/1178349290.db2.gz OBYOFCJSZIEWRS-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001699898491 1178349296 /nfs/dbraw/zinc/34/92/96/1178349296.db2.gz OBYOFCJSZIEWRS-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001700008828 1178428703 /nfs/dbraw/zinc/42/87/03/1178428703.db2.gz YGIXQFYTVGVTJO-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001700093037 1178476682 /nfs/dbraw/zinc/47/66/82/1178476682.db2.gz CNOYZLKGOHFNGW-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001700093037 1178476684 /nfs/dbraw/zinc/47/66/84/1178476684.db2.gz CNOYZLKGOHFNGW-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700203875 1178529458 /nfs/dbraw/zinc/52/94/58/1178529458.db2.gz VDBMLSODSLRKIR-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001700236822 1178545898 /nfs/dbraw/zinc/54/58/98/1178545898.db2.gz QWVZKKCFUSBKOI-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001700300740 1178572271 /nfs/dbraw/zinc/57/22/71/1178572271.db2.gz COXQDNVCFZTXNC-HZPDHXFCSA-N 2 1 319.449 0.580 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001700366370 1178597781 /nfs/dbraw/zinc/59/77/81/1178597781.db2.gz UJEFOLUENCXKIZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001700366370 1178597784 /nfs/dbraw/zinc/59/77/84/1178597784.db2.gz UJEFOLUENCXKIZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001700366370 1178597789 /nfs/dbraw/zinc/59/77/89/1178597789.db2.gz UJEFOLUENCXKIZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001700366370 1178597794 /nfs/dbraw/zinc/59/77/94/1178597794.db2.gz UJEFOLUENCXKIZ-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC001700926154 1178807286 /nfs/dbraw/zinc/80/72/86/1178807286.db2.gz JUZRZBDNDREKLH-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC001700926154 1178807296 /nfs/dbraw/zinc/80/72/96/1178807296.db2.gz JUZRZBDNDREKLH-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC=C(C)C ZINC001700943760 1178822670 /nfs/dbraw/zinc/82/26/70/1178822670.db2.gz PROWKVAIWNEUIS-CVEARBPZSA-N 2 1 307.438 0.459 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC=C(C)C ZINC001700943760 1178822673 /nfs/dbraw/zinc/82/26/73/1178822673.db2.gz PROWKVAIWNEUIS-CVEARBPZSA-N 2 1 307.438 0.459 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001707023707 1180400663 /nfs/dbraw/zinc/40/06/63/1180400663.db2.gz UMVQFWNHZGRJMI-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001707083223 1180413574 /nfs/dbraw/zinc/41/35/74/1180413574.db2.gz QBYLCQYUNJRJKI-ULQDDVLXSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001713077035 1180670137 /nfs/dbraw/zinc/67/01/37/1180670137.db2.gz NXHQSBAARRZJOW-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001713597849 1180955851 /nfs/dbraw/zinc/95/58/51/1180955851.db2.gz IEIXNTRLTLSNLN-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001713597847 1180955878 /nfs/dbraw/zinc/95/58/78/1180955878.db2.gz IEIXNTRLTLSNLN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCO)CC1 ZINC001713676634 1181013175 /nfs/dbraw/zinc/01/31/75/1181013175.db2.gz FLUBALLMAJMZRR-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCO)CC1 ZINC001713676634 1181013182 /nfs/dbraw/zinc/01/31/82/1181013182.db2.gz FLUBALLMAJMZRR-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001713737864 1181036857 /nfs/dbraw/zinc/03/68/57/1181036857.db2.gz NYDGMMAQPQFPPO-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001713737864 1181036862 /nfs/dbraw/zinc/03/68/62/1181036862.db2.gz NYDGMMAQPQFPPO-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001713737864 1181036867 /nfs/dbraw/zinc/03/68/67/1181036867.db2.gz NYDGMMAQPQFPPO-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001713744995 1181039822 /nfs/dbraw/zinc/03/98/22/1181039822.db2.gz PILWUHFTUSYSEI-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001713744995 1181039826 /nfs/dbraw/zinc/03/98/26/1181039826.db2.gz PILWUHFTUSYSEI-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001713744559 1181040268 /nfs/dbraw/zinc/04/02/68/1181040268.db2.gz BDUMDKYBPFKESQ-IAGOWNOFSA-N 2 1 320.481 0.568 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001713905988 1181140453 /nfs/dbraw/zinc/14/04/53/1181140453.db2.gz FLLAUROGZRHHCI-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001713905988 1181140459 /nfs/dbraw/zinc/14/04/59/1181140459.db2.gz FLLAUROGZRHHCI-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001714278657 1181304868 /nfs/dbraw/zinc/30/48/68/1181304868.db2.gz NEDHIGFESXBDKO-HUUCEWRRSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001714345641 1181328427 /nfs/dbraw/zinc/32/84/27/1181328427.db2.gz GDZFZDVDFKZVHA-RRFJBIMHSA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001714610771 1181439822 /nfs/dbraw/zinc/43/98/22/1181439822.db2.gz IMDCRYGPHIDPDX-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001714610771 1181439827 /nfs/dbraw/zinc/43/98/27/1181439827.db2.gz IMDCRYGPHIDPDX-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001714610771 1181439831 /nfs/dbraw/zinc/43/98/31/1181439831.db2.gz IMDCRYGPHIDPDX-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCOCC1 ZINC001714654415 1181462845 /nfs/dbraw/zinc/46/28/45/1181462845.db2.gz ASGJJOHXPJGRSL-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCOCC1 ZINC001714654415 1181462850 /nfs/dbraw/zinc/46/28/50/1181462850.db2.gz ASGJJOHXPJGRSL-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC[NH+](CC)C[C@H](F)C(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001714967650 1181620626 /nfs/dbraw/zinc/62/06/26/1181620626.db2.gz VCHWFJVHUFLHDT-HNNXBMFYSA-N 2 1 313.417 0.364 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001715026020 1181657770 /nfs/dbraw/zinc/65/77/70/1181657770.db2.gz UZIVKNKZIVIHPS-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001715333507 1181778163 /nfs/dbraw/zinc/77/81/63/1181778163.db2.gz AGGUXLOQHYUVBB-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001716004178 1182141563 /nfs/dbraw/zinc/14/15/63/1182141563.db2.gz RXGNITMLTJYNCM-UONOGXRCSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001716004178 1182141568 /nfs/dbraw/zinc/14/15/68/1182141568.db2.gz RXGNITMLTJYNCM-UONOGXRCSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716004178 1182141570 /nfs/dbraw/zinc/14/15/70/1182141570.db2.gz RXGNITMLTJYNCM-UONOGXRCSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001716004178 1182141576 /nfs/dbraw/zinc/14/15/76/1182141576.db2.gz RXGNITMLTJYNCM-UONOGXRCSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716029485 1182153394 /nfs/dbraw/zinc/15/33/94/1182153394.db2.gz NGHYVLJYBCHFQS-DZGCQCFKSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716029485 1182153397 /nfs/dbraw/zinc/15/33/97/1182153397.db2.gz NGHYVLJYBCHFQS-DZGCQCFKSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001716830938 1182537299 /nfs/dbraw/zinc/53/72/99/1182537299.db2.gz AHCIIJAKSRPFMX-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001716830938 1182537302 /nfs/dbraw/zinc/53/73/02/1182537302.db2.gz AHCIIJAKSRPFMX-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001716830938 1182537307 /nfs/dbraw/zinc/53/73/07/1182537307.db2.gz AHCIIJAKSRPFMX-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)CCOCC1 ZINC001716905317 1182563944 /nfs/dbraw/zinc/56/39/44/1182563944.db2.gz CAZXLBDVSHMUQN-INIZCTEOSA-N 2 1 317.433 0.362 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)CCOCC1 ZINC001716905317 1182563948 /nfs/dbraw/zinc/56/39/48/1182563948.db2.gz CAZXLBDVSHMUQN-INIZCTEOSA-N 2 1 317.433 0.362 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001716944352 1182597880 /nfs/dbraw/zinc/59/78/80/1182597880.db2.gz YELYLCCMYZOWPN-CABCVRRESA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001716944352 1182597882 /nfs/dbraw/zinc/59/78/82/1182597882.db2.gz YELYLCCMYZOWPN-CABCVRRESA-N 2 1 307.438 0.742 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001717022976 1182628699 /nfs/dbraw/zinc/62/86/99/1182628699.db2.gz JJDOTEKENDUONI-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001717022976 1182628702 /nfs/dbraw/zinc/62/87/02/1182628702.db2.gz JJDOTEKENDUONI-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001717022976 1182628706 /nfs/dbraw/zinc/62/87/06/1182628706.db2.gz JJDOTEKENDUONI-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001717022976 1182628709 /nfs/dbraw/zinc/62/87/09/1182628709.db2.gz JJDOTEKENDUONI-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001717063793 1182661663 /nfs/dbraw/zinc/66/16/63/1182661663.db2.gz MWANXYLXAACKLG-UHFFFAOYSA-N 2 1 315.377 0.477 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCO1 ZINC001717172138 1182708659 /nfs/dbraw/zinc/70/86/59/1182708659.db2.gz FZCOTKIDZYQGNC-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001717253487 1182750693 /nfs/dbraw/zinc/75/06/93/1182750693.db2.gz AXABLRMSPBFZMV-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717938828 1183078114 /nfs/dbraw/zinc/07/81/14/1183078114.db2.gz TWRUXAKIVGXVPR-HZPDHXFCSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001717938828 1183078118 /nfs/dbraw/zinc/07/81/18/1183078118.db2.gz TWRUXAKIVGXVPR-HZPDHXFCSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001717938828 1183078121 /nfs/dbraw/zinc/07/81/21/1183078121.db2.gz TWRUXAKIVGXVPR-HZPDHXFCSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCC ZINC001717939796 1183078764 /nfs/dbraw/zinc/07/87/64/1183078764.db2.gz ODYXLKPDBIMWBL-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCC ZINC001717939796 1183078768 /nfs/dbraw/zinc/07/87/68/1183078768.db2.gz ODYXLKPDBIMWBL-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCCC ZINC001717939796 1183078773 /nfs/dbraw/zinc/07/87/73/1183078773.db2.gz ODYXLKPDBIMWBL-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCCC ZINC001717939796 1183078777 /nfs/dbraw/zinc/07/87/77/1183078777.db2.gz ODYXLKPDBIMWBL-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722905333 1184230408 /nfs/dbraw/zinc/23/04/08/1184230408.db2.gz PSMLDRCSDJQIHN-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722905333 1184230414 /nfs/dbraw/zinc/23/04/14/1184230414.db2.gz PSMLDRCSDJQIHN-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC#CCOC)C1 ZINC001724602211 1184470322 /nfs/dbraw/zinc/47/03/22/1184470322.db2.gz JZYGZGFWYTYMEN-JKSUJKDBSA-N 2 1 309.454 0.662 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001724629517 1184481617 /nfs/dbraw/zinc/48/16/17/1184481617.db2.gz BCSJVGDLDJRAQO-UHFFFAOYSA-N 2 1 317.437 0.385 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001724908330 1184615403 /nfs/dbraw/zinc/61/54/03/1184615403.db2.gz FRRDWADTCWYGMG-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCOC(C)C)C1 ZINC001725065913 1184673892 /nfs/dbraw/zinc/67/38/92/1184673892.db2.gz FQGCUCOBFISCIY-JCYILVPMSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCOC(C)C)C1 ZINC001725065913 1184673895 /nfs/dbraw/zinc/67/38/95/1184673895.db2.gz FQGCUCOBFISCIY-JCYILVPMSA-N 2 1 321.465 0.993 20 30 DCEDMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001725234162 1184731529 /nfs/dbraw/zinc/73/15/29/1184731529.db2.gz LSBVLEIDWSJAHP-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001725234162 1184731541 /nfs/dbraw/zinc/73/15/41/1184731541.db2.gz LSBVLEIDWSJAHP-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001725245933 1184734701 /nfs/dbraw/zinc/73/47/01/1184734701.db2.gz FCVNNLHQDKIYAG-PBHICJAKSA-N 2 1 319.449 0.415 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001725326765 1184770342 /nfs/dbraw/zinc/77/03/42/1184770342.db2.gz WBRVTNVWGKVOOL-OSYLJGHBSA-N 2 1 321.465 0.967 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725552878 1184880744 /nfs/dbraw/zinc/88/07/44/1184880744.db2.gz QPNQMZVZRQCAJJ-CVEARBPZSA-N 2 1 303.406 0.379 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725725127 1184975919 /nfs/dbraw/zinc/97/59/19/1184975919.db2.gz SQANTHYCHZEWIX-IRXDYDNUSA-N 2 1 317.433 0.674 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725725127 1184975922 /nfs/dbraw/zinc/97/59/22/1184975922.db2.gz SQANTHYCHZEWIX-IRXDYDNUSA-N 2 1 317.433 0.674 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725769225 1184987426 /nfs/dbraw/zinc/98/74/26/1184987426.db2.gz IRUQTDGEBDKIQA-DLBZAZTESA-N 2 1 317.433 0.722 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001731480710 1185352991 /nfs/dbraw/zinc/35/29/91/1185352991.db2.gz WSXYKAUNJPGZTE-BBWFWOEESA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001731480710 1185353001 /nfs/dbraw/zinc/35/30/01/1185353001.db2.gz WSXYKAUNJPGZTE-BBWFWOEESA-N 2 1 319.449 0.747 20 30 DCEDMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC#Cc1ccccc1 ZINC001731590000 1185400681 /nfs/dbraw/zinc/40/06/81/1185400681.db2.gz XSSIBBMMJILAEC-NVXWUHKLSA-N 2 1 315.417 0.463 20 30 DCEDMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC#Cc1ccccc1 ZINC001731590000 1185400687 /nfs/dbraw/zinc/40/06/87/1185400687.db2.gz XSSIBBMMJILAEC-NVXWUHKLSA-N 2 1 315.417 0.463 20 30 DCEDMP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001732042803 1185644535 /nfs/dbraw/zinc/64/45/35/1185644535.db2.gz ZAMMPWIDTRHFFO-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001732042803 1185644538 /nfs/dbraw/zinc/64/45/38/1185644538.db2.gz ZAMMPWIDTRHFFO-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001732042803 1185644541 /nfs/dbraw/zinc/64/45/41/1185644541.db2.gz ZAMMPWIDTRHFFO-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001732042803 1185644546 /nfs/dbraw/zinc/64/45/46/1185644546.db2.gz ZAMMPWIDTRHFFO-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001732061972 1185653286 /nfs/dbraw/zinc/65/32/86/1185653286.db2.gz YJTWHIQNYUKJLA-MRXNPFEDSA-N 2 1 321.465 0.542 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001732288508 1185757568 /nfs/dbraw/zinc/75/75/68/1185757568.db2.gz NAKXALRTPOCFNG-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001732288508 1185757574 /nfs/dbraw/zinc/75/75/74/1185757574.db2.gz NAKXALRTPOCFNG-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001733184321 1186172815 /nfs/dbraw/zinc/17/28/15/1186172815.db2.gz UUBPQHIQRVZIGW-GOEBONIOSA-N 2 1 300.406 0.872 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001733483401 1186292615 /nfs/dbraw/zinc/29/26/15/1186292615.db2.gz RXBJLNWFFXBERT-ZBFHGGJFSA-N 2 1 315.433 0.795 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001733905813 1186493705 /nfs/dbraw/zinc/49/37/05/1186493705.db2.gz KKPKZLRQZQOAPT-RRFJBIMHSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCCC ZINC001734328656 1186615719 /nfs/dbraw/zinc/61/57/19/1186615719.db2.gz NNCLFSBCOWPITQ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCCC ZINC001734328656 1186615722 /nfs/dbraw/zinc/61/57/22/1186615722.db2.gz NNCLFSBCOWPITQ-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001734368959 1186628947 /nfs/dbraw/zinc/62/89/47/1186628947.db2.gz MYTXFUGQMVMPAG-KBPBESRZSA-N 2 1 306.410 0.487 20 30 DCEDMP COCC#CC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001753367309 1188574040 /nfs/dbraw/zinc/57/40/40/1188574040.db2.gz FVPNUVAAMXFVLF-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753853079 1188664623 /nfs/dbraw/zinc/66/46/23/1188664623.db2.gz KMAKDJIZWYUHDN-RBSFLKMASA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753853079 1188664625 /nfs/dbraw/zinc/66/46/25/1188664625.db2.gz KMAKDJIZWYUHDN-RBSFLKMASA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001753853079 1188664627 /nfs/dbraw/zinc/66/46/27/1188664627.db2.gz KMAKDJIZWYUHDN-RBSFLKMASA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753853079 1188664628 /nfs/dbraw/zinc/66/46/28/1188664628.db2.gz KMAKDJIZWYUHDN-RBSFLKMASA-N 2 1 324.469 0.408 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001753933382 1188688854 /nfs/dbraw/zinc/68/88/54/1188688854.db2.gz KIQXXMIOLNCEMP-IAGOWNOFSA-N 2 1 317.433 0.769 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754752864 1188921232 /nfs/dbraw/zinc/92/12/32/1188921232.db2.gz RWMMGIUEJUTAPU-QGZVFWFLSA-N 2 1 307.438 0.601 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755033832 1189001488 /nfs/dbraw/zinc/00/14/88/1189001488.db2.gz FYGQBYGZEAHJJJ-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001755177971 1189046879 /nfs/dbraw/zinc/04/68/79/1189046879.db2.gz KRZFJSVLSRTGLL-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001755312628 1189076766 /nfs/dbraw/zinc/07/67/66/1189076766.db2.gz DMEZFFCIRKYZKV-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001755312628 1189076770 /nfs/dbraw/zinc/07/67/70/1189076770.db2.gz DMEZFFCIRKYZKV-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001755441947 1189113525 /nfs/dbraw/zinc/11/35/25/1189113525.db2.gz LVLLAMXSDWKLBN-GOEBONIOSA-N 2 1 307.438 0.700 20 30 DCEDMP C[N@H+]1CCO[C@@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]21 ZINC001164670354 719370515 /nfs/dbraw/zinc/37/05/15/719370515.db2.gz UQMUXCIZHMFSMF-HZPDHXFCSA-N 2 1 313.405 0.508 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553951 751457956 /nfs/dbraw/zinc/45/79/56/751457956.db2.gz WFCBXBKFVTXJOP-BZUAXINKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553951 751457961 /nfs/dbraw/zinc/45/79/61/751457961.db2.gz WFCBXBKFVTXJOP-BZUAXINKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553951 751457963 /nfs/dbraw/zinc/45/79/63/751457963.db2.gz WFCBXBKFVTXJOP-BZUAXINKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089623247 751490762 /nfs/dbraw/zinc/49/07/62/751490762.db2.gz AKEBVTFDPKKGLA-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089623247 751490767 /nfs/dbraw/zinc/49/07/67/751490767.db2.gz AKEBVTFDPKKGLA-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089623247 751490772 /nfs/dbraw/zinc/49/07/72/751490772.db2.gz AKEBVTFDPKKGLA-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089623247 751490778 /nfs/dbraw/zinc/49/07/78/751490778.db2.gz AKEBVTFDPKKGLA-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981033 751706851 /nfs/dbraw/zinc/70/68/51/751706851.db2.gz FFSHGZOZIXCDCS-BZUAXINKSA-N 2 1 309.454 0.825 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001125213619 751838967 /nfs/dbraw/zinc/83/89/67/751838967.db2.gz ITHMGYBUPYJCRQ-ZDUSSCGKSA-N 2 1 308.407 0.156 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001125213619 751838977 /nfs/dbraw/zinc/83/89/77/751838977.db2.gz ITHMGYBUPYJCRQ-ZDUSSCGKSA-N 2 1 308.407 0.156 20 30 DCEDMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001125213618 751839171 /nfs/dbraw/zinc/83/91/71/751839171.db2.gz ITHMGYBUPYJCRQ-CYBMUJFWSA-N 2 1 308.407 0.156 20 30 DCEDMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001125213618 751839180 /nfs/dbraw/zinc/83/91/80/751839180.db2.gz ITHMGYBUPYJCRQ-CYBMUJFWSA-N 2 1 308.407 0.156 20 30 DCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083214798 747230266 /nfs/dbraw/zinc/23/02/66/747230266.db2.gz QZBLVEMOYAWYJE-JKSUJKDBSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083214798 747230270 /nfs/dbraw/zinc/23/02/70/747230270.db2.gz QZBLVEMOYAWYJE-JKSUJKDBSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1CC ZINC001087757474 749041243 /nfs/dbraw/zinc/04/12/43/749041243.db2.gz WSMIAOFSDPYCGB-JKSUJKDBSA-N 2 1 317.437 0.661 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168154091 749521443 /nfs/dbraw/zinc/52/14/43/749521443.db2.gz SGBSMPZLAXETMQ-UHFFFAOYSA-N 2 1 318.421 0.717 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475146 749984761 /nfs/dbraw/zinc/98/47/61/749984761.db2.gz UOQJQZXWWPZBBF-JJXSEGSLSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475146 749984763 /nfs/dbraw/zinc/98/47/63/749984763.db2.gz UOQJQZXWWPZBBF-JJXSEGSLSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475146 749984768 /nfs/dbraw/zinc/98/47/68/749984768.db2.gz UOQJQZXWWPZBBF-JJXSEGSLSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H]1C ZINC001088815606 750079102 /nfs/dbraw/zinc/07/91/02/750079102.db2.gz WWVNMVXGLNIZRI-PMPSAXMXSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815606 750079107 /nfs/dbraw/zinc/07/91/07/750079107.db2.gz WWVNMVXGLNIZRI-PMPSAXMXSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815606 750079113 /nfs/dbraw/zinc/07/91/13/750079113.db2.gz WWVNMVXGLNIZRI-PMPSAXMXSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815606 750079118 /nfs/dbraw/zinc/07/91/18/750079118.db2.gz WWVNMVXGLNIZRI-PMPSAXMXSA-N 2 1 307.438 0.698 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](O)C1 ZINC001083540604 750122444 /nfs/dbraw/zinc/12/24/44/750122444.db2.gz OKIZRAZSKRDERZ-GBOPCIDUSA-N 2 1 304.394 0.641 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](O)C1 ZINC001083540604 750122447 /nfs/dbraw/zinc/12/24/47/750122447.db2.gz OKIZRAZSKRDERZ-GBOPCIDUSA-N 2 1 304.394 0.641 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](O)C1 ZINC001083540604 750122458 /nfs/dbraw/zinc/12/24/58/750122458.db2.gz OKIZRAZSKRDERZ-GBOPCIDUSA-N 2 1 304.394 0.641 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780126 750976013 /nfs/dbraw/zinc/97/60/13/750976013.db2.gz RCTDYQGCIJGQKB-HIFRSBDPSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780126 750976016 /nfs/dbraw/zinc/97/60/16/750976016.db2.gz RCTDYQGCIJGQKB-HIFRSBDPSA-N 2 1 318.425 0.279 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC)[C@H](C)C1 ZINC001106266690 751073913 /nfs/dbraw/zinc/07/39/13/751073913.db2.gz XSIGJLRUTCHVAB-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC)[C@H](C)C1 ZINC001106266690 751073920 /nfs/dbraw/zinc/07/39/20/751073920.db2.gz XSIGJLRUTCHVAB-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203506737 751143270 /nfs/dbraw/zinc/14/32/70/751143270.db2.gz LERBCEGWSYNCSG-HUUCEWRRSA-N 2 1 305.422 0.359 20 30 DCEDMP C#CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC2(CCOCC2)C1 ZINC001099594450 752577367 /nfs/dbraw/zinc/57/73/67/752577367.db2.gz DAXFRTULPWTOSV-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC2(CCOCC2)C1 ZINC001099594450 752577372 /nfs/dbraw/zinc/57/73/72/752577372.db2.gz DAXFRTULPWTOSV-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC2(CCOCC2)C1 ZINC001099594450 752577376 /nfs/dbraw/zinc/57/73/76/752577376.db2.gz DAXFRTULPWTOSV-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046009938 753411988 /nfs/dbraw/zinc/41/19/88/753411988.db2.gz GITTWRZBGMZWHL-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046009938 753411993 /nfs/dbraw/zinc/41/19/93/753411993.db2.gz GITTWRZBGMZWHL-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046009938 753411998 /nfs/dbraw/zinc/41/19/98/753411998.db2.gz GITTWRZBGMZWHL-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064134 753457537 /nfs/dbraw/zinc/45/75/37/753457537.db2.gz GFDQAQDAEVALKR-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064134 753457539 /nfs/dbraw/zinc/45/75/39/753457539.db2.gz GFDQAQDAEVALKR-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064134 753457541 /nfs/dbraw/zinc/45/75/41/753457541.db2.gz GFDQAQDAEVALKR-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCOC)C2)CC1 ZINC001046849810 753979538 /nfs/dbraw/zinc/97/95/38/753979538.db2.gz JKXMKJIHKFSOKQ-KRWDZBQOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001047439552 754283411 /nfs/dbraw/zinc/28/34/11/754283411.db2.gz KSXWOUGSTPSFGR-PMPSAXMXSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001047439552 754283413 /nfs/dbraw/zinc/28/34/13/754283413.db2.gz KSXWOUGSTPSFGR-PMPSAXMXSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439552 754283415 /nfs/dbraw/zinc/28/34/15/754283415.db2.gz KSXWOUGSTPSFGR-PMPSAXMXSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439552 754283418 /nfs/dbraw/zinc/28/34/18/754283418.db2.gz KSXWOUGSTPSFGR-PMPSAXMXSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553479 754387146 /nfs/dbraw/zinc/38/71/46/754387146.db2.gz IBLHPIZWBNNMLE-HOTGVXAUSA-N 2 1 309.454 0.798 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824218 754962575 /nfs/dbraw/zinc/96/25/75/754962575.db2.gz VMLOOBFXWIMUQE-BBWFWOEESA-N 2 1 301.434 0.742 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)O2 ZINC001053655044 756135425 /nfs/dbraw/zinc/13/54/25/756135425.db2.gz CJVRTVWLLYDAQB-INIZCTEOSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001053924995 756281626 /nfs/dbraw/zinc/28/16/26/756281626.db2.gz DZTATKANHVJVIO-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001053924995 756281629 /nfs/dbraw/zinc/28/16/29/756281629.db2.gz DZTATKANHVJVIO-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081670425 756750320 /nfs/dbraw/zinc/75/03/20/756750320.db2.gz SDHQUGYKJWXYJD-BZUAXINKSA-N 2 1 305.422 0.167 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672615 756751285 /nfs/dbraw/zinc/75/12/85/756751285.db2.gz CJBGGWCVQANZNT-ARFHVFGLSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081980979 756892532 /nfs/dbraw/zinc/89/25/32/756892532.db2.gz MGGAYLHPLHNDMQ-OAGGEKHMSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081980979 756892538 /nfs/dbraw/zinc/89/25/38/756892538.db2.gz MGGAYLHPLHNDMQ-OAGGEKHMSA-N 2 1 307.438 0.862 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082291306 757006585 /nfs/dbraw/zinc/00/65/85/757006585.db2.gz LLPMXXBAAISPDE-IAGOWNOFSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082291320 757006608 /nfs/dbraw/zinc/00/66/08/757006608.db2.gz MGFVGFZMRNMYEZ-HZPDHXFCSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082291320 757006619 /nfs/dbraw/zinc/00/66/19/757006619.db2.gz MGFVGFZMRNMYEZ-HZPDHXFCSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2O)CC1 ZINC001084087957 757667770 /nfs/dbraw/zinc/66/77/70/757667770.db2.gz JUMVJLKMVUHCSQ-SJORKVTESA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)O)CC1 ZINC001098462903 762677602 /nfs/dbraw/zinc/67/76/02/762677602.db2.gz UMHWMOCFXOYSEW-DZUCGIPZSA-N 2 1 319.449 0.434 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117073 759189508 /nfs/dbraw/zinc/18/95/08/759189508.db2.gz FOMWIBBWVPZLSH-JKSUJKDBSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117073 759189514 /nfs/dbraw/zinc/18/95/14/759189514.db2.gz FOMWIBBWVPZLSH-JKSUJKDBSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117073 759189518 /nfs/dbraw/zinc/18/95/18/759189518.db2.gz FOMWIBBWVPZLSH-JKSUJKDBSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117073 759189524 /nfs/dbraw/zinc/18/95/24/759189524.db2.gz FOMWIBBWVPZLSH-JKSUJKDBSA-N 2 1 306.454 0.343 20 30 DCEDMP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117590 759191558 /nfs/dbraw/zinc/19/15/58/759191558.db2.gz UQHLRAYNTXYEOC-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CC#CCOC)C2 ZINC001147835342 767855546 /nfs/dbraw/zinc/85/55/46/767855546.db2.gz FOCGMVYNZUSNAO-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC#CCOC)C2 ZINC001147835342 767855554 /nfs/dbraw/zinc/85/55/54/767855554.db2.gz FOCGMVYNZUSNAO-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC#CCOC)C2 ZINC001147835342 767855562 /nfs/dbraw/zinc/85/55/62/767855562.db2.gz FOCGMVYNZUSNAO-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2cncn2C)[C@H](O)C1 ZINC001100094627 760246150 /nfs/dbraw/zinc/24/61/50/760246150.db2.gz PQQCMKNMQHQHRP-HZPDHXFCSA-N 2 1 320.437 0.870 20 30 DCEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001098450006 760301394 /nfs/dbraw/zinc/30/13/94/760301394.db2.gz ZDUOHAYMQFAHJG-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098450006 760301400 /nfs/dbraw/zinc/30/14/00/760301400.db2.gz ZDUOHAYMQFAHJG-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098450006 760301407 /nfs/dbraw/zinc/30/14/07/760301407.db2.gz ZDUOHAYMQFAHJG-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148292848 767960455 /nfs/dbraw/zinc/96/04/55/767960455.db2.gz WFTDGKPURJATBM-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148292848 767960457 /nfs/dbraw/zinc/96/04/57/767960457.db2.gz WFTDGKPURJATBM-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148292848 767960460 /nfs/dbraw/zinc/96/04/60/767960460.db2.gz WFTDGKPURJATBM-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070435232 761236381 /nfs/dbraw/zinc/23/63/81/761236381.db2.gz AFEPOKCUCDYEQD-KGLIPLIRSA-N 2 1 317.437 0.953 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070435232 761236384 /nfs/dbraw/zinc/23/63/84/761236384.db2.gz AFEPOKCUCDYEQD-KGLIPLIRSA-N 2 1 317.437 0.953 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070435232 761236388 /nfs/dbraw/zinc/23/63/88/761236388.db2.gz AFEPOKCUCDYEQD-KGLIPLIRSA-N 2 1 317.437 0.953 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433320 761647121 /nfs/dbraw/zinc/64/71/21/761647121.db2.gz PUJBGWWMARZSME-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433320 761647127 /nfs/dbraw/zinc/64/71/27/761647127.db2.gz PUJBGWWMARZSME-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC(F)(F)F ZINC001129790799 763004437 /nfs/dbraw/zinc/00/44/37/763004437.db2.gz IKCNLYGTFLTCGI-LBPRGKRZSA-N 2 1 321.343 0.369 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC(F)(F)F ZINC001129790799 763004442 /nfs/dbraw/zinc/00/44/42/763004442.db2.gz IKCNLYGTFLTCGI-LBPRGKRZSA-N 2 1 321.343 0.369 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)CC ZINC001129770379 763007233 /nfs/dbraw/zinc/00/72/33/763007233.db2.gz FGOYSYDVDKVUDF-AWEZNQCLSA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971656 763177530 /nfs/dbraw/zinc/17/75/30/763177530.db2.gz KUMXYGXKDDXLSI-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127583 763335440 /nfs/dbraw/zinc/33/54/40/763335440.db2.gz XEAMLCLGRGQALU-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100418653 763565560 /nfs/dbraw/zinc/56/55/60/763565560.db2.gz DRHRNTVPRYQIDB-OFLPRAFFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@@H](C)O2 ZINC001131677844 763944557 /nfs/dbraw/zinc/94/45/57/763944557.db2.gz PTELQDDYHHQION-QAPCUYQASA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269647 764346955 /nfs/dbraw/zinc/34/69/55/764346955.db2.gz NGJLRDSVMBQBKD-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269647 764346963 /nfs/dbraw/zinc/34/69/63/764346963.db2.gz NGJLRDSVMBQBKD-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CCN1C[C@H](NC(=O)Cc2cncn2C)CC[C@H]1C ZINC001132425946 764452709 /nfs/dbraw/zinc/45/27/09/764452709.db2.gz PIOZPUOAHOUVCD-HUUCEWRRSA-N 2 1 318.421 0.582 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469099 764653667 /nfs/dbraw/zinc/65/36/67/764653667.db2.gz OYZUXYIEUQUGQD-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469099 764653673 /nfs/dbraw/zinc/65/36/73/764653673.db2.gz OYZUXYIEUQUGQD-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133005076 764779822 /nfs/dbraw/zinc/77/98/22/764779822.db2.gz UYFQJTSUSIUKBA-AWEZNQCLSA-N 2 1 306.410 0.662 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819207 764828918 /nfs/dbraw/zinc/82/89/18/764828918.db2.gz PQUASGYFCRNLJF-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819207 764828924 /nfs/dbraw/zinc/82/89/24/764828924.db2.gz PQUASGYFCRNLJF-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819207 764828928 /nfs/dbraw/zinc/82/89/28/764828928.db2.gz PQUASGYFCRNLJF-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819207 764828936 /nfs/dbraw/zinc/82/89/36/764828936.db2.gz PQUASGYFCRNLJF-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001103099267 764944175 /nfs/dbraw/zinc/94/41/75/764944175.db2.gz HFNSTNBGYWVYRD-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001103099267 764944180 /nfs/dbraw/zinc/94/41/80/764944180.db2.gz HFNSTNBGYWVYRD-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001103099267 764944182 /nfs/dbraw/zinc/94/41/82/764944182.db2.gz HFNSTNBGYWVYRD-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001103099267 764944189 /nfs/dbraw/zinc/94/41/89/764944189.db2.gz HFNSTNBGYWVYRD-OAGGEKHMSA-N 2 1 307.438 0.151 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740810 765116618 /nfs/dbraw/zinc/11/66/18/765116618.db2.gz VPDJDLKTSMEPNP-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103740810 765116614 /nfs/dbraw/zinc/11/66/14/765116614.db2.gz VPDJDLKTSMEPNP-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740810 765116616 /nfs/dbraw/zinc/11/66/16/765116616.db2.gz VPDJDLKTSMEPNP-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740810 765116620 /nfs/dbraw/zinc/11/66/20/765116620.db2.gz VPDJDLKTSMEPNP-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845978 765180430 /nfs/dbraw/zinc/18/04/30/765180430.db2.gz QZLYXZPFXVXMNM-HNNXBMFYSA-N 2 1 324.469 0.459 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133918118 765231356 /nfs/dbraw/zinc/23/13/56/765231356.db2.gz PYDVTCLAKZAFJV-UHFFFAOYSA-N 2 1 317.433 0.517 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658476 765343588 /nfs/dbraw/zinc/34/35/88/765343588.db2.gz BOVLFYROBGSNAH-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658476 765343596 /nfs/dbraw/zinc/34/35/96/765343596.db2.gz BOVLFYROBGSNAH-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658476 765343602 /nfs/dbraw/zinc/34/36/02/765343602.db2.gz BOVLFYROBGSNAH-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658476 765343614 /nfs/dbraw/zinc/34/36/14/765343614.db2.gz BOVLFYROBGSNAH-JZXOWHBKSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)O)CCCCC1 ZINC001115577987 765761336 /nfs/dbraw/zinc/76/13/36/765761336.db2.gz TXGDUTIFHJWDJV-HOTGVXAUSA-N 2 1 321.465 0.874 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)O)CCCCC1 ZINC001115577987 765761339 /nfs/dbraw/zinc/76/13/39/765761339.db2.gz TXGDUTIFHJWDJV-HOTGVXAUSA-N 2 1 321.465 0.874 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086785025 766119451 /nfs/dbraw/zinc/11/94/51/766119451.db2.gz GJTBEBCBONFALZ-ARFHVFGLSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135992781 766199810 /nfs/dbraw/zinc/19/98/10/766199810.db2.gz VELKQRXDQNBZMU-GJZGRUSLSA-N 2 1 324.469 0.341 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572631 766327687 /nfs/dbraw/zinc/32/76/87/766327687.db2.gz HFGVNQIWTDCMSL-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572631 766327693 /nfs/dbraw/zinc/32/76/93/766327693.db2.gz HFGVNQIWTDCMSL-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572631 766327702 /nfs/dbraw/zinc/32/77/02/766327702.db2.gz HFGVNQIWTDCMSL-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090693753 766484133 /nfs/dbraw/zinc/48/41/33/766484133.db2.gz VDRNSUKAYKYLQZ-IAGOWNOFSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001098493125 766712904 /nfs/dbraw/zinc/71/29/04/766712904.db2.gz VMRDDVINRAPTPJ-UHFFFAOYSA-N 2 1 321.465 0.637 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001151048734 769245360 /nfs/dbraw/zinc/24/53/60/769245360.db2.gz FDZSZNIDRRXWTQ-HNNXBMFYSA-N 2 1 303.381 0.835 20 30 DCEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001151749081 769413770 /nfs/dbraw/zinc/41/37/70/769413770.db2.gz NVBVYVMTKUQTEZ-KRWDZBQOSA-N 2 1 315.417 0.465 20 30 DCEDMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001151749081 769413779 /nfs/dbraw/zinc/41/37/79/769413779.db2.gz NVBVYVMTKUQTEZ-KRWDZBQOSA-N 2 1 315.417 0.465 20 30 DCEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153818893 769949158 /nfs/dbraw/zinc/94/91/58/769949158.db2.gz FEHYVACWRBBLGC-CVEARBPZSA-N 2 1 319.453 0.663 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153818893 769949161 /nfs/dbraw/zinc/94/91/61/769949161.db2.gz FEHYVACWRBBLGC-CVEARBPZSA-N 2 1 319.453 0.663 20 30 DCEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153819323 769949959 /nfs/dbraw/zinc/94/99/59/769949959.db2.gz WKKAKORFNXUDLL-CVEARBPZSA-N 2 1 319.453 0.663 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153819323 769949966 /nfs/dbraw/zinc/94/99/66/769949966.db2.gz WKKAKORFNXUDLL-CVEARBPZSA-N 2 1 319.453 0.663 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCOC ZINC001153868760 769975142 /nfs/dbraw/zinc/97/51/42/769975142.db2.gz ZSJCKTGWJGRDNP-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCOC ZINC001153868760 769975150 /nfs/dbraw/zinc/97/51/50/769975150.db2.gz ZSJCKTGWJGRDNP-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCOC ZINC001153868760 769975159 /nfs/dbraw/zinc/97/51/59/769975159.db2.gz ZSJCKTGWJGRDNP-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCOC ZINC001153868760 769975173 /nfs/dbraw/zinc/97/51/73/769975173.db2.gz ZSJCKTGWJGRDNP-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001176022554 770003561 /nfs/dbraw/zinc/00/35/61/770003561.db2.gz BQFDLBIXHVRVJC-HNNXBMFYSA-N 2 1 324.469 0.342 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150626803 770179137 /nfs/dbraw/zinc/17/91/37/770179137.db2.gz ZBPTUMJPVDUISY-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626803 770179143 /nfs/dbraw/zinc/17/91/43/770179143.db2.gz ZBPTUMJPVDUISY-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626803 770179150 /nfs/dbraw/zinc/17/91/50/770179150.db2.gz ZBPTUMJPVDUISY-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178811669 770869809 /nfs/dbraw/zinc/86/98/09/770869809.db2.gz XPGYRAVDACARGJ-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178811669 770869825 /nfs/dbraw/zinc/86/98/25/770869825.db2.gz XPGYRAVDACARGJ-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179149724 770955832 /nfs/dbraw/zinc/95/58/32/770955832.db2.gz COAILZZHMRVWMX-KBPBESRZSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179856696 771026389 /nfs/dbraw/zinc/02/63/89/771026389.db2.gz HZGWEEBQSPUMLO-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001180135177 771061256 /nfs/dbraw/zinc/06/12/56/771061256.db2.gz BIDHGQRLVVQWHX-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001180331716 771106832 /nfs/dbraw/zinc/10/68/32/771106832.db2.gz MYZVURGMCMBUEJ-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001180331716 771106834 /nfs/dbraw/zinc/10/68/34/771106834.db2.gz MYZVURGMCMBUEJ-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183465406 771652653 /nfs/dbraw/zinc/65/26/53/771652653.db2.gz PNOSHTNYUGZKHE-SOLBZPMBSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183465406 771652654 /nfs/dbraw/zinc/65/26/54/771652654.db2.gz PNOSHTNYUGZKHE-SOLBZPMBSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnc(C)nc1 ZINC001160209384 772009412 /nfs/dbraw/zinc/00/94/12/772009412.db2.gz KIAGDNPWGAKHGQ-INIZCTEOSA-N 2 1 315.421 0.479 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnc(C)nc1 ZINC001160209384 772009417 /nfs/dbraw/zinc/00/94/17/772009417.db2.gz KIAGDNPWGAKHGQ-INIZCTEOSA-N 2 1 315.421 0.479 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC12CCOCC2 ZINC001186553958 772054284 /nfs/dbraw/zinc/05/42/84/772054284.db2.gz YUTPAHRRRUBNIN-HOTGVXAUSA-N 2 1 319.449 0.416 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001161042079 772156453 /nfs/dbraw/zinc/15/64/53/772156453.db2.gz NTUPPWLMPRRVCC-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162603879 772396460 /nfs/dbraw/zinc/39/64/60/772396460.db2.gz AUOCPGDPFASPJH-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001189151157 772429611 /nfs/dbraw/zinc/42/96/11/772429611.db2.gz ANRGVUKTGDZZEM-HRCADAONSA-N 2 1 307.438 0.509 20 30 DCEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001189151157 772429613 /nfs/dbraw/zinc/42/96/13/772429613.db2.gz ANRGVUKTGDZZEM-HRCADAONSA-N 2 1 307.438 0.509 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699913 772448465 /nfs/dbraw/zinc/44/84/65/772448465.db2.gz WYPZUJJWSMQDHU-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001190221639 772602997 /nfs/dbraw/zinc/60/29/97/772602997.db2.gz IOIBBSGXBFPMGO-HNNXBMFYSA-N 2 1 317.437 0.614 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001164449310 772660222 /nfs/dbraw/zinc/66/02/22/772660222.db2.gz HKPADVIUODLLAC-HNNXBMFYSA-N 2 1 324.469 0.507 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030575 772860426 /nfs/dbraw/zinc/86/04/26/772860426.db2.gz RUOAJTBERYHVND-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948009 772977296 /nfs/dbraw/zinc/97/72/96/772977296.db2.gz NKXZPSWROHKCJD-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](C)OC)CC1 ZINC001205479685 772995064 /nfs/dbraw/zinc/99/50/64/772995064.db2.gz SLUIRZUOMTUNGW-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](C)OC)CC1 ZINC001205479685 772995066 /nfs/dbraw/zinc/99/50/66/772995066.db2.gz SLUIRZUOMTUNGW-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462793 773066710 /nfs/dbraw/zinc/06/67/10/773066710.db2.gz PULNXJQBOWUCPS-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193462793 773066713 /nfs/dbraw/zinc/06/67/13/773066713.db2.gz PULNXJQBOWUCPS-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193462793 773066714 /nfs/dbraw/zinc/06/67/14/773066714.db2.gz PULNXJQBOWUCPS-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436092 773205432 /nfs/dbraw/zinc/20/54/32/773205432.db2.gz WBEPXWYZWAKISN-OAHLLOKOSA-N 2 1 305.426 0.917 20 30 DCEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207436092 773205434 /nfs/dbraw/zinc/20/54/34/773205434.db2.gz WBEPXWYZWAKISN-OAHLLOKOSA-N 2 1 305.426 0.917 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705998 773277877 /nfs/dbraw/zinc/27/78/77/773277877.db2.gz MOKJODYDVWEMPO-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208330751 773435036 /nfs/dbraw/zinc/43/50/36/773435036.db2.gz DQPQBIKAVNCKCR-JKSUJKDBSA-N 2 1 319.453 0.970 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOCC)C1 ZINC001208356356 773441598 /nfs/dbraw/zinc/44/15/98/773441598.db2.gz PEBWASHVYPMGBR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOCC)C1 ZINC001208356356 773441600 /nfs/dbraw/zinc/44/16/00/773441600.db2.gz PEBWASHVYPMGBR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496556 773479427 /nfs/dbraw/zinc/47/94/27/773479427.db2.gz ZITBPLLUBXMENH-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496556 773479428 /nfs/dbraw/zinc/47/94/28/773479428.db2.gz ZITBPLLUBXMENH-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208591443 773503653 /nfs/dbraw/zinc/50/36/53/773503653.db2.gz WUKAQLDPQLRYBL-ARFHVFGLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208591443 773503657 /nfs/dbraw/zinc/50/36/57/773503657.db2.gz WUKAQLDPQLRYBL-ARFHVFGLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001208591443 773503660 /nfs/dbraw/zinc/50/36/60/773503660.db2.gz WUKAQLDPQLRYBL-ARFHVFGLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001208591443 773503665 /nfs/dbraw/zinc/50/36/65/773503665.db2.gz WUKAQLDPQLRYBL-ARFHVFGLSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208639390 773509051 /nfs/dbraw/zinc/50/90/51/773509051.db2.gz QHUWJSBFSJFFHI-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210812400 773741458 /nfs/dbraw/zinc/74/14/58/773741458.db2.gz ZHIGZKDFGIIPER-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197842182 773807825 /nfs/dbraw/zinc/80/78/25/773807825.db2.gz YNRYOOLWRTUPLB-GDBMZVCRSA-N 2 1 318.421 0.889 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197842182 773807830 /nfs/dbraw/zinc/80/78/30/773807830.db2.gz YNRYOOLWRTUPLB-GDBMZVCRSA-N 2 1 318.421 0.889 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819900 773812733 /nfs/dbraw/zinc/81/27/33/773812733.db2.gz QBISHRAFAYUZEQ-RBSFLKMASA-N 2 1 307.438 0.598 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCO1 ZINC001200687956 774389670 /nfs/dbraw/zinc/38/96/70/774389670.db2.gz IMWSCDUSYZJRNC-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=C)C)C1 ZINC001200721166 774397655 /nfs/dbraw/zinc/39/76/55/774397655.db2.gz IKBINLYFUFEABZ-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=C)C)C1 ZINC001200721166 774397663 /nfs/dbraw/zinc/39/76/63/774397663.db2.gz IKBINLYFUFEABZ-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200983491 774437266 /nfs/dbraw/zinc/43/72/66/774437266.db2.gz PXYUSOFMQVVJBA-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)OC)CC1 ZINC001201093496 774445315 /nfs/dbraw/zinc/44/53/15/774445315.db2.gz AFJHQNMKJNLKOI-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)OC)CC1 ZINC001201093496 774445317 /nfs/dbraw/zinc/44/53/17/774445317.db2.gz AFJHQNMKJNLKOI-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219866813 774631889 /nfs/dbraw/zinc/63/18/89/774631889.db2.gz AERZJAZDBJYFHW-CVEARBPZSA-N 2 1 321.465 0.990 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114404802 774841188 /nfs/dbraw/zinc/84/11/88/774841188.db2.gz HSAYILMJFMYBBV-FICVDOATSA-N 2 1 305.422 0.167 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220868224 774940353 /nfs/dbraw/zinc/94/03/53/774940353.db2.gz FFGRVIHYPAZFME-IKGGRYGDSA-N 2 1 320.481 0.827 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091081 774993438 /nfs/dbraw/zinc/99/34/38/774993438.db2.gz AYFIXQFINHUDLY-OWCLPIDISA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091081 774993441 /nfs/dbraw/zinc/99/34/41/774993441.db2.gz AYFIXQFINHUDLY-OWCLPIDISA-N 2 1 307.438 0.291 20 30 DCEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001221461394 775112626 /nfs/dbraw/zinc/11/26/26/775112626.db2.gz ISIAPTZXMCRMJR-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001221461394 775112629 /nfs/dbraw/zinc/11/26/29/775112629.db2.gz ISIAPTZXMCRMJR-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001221461394 775112634 /nfs/dbraw/zinc/11/26/34/775112634.db2.gz ISIAPTZXMCRMJR-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001221461394 775112637 /nfs/dbraw/zinc/11/26/37/775112637.db2.gz ISIAPTZXMCRMJR-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430512 775490792 /nfs/dbraw/zinc/49/07/92/775490792.db2.gz MGLLENWLYREMBK-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227793006 776007430 /nfs/dbraw/zinc/00/74/30/776007430.db2.gz XEOKFBFTJJHPHJ-UHFFFAOYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001229185206 776166629 /nfs/dbraw/zinc/16/66/29/776166629.db2.gz IQVCTKMGHQBGNM-HOCLYGCPSA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229692899 776213930 /nfs/dbraw/zinc/21/39/30/776213930.db2.gz MKXNKWRNCUTCJP-GVDBMIGSSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001230613463 776352580 /nfs/dbraw/zinc/35/25/80/776352580.db2.gz ODCGYFCLZZSKIH-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001266347939 939086751 /nfs/dbraw/zinc/08/67/51/939086751.db2.gz TXKDVKAHSPBJNW-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001266347938 939086775 /nfs/dbraw/zinc/08/67/75/939086775.db2.gz TXKDVKAHSPBJNW-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266439578 939118567 /nfs/dbraw/zinc/11/85/67/939118567.db2.gz RLRBONGOEMVCRX-GDBMZVCRSA-N 2 1 307.438 0.462 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001266481280 939130763 /nfs/dbraw/zinc/13/07/63/939130763.db2.gz NJGGQNXGUQYHDG-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001266481280 939130765 /nfs/dbraw/zinc/13/07/65/939130765.db2.gz NJGGQNXGUQYHDG-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001266481280 939130768 /nfs/dbraw/zinc/13/07/68/939130768.db2.gz NJGGQNXGUQYHDG-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001266481280 939130770 /nfs/dbraw/zinc/13/07/70/939130770.db2.gz NJGGQNXGUQYHDG-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266546333 939159103 /nfs/dbraw/zinc/15/91/03/939159103.db2.gz TXJXWOYHQOCYBN-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266546333 939159106 /nfs/dbraw/zinc/15/91/06/939159106.db2.gz TXJXWOYHQOCYBN-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266546333 939159108 /nfs/dbraw/zinc/15/91/08/939159108.db2.gz TXJXWOYHQOCYBN-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266549905 939160601 /nfs/dbraw/zinc/16/06/01/939160601.db2.gz MWHVPBDYQHJJOJ-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267194505 939381531 /nfs/dbraw/zinc/38/15/31/939381531.db2.gz QXMYGNSVYMZANN-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267272876 939411499 /nfs/dbraw/zinc/41/14/99/939411499.db2.gz ACPPABIUQHNIBU-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267453455 939459575 /nfs/dbraw/zinc/45/95/75/939459575.db2.gz CMRWQUJMVXIKRO-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267481818 939473988 /nfs/dbraw/zinc/47/39/88/939473988.db2.gz LTBWVICOLHVRSD-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267481818 939473990 /nfs/dbraw/zinc/47/39/90/939473990.db2.gz LTBWVICOLHVRSD-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001481177945 939596867 /nfs/dbraw/zinc/59/68/67/939596867.db2.gz LNGBORWBJBAQMR-UHFFFAOYSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001481177945 939596868 /nfs/dbraw/zinc/59/68/68/939596868.db2.gz LNGBORWBJBAQMR-UHFFFAOYSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267682046 939624509 /nfs/dbraw/zinc/62/45/09/939624509.db2.gz TVLWEUCQEHVXQN-MRXNPFEDSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267682046 939624511 /nfs/dbraw/zinc/62/45/11/939624511.db2.gz TVLWEUCQEHVXQN-MRXNPFEDSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1coc(C)n1 ZINC001482110150 940260859 /nfs/dbraw/zinc/26/08/59/940260859.db2.gz MUNLPFQCICGNEQ-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1coc(C)n1 ZINC001482110150 940260862 /nfs/dbraw/zinc/26/08/62/940260862.db2.gz MUNLPFQCICGNEQ-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cn1 ZINC001268648844 940316826 /nfs/dbraw/zinc/31/68/26/940316826.db2.gz YRWICSFHOKUKSV-CJNGLKHVSA-N 2 1 318.396 0.913 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cn1 ZINC001268648844 940316829 /nfs/dbraw/zinc/31/68/29/940316829.db2.gz YRWICSFHOKUKSV-CJNGLKHVSA-N 2 1 318.396 0.913 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001268900478 940401980 /nfs/dbraw/zinc/40/19/80/940401980.db2.gz HRWCHGKIDPHCEF-DZGCQCFKSA-N 2 1 324.469 0.311 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001269039266 940599254 /nfs/dbraw/zinc/59/92/54/940599254.db2.gz SISLVORJCIVEBS-RRFJBIMHSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001269039266 940599258 /nfs/dbraw/zinc/59/92/58/940599258.db2.gz SISLVORJCIVEBS-RRFJBIMHSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001269065560 940608054 /nfs/dbraw/zinc/60/80/54/940608054.db2.gz SISLVORJCIVEBS-SOUVJXGZSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001269065560 940608057 /nfs/dbraw/zinc/60/80/57/940608057.db2.gz SISLVORJCIVEBS-SOUVJXGZSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001269388136 940697552 /nfs/dbraw/zinc/69/75/52/940697552.db2.gz GOHGLVGUBDVGQY-UONOGXRCSA-N 2 1 320.437 0.106 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCOC ZINC001270222010 940860360 /nfs/dbraw/zinc/86/03/60/940860360.db2.gz NSDRMGQPVQMGLC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCOC ZINC001270222010 940860361 /nfs/dbraw/zinc/86/03/61/940860361.db2.gz NSDRMGQPVQMGLC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001270778112 940986863 /nfs/dbraw/zinc/98/68/63/940986863.db2.gz YCCVYAFLSLYNGG-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001482531599 941460375 /nfs/dbraw/zinc/46/03/75/941460375.db2.gz AZUOTWFLBVAPJC-MRXNPFEDSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001271987670 941501291 /nfs/dbraw/zinc/50/12/91/941501291.db2.gz KENVFAQKNOJGLW-KRWDZBQOSA-N 2 1 307.438 0.601 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001482799228 941675198 /nfs/dbraw/zinc/67/51/98/941675198.db2.gz NYAULVQBKJKRKB-JKSUJKDBSA-N 2 1 303.406 0.379 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077443936 942458347 /nfs/dbraw/zinc/45/83/47/942458347.db2.gz CXEDJMQJLHJAOW-ZACQAIPSSA-N 2 1 321.465 0.988 20 30 DCEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001484147049 943164677 /nfs/dbraw/zinc/16/46/77/943164677.db2.gz MEQZOVLQVRWMOV-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001484147049 943164680 /nfs/dbraw/zinc/16/46/80/943164680.db2.gz MEQZOVLQVRWMOV-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001484983306 943643432 /nfs/dbraw/zinc/64/34/32/943643432.db2.gz VRXGRWQUFVZOOR-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001484988056 943645186 /nfs/dbraw/zinc/64/51/86/943645186.db2.gz OIEWMGRCVLAAGV-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001484988056 943645188 /nfs/dbraw/zinc/64/51/88/943645188.db2.gz OIEWMGRCVLAAGV-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485077079 943684333 /nfs/dbraw/zinc/68/43/33/943684333.db2.gz QSJDAJUGWBUVEX-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485077079 943684334 /nfs/dbraw/zinc/68/43/34/943684334.db2.gz QSJDAJUGWBUVEX-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCn1cccn1 ZINC001491486685 944035812 /nfs/dbraw/zinc/03/58/12/944035812.db2.gz NGDKMDSBVWHGPA-GJZGRUSLSA-N 2 1 303.410 0.075 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCn1cccn1 ZINC001491486685 944035822 /nfs/dbraw/zinc/03/58/22/944035822.db2.gz NGDKMDSBVWHGPA-GJZGRUSLSA-N 2 1 303.410 0.075 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001485814173 944161569 /nfs/dbraw/zinc/16/15/69/944161569.db2.gz QCRQDJNSXAZBJA-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP Cn1cc(C[N@H+]2CCC3(CN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001276463158 944180417 /nfs/dbraw/zinc/18/04/17/944180417.db2.gz CEXNOKALVSFGRP-UHFFFAOYSA-N 2 1 301.438 0.966 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001276928157 944597782 /nfs/dbraw/zinc/59/77/82/944597782.db2.gz JPELCEPULKYXNG-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001277080042 944654507 /nfs/dbraw/zinc/65/45/07/944654507.db2.gz ONFLKXYCIFWLHH-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001317416292 944961250 /nfs/dbraw/zinc/96/12/50/944961250.db2.gz TWBQWVHXCDWLPF-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001277819713 944992686 /nfs/dbraw/zinc/99/26/86/944992686.db2.gz QAPWMTLLLKIJOV-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CCN[C@H](C#N)C2)CCC12C[NH2+]C2 ZINC001247008242 945539587 /nfs/dbraw/zinc/53/95/87/945539587.db2.gz MUNLIWWMIUKYRN-IHRRRGAJSA-N 2 1 306.410 0.105 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001278608358 945683419 /nfs/dbraw/zinc/68/34/19/945683419.db2.gz LADMAEUCAHNAFP-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CCOC[C@@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001251835842 945789539 /nfs/dbraw/zinc/78/95/39/945789539.db2.gz PZNMOSVBQRMMPP-ROUUACIJSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001251835842 945789542 /nfs/dbraw/zinc/78/95/42/945789542.db2.gz PZNMOSVBQRMMPP-ROUUACIJSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@@H](O)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001251835842 945789547 /nfs/dbraw/zinc/78/95/47/945789547.db2.gz PZNMOSVBQRMMPP-ROUUACIJSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001251835842 945789551 /nfs/dbraw/zinc/78/95/51/945789551.db2.gz PZNMOSVBQRMMPP-ROUUACIJSA-N 2 1 324.465 0.820 20 30 DCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001253576987 946131232 /nfs/dbraw/zinc/13/12/32/946131232.db2.gz JMQDTIWRZBECAI-KZNAEPCWSA-N 2 1 323.481 0.794 20 30 DCEDMP C=C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001253576987 946131237 /nfs/dbraw/zinc/13/12/37/946131237.db2.gz JMQDTIWRZBECAI-KZNAEPCWSA-N 2 1 323.481 0.794 20 30 DCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001253576987 946131241 /nfs/dbraw/zinc/13/12/41/946131241.db2.gz JMQDTIWRZBECAI-KZNAEPCWSA-N 2 1 323.481 0.794 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001278828824 946453252 /nfs/dbraw/zinc/45/32/52/946453252.db2.gz QVPCYRWUNPIIPO-KRWDZBQOSA-N 2 1 307.438 0.439 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001279035209 946754121 /nfs/dbraw/zinc/75/41/21/946754121.db2.gz SLWGQXLXMJGDLU-HUUCEWRRSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001279035209 946754125 /nfs/dbraw/zinc/75/41/25/946754125.db2.gz SLWGQXLXMJGDLU-HUUCEWRRSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1CC)CCOC ZINC001279056377 946773601 /nfs/dbraw/zinc/77/36/01/946773601.db2.gz ZVVUSNQBFNDXER-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001323541569 947119247 /nfs/dbraw/zinc/11/92/47/947119247.db2.gz JNBXDJUSKRVDLR-ZIAGYGMSSA-N 2 1 322.453 0.257 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001325784754 947922444 /nfs/dbraw/zinc/92/24/44/947922444.db2.gz XDGBKGXPXRYFLT-MRXNPFEDSA-N 2 1 306.454 0.274 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001326436357 948162729 /nfs/dbraw/zinc/16/27/29/948162729.db2.gz CLJOLSQHEJFPAW-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001327148942 948407143 /nfs/dbraw/zinc/40/71/43/948407143.db2.gz WORBHDDHNLLAJA-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]CC#CCOC)CC1 ZINC001328038610 948696339 /nfs/dbraw/zinc/69/63/39/948696339.db2.gz KONJGVHTENLFDP-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC#CCOC ZINC001264067769 948858583 /nfs/dbraw/zinc/85/85/83/948858583.db2.gz QKFHYRAGOAAPIR-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC#CCOC ZINC001264067769 948858594 /nfs/dbraw/zinc/85/85/94/948858594.db2.gz QKFHYRAGOAAPIR-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC#CCOC ZINC001264067769 948858607 /nfs/dbraw/zinc/85/86/07/948858607.db2.gz QKFHYRAGOAAPIR-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001264623488 949034749 /nfs/dbraw/zinc/03/47/49/949034749.db2.gz CIXFZEPXSIJJPK-RRFJBIMHSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001264623488 949034770 /nfs/dbraw/zinc/03/47/70/949034770.db2.gz CIXFZEPXSIJJPK-RRFJBIMHSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001328795268 949101107 /nfs/dbraw/zinc/10/11/07/949101107.db2.gz AKUZOSHJMBXIHE-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001328954937 949232483 /nfs/dbraw/zinc/23/24/83/949232483.db2.gz LNYQYTNPWPFKCZ-UHFFFAOYSA-N 2 1 304.394 0.326 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001489291461 949671780 /nfs/dbraw/zinc/67/17/80/949671780.db2.gz LMDMYPZVBISVJS-XHSDSOJGSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001489291461 949671794 /nfs/dbraw/zinc/67/17/94/949671794.db2.gz LMDMYPZVBISVJS-XHSDSOJGSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001489291461 949671803 /nfs/dbraw/zinc/67/18/03/949671803.db2.gz LMDMYPZVBISVJS-XHSDSOJGSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001489291461 949671812 /nfs/dbraw/zinc/67/18/12/949671812.db2.gz LMDMYPZVBISVJS-XHSDSOJGSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001329657240 949756645 /nfs/dbraw/zinc/75/66/45/949756645.db2.gz XCURAOJKMZPHPI-INIZCTEOSA-N 2 1 321.465 0.847 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001265544306 949758489 /nfs/dbraw/zinc/75/84/89/949758489.db2.gz HFWBCCNXPNQAPU-YVSFHVDLSA-N 2 1 319.449 0.890 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265597519 949804113 /nfs/dbraw/zinc/80/41/13/949804113.db2.gz ZWOLTBIIFLOHFD-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001265597519 949804136 /nfs/dbraw/zinc/80/41/36/949804136.db2.gz ZWOLTBIIFLOHFD-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265597519 949804159 /nfs/dbraw/zinc/80/41/59/949804159.db2.gz ZWOLTBIIFLOHFD-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265615499 949817351 /nfs/dbraw/zinc/81/73/51/949817351.db2.gz IOSJMIFFWJABTP-ZDUSSCGKSA-N 2 1 304.394 0.811 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001330014854 950057329 /nfs/dbraw/zinc/05/73/29/950057329.db2.gz ZBOYBDLGYOFYHC-OAHLLOKOSA-N 2 1 319.449 0.701 20 30 DCEDMP C[NH+]1CCN(C2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)CC1 ZINC001330640986 950567174 /nfs/dbraw/zinc/56/71/74/950567174.db2.gz OYTOVVULCSCEMY-UHFFFAOYSA-N 2 1 318.465 0.228 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001279508491 950608547 /nfs/dbraw/zinc/60/85/47/950608547.db2.gz DGHKNEKBLSUSMU-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001279508491 950608565 /nfs/dbraw/zinc/60/85/65/950608565.db2.gz DGHKNEKBLSUSMU-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001279508491 950608615 /nfs/dbraw/zinc/60/86/15/950608615.db2.gz DGHKNEKBLSUSMU-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001279508491 950608632 /nfs/dbraw/zinc/60/86/32/950608632.db2.gz DGHKNEKBLSUSMU-ZOBUZTSGSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490469817 950710510 /nfs/dbraw/zinc/71/05/10/950710510.db2.gz JZRVDTPKYAPHQK-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001280095972 950770797 /nfs/dbraw/zinc/77/07/97/950770797.db2.gz SKSVVXJVHNVAHI-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001490515578 950841978 /nfs/dbraw/zinc/84/19/78/950841978.db2.gz CRZXJQGPRXYNRO-UHFFFAOYSA-N 2 1 320.481 0.620 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001281612817 951563970 /nfs/dbraw/zinc/56/39/70/951563970.db2.gz JELKPJCZYUEZRO-MRXNPFEDSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001281675567 951597106 /nfs/dbraw/zinc/59/71/06/951597106.db2.gz MLBARDASHVOFCW-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274444137 951635589 /nfs/dbraw/zinc/63/55/89/951635589.db2.gz BJDSTYIOBKJZPI-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274444137 951635593 /nfs/dbraw/zinc/63/55/93/951635593.db2.gz BJDSTYIOBKJZPI-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001332649156 951744036 /nfs/dbraw/zinc/74/40/36/951744036.db2.gz ZDZZTPQIKQWDHG-HNNXBMFYSA-N 2 1 307.438 0.389 20 30 DCEDMP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001333207175 951959170 /nfs/dbraw/zinc/95/91/70/951959170.db2.gz QULQTIHEPBZUFG-ZDUSSCGKSA-N 2 1 303.834 0.898 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC001275729802 952411679 /nfs/dbraw/zinc/41/16/79/952411679.db2.gz PHYZFTDJMNIHEJ-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001336894217 952781494 /nfs/dbraw/zinc/78/14/94/952781494.db2.gz MNJXLHFQKPOAND-NWDGAFQWSA-N 2 1 320.359 0.863 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341189885 953216038 /nfs/dbraw/zinc/21/60/38/953216038.db2.gz CTABJUOXMROWAU-ZDUSSCGKSA-N 2 1 302.850 0.648 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)NCCCCC[NH+]1CCNCC1 ZINC001342598813 953297539 /nfs/dbraw/zinc/29/75/39/953297539.db2.gz XRWHBXRKPJMRRY-UHFFFAOYSA-N 2 1 306.454 0.181 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001282193431 953519085 /nfs/dbraw/zinc/51/90/85/953519085.db2.gz QQPXTMTYAYTRTD-ZIAGYGMSSA-N 2 1 324.469 0.197 20 30 DCEDMP C#CC[NH2+]CC(=O)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001345190108 953611932 /nfs/dbraw/zinc/61/19/32/953611932.db2.gz DAPRQGXALQSGDO-GJZGRUSLSA-N 2 1 313.401 0.718 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001282812740 953684821 /nfs/dbraw/zinc/68/48/21/953684821.db2.gz YJNMHDMIAKHDIJ-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001282812740 953684829 /nfs/dbraw/zinc/68/48/29/953684829.db2.gz YJNMHDMIAKHDIJ-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001282812740 953684839 /nfs/dbraw/zinc/68/48/39/953684839.db2.gz YJNMHDMIAKHDIJ-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001282812740 953684845 /nfs/dbraw/zinc/68/48/45/953684845.db2.gz YJNMHDMIAKHDIJ-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001282909351 953749790 /nfs/dbraw/zinc/74/97/90/953749790.db2.gz ABLFSFMDVDITFW-CABCVRRESA-N 2 1 304.394 0.420 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001316765278 960320626 /nfs/dbraw/zinc/32/06/26/960320626.db2.gz MYKKLJGAKZIDIB-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001316765278 960320639 /nfs/dbraw/zinc/32/06/39/960320639.db2.gz MYKKLJGAKZIDIB-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001316765278 960320649 /nfs/dbraw/zinc/32/06/49/960320649.db2.gz MYKKLJGAKZIDIB-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001316958745 960327281 /nfs/dbraw/zinc/32/72/81/960327281.db2.gz IHUDSQHDVLGMAD-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C=C(Cl)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001449188060 1014280303 /nfs/dbraw/zinc/28/03/03/1014280303.db2.gz JJZHNGLITZRELR-MGPQQGTHSA-N 2 1 317.861 0.830 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001449188060 1014280313 /nfs/dbraw/zinc/28/03/13/1014280313.db2.gz JJZHNGLITZRELR-MGPQQGTHSA-N 2 1 317.861 0.830 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001449188060 1014280321 /nfs/dbraw/zinc/28/03/21/1014280321.db2.gz JJZHNGLITZRELR-MGPQQGTHSA-N 2 1 317.861 0.830 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001449188060 1014280331 /nfs/dbraw/zinc/28/03/31/1014280331.db2.gz JJZHNGLITZRELR-MGPQQGTHSA-N 2 1 317.861 0.830 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001449188060 1014280341 /nfs/dbraw/zinc/28/03/41/1014280341.db2.gz JJZHNGLITZRELR-MGPQQGTHSA-N 2 1 317.861 0.830 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001502869399 1016110070 /nfs/dbraw/zinc/11/00/70/1016110070.db2.gz ODWXYBBORQVLRO-OAHLLOKOSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001507207151 1016124427 /nfs/dbraw/zinc/12/44/27/1016124427.db2.gz HBMWOEQJDGUKNO-HOCLYGCPSA-N 2 1 307.438 0.483 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001420176557 1001978173 /nfs/dbraw/zinc/97/81/73/1001978173.db2.gz UPNHXIXFCPLUIE-GFCCVEGCSA-N 2 1 305.850 0.784 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001403917347 1002741596 /nfs/dbraw/zinc/74/15/96/1002741596.db2.gz VBMFVALJAIXRQX-CYBMUJFWSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001403917347 1002741603 /nfs/dbraw/zinc/74/16/03/1002741603.db2.gz VBMFVALJAIXRQX-CYBMUJFWSA-N 2 1 317.861 0.832 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001508178225 1016686889 /nfs/dbraw/zinc/68/68/89/1016686889.db2.gz KMYWTJFWXPGSDD-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492951622 1003651595 /nfs/dbraw/zinc/65/15/95/1003651595.db2.gz DYKKFUHSGDBUOV-OAHLLOKOSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492951622 1003651596 /nfs/dbraw/zinc/65/15/96/1003651596.db2.gz DYKKFUHSGDBUOV-OAHLLOKOSA-N 2 1 322.453 0.069 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001479301865 1017484752 /nfs/dbraw/zinc/48/47/52/1017484752.db2.gz WRJSROSGKYEXID-WCVJEAGWSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001479301865 1017484760 /nfs/dbraw/zinc/48/47/60/1017484760.db2.gz WRJSROSGKYEXID-WCVJEAGWSA-N 2 1 307.438 0.603 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001479931082 1017995356 /nfs/dbraw/zinc/99/53/56/1017995356.db2.gz QNPLONIZIZNATD-QGZVFWFLSA-N 2 1 320.481 0.616 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001479931082 1017995363 /nfs/dbraw/zinc/99/53/63/1017995363.db2.gz QNPLONIZIZNATD-QGZVFWFLSA-N 2 1 320.481 0.616 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001500169309 1018269340 /nfs/dbraw/zinc/26/93/40/1018269340.db2.gz ITXKZNAFFUMLHL-INIZCTEOSA-N 2 1 308.470 0.731 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001500169309 1018269346 /nfs/dbraw/zinc/26/93/46/1018269346.db2.gz ITXKZNAFFUMLHL-INIZCTEOSA-N 2 1 308.470 0.731 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001500169309 1018269355 /nfs/dbraw/zinc/26/93/55/1018269355.db2.gz ITXKZNAFFUMLHL-INIZCTEOSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001480737642 1018842441 /nfs/dbraw/zinc/84/24/41/1018842441.db2.gz AOQCDKKACNHUJN-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480737642 1018842460 /nfs/dbraw/zinc/84/24/60/1018842460.db2.gz AOQCDKKACNHUJN-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001480737642 1018842476 /nfs/dbraw/zinc/84/24/76/1018842476.db2.gz AOQCDKKACNHUJN-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001480737642 1018842495 /nfs/dbraw/zinc/84/24/95/1018842495.db2.gz AOQCDKKACNHUJN-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314405 1018940253 /nfs/dbraw/zinc/94/02/53/1018940253.db2.gz SFCBHUAKFUDDEC-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314405 1018940263 /nfs/dbraw/zinc/94/02/63/1018940263.db2.gz SFCBHUAKFUDDEC-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314405 1018940279 /nfs/dbraw/zinc/94/02/79/1018940279.db2.gz SFCBHUAKFUDDEC-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314405 1018940293 /nfs/dbraw/zinc/94/02/93/1018940293.db2.gz SFCBHUAKFUDDEC-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493238690 1019234775 /nfs/dbraw/zinc/23/47/75/1019234775.db2.gz CZEZNHUAABOAMB-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC001502095051 1019710391 /nfs/dbraw/zinc/71/03/91/1019710391.db2.gz SNACXXYSJUHZNA-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001502095051 1019710401 /nfs/dbraw/zinc/71/04/01/1019710401.db2.gz SNACXXYSJUHZNA-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)c1ccccc1 ZINC000264143676 238193275 /nfs/dbraw/zinc/19/32/75/238193275.db2.gz XHQAWDCTDFSHPH-HNNXBMFYSA-N 2 1 306.410 0.347 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130551933 395923490 /nfs/dbraw/zinc/92/34/90/395923490.db2.gz MRUPJKICWSRXMN-GFCCVEGCSA-N 2 1 307.398 0.914 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130551933 395923492 /nfs/dbraw/zinc/92/34/92/395923492.db2.gz MRUPJKICWSRXMN-GFCCVEGCSA-N 2 1 307.398 0.914 20 30 DCEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719435 397283552 /nfs/dbraw/zinc/28/35/52/397283552.db2.gz IFUKXGXTBHIECP-CABCVRRESA-N 2 1 324.469 0.819 20 30 DCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719435 397283555 /nfs/dbraw/zinc/28/35/55/397283555.db2.gz IFUKXGXTBHIECP-CABCVRRESA-N 2 1 324.469 0.819 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000491041325 397500220 /nfs/dbraw/zinc/50/02/20/397500220.db2.gz YMMXDDHDDUDMOC-LSDHHAIUSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000491041325 397500222 /nfs/dbraw/zinc/50/02/22/397500222.db2.gz YMMXDDHDDUDMOC-LSDHHAIUSA-N 2 1 307.438 0.245 20 30 DCEDMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000367762501 159354902 /nfs/dbraw/zinc/35/49/02/159354902.db2.gz CQXXKLZWSBXJTP-CYBMUJFWSA-N 2 1 301.394 0.785 20 30 DCEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000367762501 159354905 /nfs/dbraw/zinc/35/49/05/159354905.db2.gz CQXXKLZWSBXJTP-CYBMUJFWSA-N 2 1 301.394 0.785 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000352815867 415332556 /nfs/dbraw/zinc/33/25/56/415332556.db2.gz CGBOZBCBQXOZFA-OAHLLOKOSA-N 2 1 324.469 0.735 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000123760219 415844069 /nfs/dbraw/zinc/84/40/69/415844069.db2.gz FEHOMQYRIPQFIJ-GVDBMIGSSA-N 2 1 314.433 0.951 20 30 DCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329379747 416166914 /nfs/dbraw/zinc/16/69/14/416166914.db2.gz PNEVERAPTOZKIP-HNNXBMFYSA-N 2 1 309.458 0.363 20 30 DCEDMP C[NH+]=C(NCc1nccs1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179088102 416182724 /nfs/dbraw/zinc/18/27/24/416182724.db2.gz RBMKXCZVEHERHM-ZDUSSCGKSA-N 2 1 323.466 0.873 20 30 DCEDMP C[C@@H](NC(=O)N1CCC([NH+](C)CCO)CC1)C1=CC[N@@H+](C)CC1 ZINC000330084808 416196415 /nfs/dbraw/zinc/19/64/15/416196415.db2.gz REOFMYMUOQJTTR-CQSZACIVSA-N 2 1 324.469 0.939 20 30 DCEDMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000329329301 416163399 /nfs/dbraw/zinc/16/33/99/416163399.db2.gz YINCZVPXXCPYQD-HIFRSBDPSA-N 2 1 310.442 0.861 20 30 DCEDMP COCC[NH+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000329329301 416163402 /nfs/dbraw/zinc/16/34/02/416163402.db2.gz YINCZVPXXCPYQD-HIFRSBDPSA-N 2 1 310.442 0.861 20 30 DCEDMP COCC[NH+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000329329301 416163405 /nfs/dbraw/zinc/16/34/05/416163405.db2.gz YINCZVPXXCPYQD-HIFRSBDPSA-N 2 1 310.442 0.861 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000184408250 416253053 /nfs/dbraw/zinc/25/30/53/416253053.db2.gz GYAORTVVUYLWHV-MRXNPFEDSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000491349008 416596654 /nfs/dbraw/zinc/59/66/54/416596654.db2.gz GCIGOIJMCOBABX-UHFFFAOYSA-N 2 1 322.497 0.674 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000491349008 416596658 /nfs/dbraw/zinc/59/66/58/416596658.db2.gz GCIGOIJMCOBABX-UHFFFAOYSA-N 2 1 322.497 0.674 20 30 DCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424154720 416617564 /nfs/dbraw/zinc/61/75/64/416617564.db2.gz LTUULTHHNOOUJG-UONOGXRCSA-N 2 1 323.441 0.066 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000491741461 416621763 /nfs/dbraw/zinc/62/17/63/416621763.db2.gz IMNINTKMVJVBJA-HUUCEWRRSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000491741461 416621768 /nfs/dbraw/zinc/62/17/68/416621768.db2.gz IMNINTKMVJVBJA-HUUCEWRRSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000491741461 416621771 /nfs/dbraw/zinc/62/17/71/416621771.db2.gz IMNINTKMVJVBJA-HUUCEWRRSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000491750677 416624140 /nfs/dbraw/zinc/62/41/40/416624140.db2.gz WXKGRLZDEZOLKO-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000564081912 416889888 /nfs/dbraw/zinc/88/98/88/416889888.db2.gz NRGWFCDHNDLAIV-KKUMJFAQSA-N 2 1 308.426 0.767 20 30 DCEDMP C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662168128 418386232 /nfs/dbraw/zinc/38/62/32/418386232.db2.gz UWFILAPKBMMEDZ-UAGQMJEPSA-N 2 1 317.433 0.902 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(NC[C@@]1(O)CCSC1)=[NH+]C ZINC000262432708 276170623 /nfs/dbraw/zinc/17/06/23/276170623.db2.gz SRGISINKELQNAT-OCCSQVGLSA-N 2 1 300.472 0.504 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000491475139 333104182 /nfs/dbraw/zinc/10/41/82/333104182.db2.gz UBGIKXLZBGTXOU-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C[NH+]=C(NCc1ccnn1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261631986 333829119 /nfs/dbraw/zinc/82/91/19/333829119.db2.gz CLCLMZHEIPPBSS-AWEZNQCLSA-N 2 1 320.441 0.150 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000352903111 336375517 /nfs/dbraw/zinc/37/55/17/336375517.db2.gz YCVZBIVBWQZMTF-HUUCEWRRSA-N 2 1 324.469 0.733 20 30 DCEDMP C=CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000516315635 338009624 /nfs/dbraw/zinc/00/96/24/338009624.db2.gz QHKLHHCYJGXTHL-GDBMZVCRSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000516315635 338009625 /nfs/dbraw/zinc/00/96/25/338009625.db2.gz QHKLHHCYJGXTHL-GDBMZVCRSA-N 2 1 301.390 0.995 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000303778039 340346145 /nfs/dbraw/zinc/34/61/45/340346145.db2.gz JHGBTABSAFOIPS-GFCCVEGCSA-N 2 1 313.446 0.900 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C[C@H]1CCOC1 ZINC001566462238 1159991051 /nfs/dbraw/zinc/99/10/51/1159991051.db2.gz QMBKCFPDHKILMP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C[C@H]1CCOC1 ZINC001566462238 1159991057 /nfs/dbraw/zinc/99/10/57/1159991057.db2.gz QMBKCFPDHKILMP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C[C@H]1CCOC1 ZINC001566462238 1159991064 /nfs/dbraw/zinc/99/10/64/1159991064.db2.gz QMBKCFPDHKILMP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C[C@H]1CCOC1 ZINC001566462238 1159991070 /nfs/dbraw/zinc/99/10/70/1159991070.db2.gz QMBKCFPDHKILMP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567409417 1160356012 /nfs/dbraw/zinc/35/60/12/1160356012.db2.gz HIGOMNWISPUGQB-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567409417 1160356020 /nfs/dbraw/zinc/35/60/20/1160356020.db2.gz HIGOMNWISPUGQB-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567409417 1160356027 /nfs/dbraw/zinc/35/60/27/1160356027.db2.gz HIGOMNWISPUGQB-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001567449458 1160369600 /nfs/dbraw/zinc/36/96/00/1160369600.db2.gz YNIVRJWGWAFYJT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569117866 1160950397 /nfs/dbraw/zinc/95/03/97/1160950397.db2.gz JYDKCLCNSCADAT-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569117866 1160950402 /nfs/dbraw/zinc/95/04/02/1160950402.db2.gz JYDKCLCNSCADAT-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569117866 1160950404 /nfs/dbraw/zinc/95/04/04/1160950404.db2.gz JYDKCLCNSCADAT-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569117866 1160950407 /nfs/dbraw/zinc/95/04/07/1160950407.db2.gz JYDKCLCNSCADAT-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569117866 1160950411 /nfs/dbraw/zinc/95/04/11/1160950411.db2.gz JYDKCLCNSCADAT-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001569577344 1161153768 /nfs/dbraw/zinc/15/37/68/1161153768.db2.gz OMZVBSUAONUHBQ-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001569899908 1161304512 /nfs/dbraw/zinc/30/45/12/1161304512.db2.gz DMJTZJNOKKWARD-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001569899908 1161304520 /nfs/dbraw/zinc/30/45/20/1161304520.db2.gz DMJTZJNOKKWARD-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCCO1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262445912 526370152 /nfs/dbraw/zinc/37/01/52/526370152.db2.gz PMEJTMHJJUUYTL-GXTWGEPZSA-N 2 1 300.472 0.768 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175577012 526371356 /nfs/dbraw/zinc/37/13/56/526371356.db2.gz MZAYHYDLJSHTLP-KBPBESRZSA-N 2 1 304.442 0.737 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCO[C@H](COC)C1 ZINC000261764447 526371487 /nfs/dbraw/zinc/37/14/87/526371487.db2.gz DFUXHLOGAIWQJL-ZFWWWQNUSA-N 2 1 310.442 0.393 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC)c1 ZINC000264090623 529100553 /nfs/dbraw/zinc/10/05/53/529100553.db2.gz KVYOIJSOFJUNLJ-HNNXBMFYSA-N 2 1 317.437 0.935 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001672496725 1175117853 /nfs/dbraw/zinc/11/78/53/1175117853.db2.gz YCMDWLONLBMOTH-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC000980454772 660945555 /nfs/dbraw/zinc/94/55/55/660945555.db2.gz YVXSJLCINMIURG-CVEARBPZSA-N 2 1 305.422 0.263 20 30 DCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208506 661101500 /nfs/dbraw/zinc/10/15/00/661101500.db2.gz ALBXCHFHGJDIEB-HOTGVXAUSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208506 661101501 /nfs/dbraw/zinc/10/15/01/661101501.db2.gz ALBXCHFHGJDIEB-HOTGVXAUSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981208506 661101502 /nfs/dbraw/zinc/10/15/02/661101502.db2.gz ALBXCHFHGJDIEB-HOTGVXAUSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981208506 661101503 /nfs/dbraw/zinc/10/15/03/661101503.db2.gz ALBXCHFHGJDIEB-HOTGVXAUSA-N 2 1 305.422 0.407 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028093523 661153076 /nfs/dbraw/zinc/15/30/76/661153076.db2.gz MRKGKZFVFUGWGC-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093523 661153078 /nfs/dbraw/zinc/15/30/78/661153078.db2.gz MRKGKZFVFUGWGC-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001028093523 661153080 /nfs/dbraw/zinc/15/30/80/661153080.db2.gz MRKGKZFVFUGWGC-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772014 661214204 /nfs/dbraw/zinc/21/42/04/661214204.db2.gz JOIQQMYRBJHRAW-MRXNPFEDSA-N 2 1 301.434 0.886 20 30 DCEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244451 657490324 /nfs/dbraw/zinc/49/03/24/657490324.db2.gz HTBOAWYYBIHDDU-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccon3)C2)CC1 ZINC001023127933 657539274 /nfs/dbraw/zinc/53/92/74/657539274.db2.gz JPZMKGUKGIPOEC-IYBDPMFKSA-N 2 1 316.405 0.757 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C[NH+](C)C)OCC)C1 ZINC000924037832 657675179 /nfs/dbraw/zinc/67/51/79/657675179.db2.gz VLYWHRZMYCACTO-CABCVRRESA-N 2 1 310.442 0.350 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C[NH+](C)C)OCC)C1 ZINC000924037832 657675181 /nfs/dbraw/zinc/67/51/81/657675181.db2.gz VLYWHRZMYCACTO-CABCVRRESA-N 2 1 310.442 0.350 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC#CC)C1 ZINC001023421640 657848478 /nfs/dbraw/zinc/84/84/78/657848478.db2.gz FNOJIJGFZHWDDJ-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC#CC)C1 ZINC001023421640 657848487 /nfs/dbraw/zinc/84/84/87/657848487.db2.gz FNOJIJGFZHWDDJ-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC#CC)C1 ZINC001023421640 657848497 /nfs/dbraw/zinc/84/84/97/657848497.db2.gz FNOJIJGFZHWDDJ-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC#CC)C1 ZINC001023421640 657848504 /nfs/dbraw/zinc/84/85/04/657848504.db2.gz FNOJIJGFZHWDDJ-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023499753 657934966 /nfs/dbraw/zinc/93/49/66/657934966.db2.gz GIJKMXXEOWXXBG-UERKLNTKSA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638896 658140682 /nfs/dbraw/zinc/14/06/82/658140682.db2.gz OPSZIUYEHOQIKQ-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972337766 658586685 /nfs/dbraw/zinc/58/66/85/658586685.db2.gz CJZIQNOLNVPGAI-CABCVRRESA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972337766 658586691 /nfs/dbraw/zinc/58/66/91/658586691.db2.gz CJZIQNOLNVPGAI-CABCVRRESA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001026297452 659135572 /nfs/dbraw/zinc/13/55/72/659135572.db2.gz DPEMJZQCQSAPPN-NWANDNLSSA-N 2 1 316.405 0.810 20 30 DCEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486503 659456264 /nfs/dbraw/zinc/45/62/64/659456264.db2.gz DDGBPNDGOIAOAE-HOCLYGCPSA-N 2 1 324.469 0.818 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781817 659556417 /nfs/dbraw/zinc/55/64/17/659556417.db2.gz RRMRSXJJSSJIAC-DMRKSPOLSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781817 659556420 /nfs/dbraw/zinc/55/64/20/659556420.db2.gz RRMRSXJJSSJIAC-DMRKSPOLSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781817 659556424 /nfs/dbraw/zinc/55/64/24/659556424.db2.gz RRMRSXJJSSJIAC-DMRKSPOLSA-N 2 1 301.434 0.931 20 30 DCEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849378 659693939 /nfs/dbraw/zinc/69/39/39/659693939.db2.gz GSMCMKYEHCNXEB-DGSCNEQVSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849378 659693941 /nfs/dbraw/zinc/69/39/41/659693941.db2.gz GSMCMKYEHCNXEB-DGSCNEQVSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849378 659693946 /nfs/dbraw/zinc/69/39/46/659693946.db2.gz GSMCMKYEHCNXEB-DGSCNEQVSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982158121 661299735 /nfs/dbraw/zinc/29/97/35/661299735.db2.gz GFPHVVFPPGVBOK-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982158121 661299739 /nfs/dbraw/zinc/29/97/39/661299739.db2.gz GFPHVVFPPGVBOK-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158121 661299742 /nfs/dbraw/zinc/29/97/42/661299742.db2.gz GFPHVVFPPGVBOK-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158121 661299745 /nfs/dbraw/zinc/29/97/45/661299745.db2.gz GFPHVVFPPGVBOK-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001028333176 661462202 /nfs/dbraw/zinc/46/22/02/661462202.db2.gz FHGKWGYKYXJVNW-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001028643495 661716318 /nfs/dbraw/zinc/71/63/18/661716318.db2.gz OVLPZKFGUPNOQW-GJZGRUSLSA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896175 661876830 /nfs/dbraw/zinc/87/68/30/661876830.db2.gz LJWGDVPANJSXBJ-AWEZNQCLSA-N 2 1 309.373 0.952 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896175 661876832 /nfs/dbraw/zinc/87/68/32/661876832.db2.gz LJWGDVPANJSXBJ-AWEZNQCLSA-N 2 1 309.373 0.952 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941230251 665950985 /nfs/dbraw/zinc/95/09/85/665950985.db2.gz GWYKIMORFINXAP-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941230251 665950988 /nfs/dbraw/zinc/95/09/88/665950988.db2.gz GWYKIMORFINXAP-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230251 665950991 /nfs/dbraw/zinc/95/09/91/665950991.db2.gz GWYKIMORFINXAP-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230251 665950993 /nfs/dbraw/zinc/95/09/93/665950993.db2.gz GWYKIMORFINXAP-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345359 665978462 /nfs/dbraw/zinc/97/84/62/665978462.db2.gz SPMIIZZIVNLPIC-MRXNPFEDSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CCN(C(=O)NCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000913836844 664726162 /nfs/dbraw/zinc/72/61/62/664726162.db2.gz HHQVSMKDTWGFOU-UHFFFAOYSA-N 2 1 322.453 0.448 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCO)[C@H]2C)CC1 ZINC000994498679 665116787 /nfs/dbraw/zinc/11/67/87/665116787.db2.gz NTMVIQAFAYWBFG-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCO)[C@@H]2C)CC1 ZINC000994498681 665116793 /nfs/dbraw/zinc/11/67/93/665116793.db2.gz NTMVIQAFAYWBFG-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+](CCOC)C1)C1CC[NH+](C)CC1 ZINC000919633685 665224720 /nfs/dbraw/zinc/22/47/20/665224720.db2.gz CHBIHOLIHXHGRP-OAHLLOKOSA-N 2 1 322.453 0.446 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665107 666041102 /nfs/dbraw/zinc/04/11/02/666041102.db2.gz BUFFSMMMNPEEBR-HNNXBMFYSA-N 2 1 306.454 0.343 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665107 666041105 /nfs/dbraw/zinc/04/11/05/666041105.db2.gz BUFFSMMMNPEEBR-HNNXBMFYSA-N 2 1 306.454 0.343 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083609 666495779 /nfs/dbraw/zinc/49/57/79/666495779.db2.gz BRVJIJWYCYEBTL-HNNXBMFYSA-N 2 1 317.437 0.614 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083609 666495781 /nfs/dbraw/zinc/49/57/81/666495781.db2.gz BRVJIJWYCYEBTL-HNNXBMFYSA-N 2 1 317.437 0.614 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278516 666659104 /nfs/dbraw/zinc/65/91/04/666659104.db2.gz POMVKSJNHABXKA-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278516 666659105 /nfs/dbraw/zinc/65/91/05/666659105.db2.gz POMVKSJNHABXKA-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278516 666659106 /nfs/dbraw/zinc/65/91/06/666659106.db2.gz POMVKSJNHABXKA-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001033357573 666691119 /nfs/dbraw/zinc/69/11/19/666691119.db2.gz IFSGURWQBSVJMS-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357573 666691120 /nfs/dbraw/zinc/69/11/20/666691120.db2.gz IFSGURWQBSVJMS-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357573 666691121 /nfs/dbraw/zinc/69/11/21/666691121.db2.gz IFSGURWQBSVJMS-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357573 666691122 /nfs/dbraw/zinc/69/11/22/666691122.db2.gz IFSGURWQBSVJMS-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357573 666691123 /nfs/dbraw/zinc/69/11/23/666691123.db2.gz IFSGURWQBSVJMS-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001033683415 666794637 /nfs/dbraw/zinc/79/46/37/666794637.db2.gz HAXGWEPNWRCALK-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034535993 667062893 /nfs/dbraw/zinc/06/28/93/667062893.db2.gz WXBQMMQNJYGRIN-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535993 667062894 /nfs/dbraw/zinc/06/28/94/667062894.db2.gz WXBQMMQNJYGRIN-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535993 667062896 /nfs/dbraw/zinc/06/28/96/667062896.db2.gz WXBQMMQNJYGRIN-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535993 667062897 /nfs/dbraw/zinc/06/28/97/667062897.db2.gz WXBQMMQNJYGRIN-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997430622 667291532 /nfs/dbraw/zinc/29/15/32/667291532.db2.gz FOJWBJPLTQPJTF-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000884161773 667487871 /nfs/dbraw/zinc/48/78/71/667487871.db2.gz MQPLFJWWTFMGSM-LSDHHAIUSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000884161773 667487872 /nfs/dbraw/zinc/48/78/72/667487872.db2.gz MQPLFJWWTFMGSM-LSDHHAIUSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000884161773 667487873 /nfs/dbraw/zinc/48/78/73/667487873.db2.gz MQPLFJWWTFMGSM-LSDHHAIUSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000884161773 667487874 /nfs/dbraw/zinc/48/78/74/667487874.db2.gz MQPLFJWWTFMGSM-LSDHHAIUSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000890371842 668123629 /nfs/dbraw/zinc/12/36/29/668123629.db2.gz BVXUMFFSKMFTJJ-OAHLLOKOSA-N 2 1 301.394 0.312 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000890371842 668123631 /nfs/dbraw/zinc/12/36/31/668123631.db2.gz BVXUMFFSKMFTJJ-OAHLLOKOSA-N 2 1 301.394 0.312 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000948070567 670053312 /nfs/dbraw/zinc/05/33/12/670053312.db2.gz QRJAEHBRBZAGKG-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001006431460 670115177 /nfs/dbraw/zinc/11/51/77/670115177.db2.gz OCVBXOOLOQDHJP-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006431460 670115178 /nfs/dbraw/zinc/11/51/78/670115178.db2.gz OCVBXOOLOQDHJP-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948448708 670115920 /nfs/dbraw/zinc/11/59/20/670115920.db2.gz HENGOZRTIVSVFM-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948448708 670115921 /nfs/dbraw/zinc/11/59/21/670115921.db2.gz HENGOZRTIVSVFM-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCO)CC1 ZINC000948448708 670115924 /nfs/dbraw/zinc/11/59/24/670115924.db2.gz HENGOZRTIVSVFM-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCO)CC1 ZINC000948448708 670115927 /nfs/dbraw/zinc/11/59/27/670115927.db2.gz HENGOZRTIVSVFM-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949320668 670312406 /nfs/dbraw/zinc/31/24/06/670312406.db2.gz RFYJANDWKFIZKU-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949320668 670312407 /nfs/dbraw/zinc/31/24/07/670312407.db2.gz RFYJANDWKFIZKU-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949320668 670312410 /nfs/dbraw/zinc/31/24/10/670312410.db2.gz RFYJANDWKFIZKU-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000855403437 670704760 /nfs/dbraw/zinc/70/47/60/670704760.db2.gz NKULMRZNLONUNB-QGZVFWFLSA-N 2 1 317.433 0.987 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000852867884 671180230 /nfs/dbraw/zinc/18/02/30/671180230.db2.gz GDNLRAQYTFKWOJ-IAGOWNOFSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214372 687446475 /nfs/dbraw/zinc/44/64/75/687446475.db2.gz GNSVWRBWFPGBQA-HUUCEWRRSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](O)C1 ZINC000958717102 687871529 /nfs/dbraw/zinc/87/15/29/687871529.db2.gz PFBHXVWDNCGBAN-IAGOWNOFSA-N 2 1 315.417 0.404 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(C)C)C[C@@H]2O)CC1 ZINC000958723225 687875857 /nfs/dbraw/zinc/87/58/57/687875857.db2.gz DPPBRMGCJYPISC-IRXDYDNUSA-N 2 1 321.465 0.397 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960527421 688405640 /nfs/dbraw/zinc/40/56/40/688405640.db2.gz RIIRZIFFNRSIKG-ZSHCYNCHSA-N 2 1 301.434 0.932 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000960653484 688432235 /nfs/dbraw/zinc/43/22/35/688432235.db2.gz ZRVSRFCUBVSNDI-WVZRYYJFSA-N 2 1 312.417 0.893 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC000960653484 688432238 /nfs/dbraw/zinc/43/22/38/688432238.db2.gz ZRVSRFCUBVSNDI-WVZRYYJFSA-N 2 1 312.417 0.893 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC000960653484 688432242 /nfs/dbraw/zinc/43/22/42/688432242.db2.gz ZRVSRFCUBVSNDI-WVZRYYJFSA-N 2 1 312.417 0.893 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001039042879 694283962 /nfs/dbraw/zinc/28/39/62/694283962.db2.gz YJZKOBOYIAZNND-DOTOQJQBSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](C)OC)CC1 ZINC001039042219 694284369 /nfs/dbraw/zinc/28/43/69/694284369.db2.gz NRBUNUFIMRDLMT-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC#C)CC[C@@H]2C)CC1 ZINC000968681168 690365191 /nfs/dbraw/zinc/36/51/91/690365191.db2.gz HDDXVHILROIIBC-RDJZCZTQSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC#C)CC[C@@H]2C)CC1 ZINC000968681168 690365193 /nfs/dbraw/zinc/36/51/93/690365193.db2.gz HDDXVHILROIIBC-RDJZCZTQSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968796690 690393165 /nfs/dbraw/zinc/39/31/65/690393165.db2.gz NEOVPLSDZNNXOQ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968796690 690393171 /nfs/dbraw/zinc/39/31/71/690393171.db2.gz NEOVPLSDZNNXOQ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796690 690393175 /nfs/dbraw/zinc/39/31/75/690393175.db2.gz NEOVPLSDZNNXOQ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796690 690393177 /nfs/dbraw/zinc/39/31/77/690393177.db2.gz NEOVPLSDZNNXOQ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000968956852 690435055 /nfs/dbraw/zinc/43/50/55/690435055.db2.gz WZSOWVFQSAUKAC-OAGGEKHMSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000968956852 690435059 /nfs/dbraw/zinc/43/50/59/690435059.db2.gz WZSOWVFQSAUKAC-OAGGEKHMSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001016330908 692654663 /nfs/dbraw/zinc/65/46/63/692654663.db2.gz HRMIXQKKJMVJOH-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569460 692940434 /nfs/dbraw/zinc/94/04/34/692940434.db2.gz MNAMHYDMPVCKJE-FZKCQIBNSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569460 692940440 /nfs/dbraw/zinc/94/04/40/692940440.db2.gz MNAMHYDMPVCKJE-FZKCQIBNSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017569460 692940442 /nfs/dbraw/zinc/94/04/42/692940442.db2.gz MNAMHYDMPVCKJE-FZKCQIBNSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017569460 692940445 /nfs/dbraw/zinc/94/04/45/692940445.db2.gz MNAMHYDMPVCKJE-FZKCQIBNSA-N 2 1 305.422 0.711 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040652462 694587380 /nfs/dbraw/zinc/58/73/80/694587380.db2.gz LKQHYNSHGXOUTL-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040652462 694587384 /nfs/dbraw/zinc/58/73/84/694587384.db2.gz LKQHYNSHGXOUTL-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760439 694661111 /nfs/dbraw/zinc/66/11/11/694661111.db2.gz AXFUFTNHMLDLLJ-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760439 694661113 /nfs/dbraw/zinc/66/11/13/694661113.db2.gz AXFUFTNHMLDLLJ-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760439 694661114 /nfs/dbraw/zinc/66/11/14/694661114.db2.gz AXFUFTNHMLDLLJ-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001073050050 694698811 /nfs/dbraw/zinc/69/88/11/694698811.db2.gz HLJQQCKZGBVGDS-UHFFFAOYSA-N 2 1 317.437 0.779 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001073627094 694755005 /nfs/dbraw/zinc/75/50/05/694755005.db2.gz CFFUQOASVXVXQW-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627094 694755007 /nfs/dbraw/zinc/75/50/07/694755007.db2.gz CFFUQOASVXVXQW-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627094 694755008 /nfs/dbraw/zinc/75/50/08/694755008.db2.gz CFFUQOASVXVXQW-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627094 694755009 /nfs/dbraw/zinc/75/50/09/694755009.db2.gz CFFUQOASVXVXQW-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001073631903 694756279 /nfs/dbraw/zinc/75/62/79/694756279.db2.gz VSEFLHMQNLBJBC-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073631903 694756280 /nfs/dbraw/zinc/75/62/80/694756280.db2.gz VSEFLHMQNLBJBC-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073631903 694756281 /nfs/dbraw/zinc/75/62/81/694756281.db2.gz VSEFLHMQNLBJBC-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073631903 694756282 /nfs/dbraw/zinc/75/62/82/694756282.db2.gz VSEFLHMQNLBJBC-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C(C)C)CCCO1 ZINC001073640208 694757726 /nfs/dbraw/zinc/75/77/26/694757726.db2.gz ZCBRLXJKWYKITR-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C(C)C)CCCO1 ZINC001073640208 694757729 /nfs/dbraw/zinc/75/77/29/694757729.db2.gz ZCBRLXJKWYKITR-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C(C)C)CCCO1 ZINC001073640208 694757730 /nfs/dbraw/zinc/75/77/30/694757730.db2.gz ZCBRLXJKWYKITR-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C(C)C)CCCO1 ZINC001073640208 694757732 /nfs/dbraw/zinc/75/77/32/694757732.db2.gz ZCBRLXJKWYKITR-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC#C)CCCO2)CC1 ZINC001073898889 694798491 /nfs/dbraw/zinc/79/84/91/694798491.db2.gz FMNJJUVEQXQRPI-QGZVFWFLSA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC#C)CCCO2)CC1 ZINC001073898889 694798492 /nfs/dbraw/zinc/79/84/92/694798492.db2.gz FMNJJUVEQXQRPI-QGZVFWFLSA-N 2 1 317.433 0.172 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804007 694978046 /nfs/dbraw/zinc/97/80/46/694978046.db2.gz PISAFMKZZYOKMA-GOEBONIOSA-N 2 1 317.437 0.777 20 30 DCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001570718344 1162599263 /nfs/dbraw/zinc/59/92/63/1162599263.db2.gz UMSCFPAZQMFUAP-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001571440424 1162756923 /nfs/dbraw/zinc/75/69/23/1162756923.db2.gz BJRDWCYFZMMESA-LSDHHAIUSA-N 2 1 320.437 0.787 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001671297565 1157442236 /nfs/dbraw/zinc/44/22/36/1157442236.db2.gz CUSZRGYVVACMKX-RBSFLKMASA-N 2 1 322.453 0.209 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001755008263 1157905294 /nfs/dbraw/zinc/90/52/94/1157905294.db2.gz MUHDLJDSJYELFA-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001566724386 1160137300 /nfs/dbraw/zinc/13/73/00/1160137300.db2.gz HQLVFRBVSWCMCE-ZBFHGGJFSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCn2cccn2)CC1 ZINC001567324478 1160312026 /nfs/dbraw/zinc/31/20/26/1160312026.db2.gz PTTQTJIOWSVWHN-UHFFFAOYSA-N 2 1 317.437 0.276 20 30 DCEDMP COCC#CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001567449458 1160369578 /nfs/dbraw/zinc/36/95/78/1160369578.db2.gz YNIVRJWGWAFYJT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001567449458 1160369585 /nfs/dbraw/zinc/36/95/85/1160369585.db2.gz YNIVRJWGWAFYJT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001567449458 1160369592 /nfs/dbraw/zinc/36/95/92/1160369592.db2.gz YNIVRJWGWAFYJT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001567837066 1160495621 /nfs/dbraw/zinc/49/56/21/1160495621.db2.gz AOLHBKFKFQXQBS-HIFRSBDPSA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001568506982 1160663271 /nfs/dbraw/zinc/66/32/71/1160663271.db2.gz YYILRBNUBVYDCV-UHFFFAOYSA-N 2 1 309.454 0.902 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ncccn2)CC1 ZINC001569039164 1160924926 /nfs/dbraw/zinc/92/49/26/1160924926.db2.gz ZDHSNQDZQSJNIJ-CQSZACIVSA-N 2 1 315.421 0.416 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001569574187 1161154148 /nfs/dbraw/zinc/15/41/48/1161154148.db2.gz BGZLYWQGCHFSNA-CQSZACIVSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001569574187 1161154150 /nfs/dbraw/zinc/15/41/50/1161154150.db2.gz BGZLYWQGCHFSNA-CQSZACIVSA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001569759947 1161230728 /nfs/dbraw/zinc/23/07/28/1161230728.db2.gz PWJUTAPTPUTAFV-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001569814325 1161264137 /nfs/dbraw/zinc/26/41/37/1161264137.db2.gz TXHNAENYDLCKRH-CHWSQXEVSA-N 2 1 304.394 0.810 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001569899908 1161304497 /nfs/dbraw/zinc/30/44/97/1161304497.db2.gz DMJTZJNOKKWARD-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001569899908 1161304506 /nfs/dbraw/zinc/30/45/06/1161304506.db2.gz DMJTZJNOKKWARD-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CCN1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001569899906 1161305078 /nfs/dbraw/zinc/30/50/78/1161305078.db2.gz DMJTZJNOKKWARD-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001569899906 1161305084 /nfs/dbraw/zinc/30/50/84/1161305084.db2.gz DMJTZJNOKKWARD-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001569899906 1161305089 /nfs/dbraw/zinc/30/50/89/1161305089.db2.gz DMJTZJNOKKWARD-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001569899906 1161305096 /nfs/dbraw/zinc/30/50/96/1161305096.db2.gz DMJTZJNOKKWARD-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001569899906 1161305103 /nfs/dbraw/zinc/30/51/03/1161305103.db2.gz DMJTZJNOKKWARD-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001569990014 1161372548 /nfs/dbraw/zinc/37/25/48/1161372548.db2.gz OOCRCDRTIBPRMK-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001570285833 1161542710 /nfs/dbraw/zinc/54/27/10/1161542710.db2.gz OFMRSYNDGQRKDY-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001570294557 1161550161 /nfs/dbraw/zinc/55/01/61/1161550161.db2.gz WOXSOPBRMGXWLS-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001574890012 1163786633 /nfs/dbraw/zinc/78/66/33/1163786633.db2.gz VZEPNEMXTBEIDS-RBSFLKMASA-N 2 1 323.437 0.684 20 30 DCEDMP C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001574890012 1163786642 /nfs/dbraw/zinc/78/66/42/1163786642.db2.gz VZEPNEMXTBEIDS-RBSFLKMASA-N 2 1 323.437 0.684 20 30 DCEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001646149804 1172274139 /nfs/dbraw/zinc/27/41/39/1172274139.db2.gz CEOHBKHUMOTOGV-LQCZDEPNSA-N 2 1 304.438 0.924 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001656322333 1173857143 /nfs/dbraw/zinc/85/71/43/1173857143.db2.gz XLZOPAPCIBEDHP-JKSUJKDBSA-N 2 1 318.421 0.716 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC#CCOC ZINC001656733888 1173880309 /nfs/dbraw/zinc/88/03/09/1173880309.db2.gz JKQDZRPVBFRZCR-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001656784857 1173885050 /nfs/dbraw/zinc/88/50/50/1173885050.db2.gz ZYQJDXJDCOUSDK-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001656784857 1173885056 /nfs/dbraw/zinc/88/50/56/1173885056.db2.gz ZYQJDXJDCOUSDK-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001656784857 1173885061 /nfs/dbraw/zinc/88/50/61/1173885061.db2.gz ZYQJDXJDCOUSDK-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001661369718 1174119277 /nfs/dbraw/zinc/11/92/77/1174119277.db2.gz QNZFDABRHNDBHH-RDJZCZTQSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001661995224 1174173891 /nfs/dbraw/zinc/17/38/91/1174173891.db2.gz DZACZSSBGGAYEL-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001663628556 1174336574 /nfs/dbraw/zinc/33/65/74/1174336574.db2.gz DCQMZUXVENPJGH-KRWDZBQOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H]1CCCCO1 ZINC001663989087 1174379787 /nfs/dbraw/zinc/37/97/87/1174379787.db2.gz PBKNLZPDGNKCPF-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H]1CCCCO1 ZINC001663989087 1174379792 /nfs/dbraw/zinc/37/97/92/1174379792.db2.gz PBKNLZPDGNKCPF-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)Cn2cncc2C)C1 ZINC001664726360 1174452162 /nfs/dbraw/zinc/45/21/62/1174452162.db2.gz IVXFIFIHGMRZMS-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001664726360 1174452166 /nfs/dbraw/zinc/45/21/66/1174452166.db2.gz IVXFIFIHGMRZMS-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001664726360 1174452172 /nfs/dbraw/zinc/45/21/72/1174452172.db2.gz IVXFIFIHGMRZMS-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)CC[N@H+]1C ZINC001668065291 1174752877 /nfs/dbraw/zinc/75/28/77/1174752877.db2.gz JEDDEGHHTWXJIV-OWCLPIDISA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OCC ZINC001691750143 1175217844 /nfs/dbraw/zinc/21/78/44/1175217844.db2.gz PSAPJJSDDVZDRF-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001673671349 1175221046 /nfs/dbraw/zinc/22/10/46/1175221046.db2.gz LCPOZPYBKZVJIG-BFYDXBDKSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001673675681 1175222027 /nfs/dbraw/zinc/22/20/27/1175222027.db2.gz FRVMNVWPNDRPCA-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001673911692 1175240169 /nfs/dbraw/zinc/24/01/69/1175240169.db2.gz TWFIZLXYSQLQJF-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001676795722 1175490365 /nfs/dbraw/zinc/49/03/65/1175490365.db2.gz DYRDOJLWRRQVTO-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001676795722 1175490366 /nfs/dbraw/zinc/49/03/66/1175490366.db2.gz DYRDOJLWRRQVTO-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001676795722 1175490368 /nfs/dbraw/zinc/49/03/68/1175490368.db2.gz DYRDOJLWRRQVTO-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001676795722 1175490370 /nfs/dbraw/zinc/49/03/70/1175490370.db2.gz DYRDOJLWRRQVTO-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001677168569 1175542859 /nfs/dbraw/zinc/54/28/59/1175542859.db2.gz HVHMLQCVKJOZLA-GDBMZVCRSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001677168569 1175542862 /nfs/dbraw/zinc/54/28/62/1175542862.db2.gz HVHMLQCVKJOZLA-GDBMZVCRSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](CC#C)CCO)C1 ZINC001689204110 1176739410 /nfs/dbraw/zinc/73/94/10/1176739410.db2.gz FXVIXBMZHUEURB-IRXDYDNUSA-N 2 1 317.433 0.003 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001689204110 1176739416 /nfs/dbraw/zinc/73/94/16/1176739416.db2.gz FXVIXBMZHUEURB-IRXDYDNUSA-N 2 1 317.433 0.003 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001689204110 1176739421 /nfs/dbraw/zinc/73/94/21/1176739421.db2.gz FXVIXBMZHUEURB-IRXDYDNUSA-N 2 1 317.433 0.003 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001689204110 1176739425 /nfs/dbraw/zinc/73/94/25/1176739425.db2.gz FXVIXBMZHUEURB-IRXDYDNUSA-N 2 1 317.433 0.003 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001689254484 1176770506 /nfs/dbraw/zinc/77/05/06/1176770506.db2.gz YKTVERUDQPHHSI-HZPDHXFCSA-N 2 1 309.454 0.899 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001690336687 1177217366 /nfs/dbraw/zinc/21/73/66/1177217366.db2.gz OHTFURNHDDTEQI-ZNMIVQPWSA-N 2 1 322.453 0.398 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#CCOC)C1 ZINC001690614197 1177282645 /nfs/dbraw/zinc/28/26/45/1177282645.db2.gz FLSSDUNADCFEBQ-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001690822664 1177334008 /nfs/dbraw/zinc/33/40/08/1177334008.db2.gz KOHYRIKQCUYJJG-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001690822664 1177334011 /nfs/dbraw/zinc/33/40/11/1177334011.db2.gz KOHYRIKQCUYJJG-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001690822664 1177334016 /nfs/dbraw/zinc/33/40/16/1177334016.db2.gz KOHYRIKQCUYJJG-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001691985674 1177395818 /nfs/dbraw/zinc/39/58/18/1177395818.db2.gz YWXJPCHHEVUYFC-HNNXBMFYSA-N 2 1 317.437 0.472 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001692046591 1177409059 /nfs/dbraw/zinc/40/90/59/1177409059.db2.gz XDXXDTSSRSSWPR-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001692046591 1177409063 /nfs/dbraw/zinc/40/90/63/1177409063.db2.gz XDXXDTSSRSSWPR-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001692046591 1177409066 /nfs/dbraw/zinc/40/90/66/1177409066.db2.gz XDXXDTSSRSSWPR-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001699013809 1177771972 /nfs/dbraw/zinc/77/19/72/1177771972.db2.gz AMWQWMAZRAIJJO-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699047440 1177796689 /nfs/dbraw/zinc/79/66/89/1177796689.db2.gz LKHTWXRLFIGPOA-WBVHZDCISA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001699060031 1177810378 /nfs/dbraw/zinc/81/03/78/1177810378.db2.gz CAEDQRWIBIZTBP-JKSUJKDBSA-N 2 1 307.438 0.483 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]CC#CCOC ZINC001699185590 1177923423 /nfs/dbraw/zinc/92/34/23/1177923423.db2.gz WHGQYVZJWUAJLD-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001699593674 1178209815 /nfs/dbraw/zinc/20/98/15/1178209815.db2.gz NBCUEEVYTHXMKB-BHYGNILZSA-N 2 1 321.465 0.851 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001699690364 1178249952 /nfs/dbraw/zinc/24/99/52/1178249952.db2.gz WWLVCXPJTWJFNU-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001699690364 1178249957 /nfs/dbraw/zinc/24/99/57/1178249957.db2.gz WWLVCXPJTWJFNU-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001699690364 1178249962 /nfs/dbraw/zinc/24/99/62/1178249962.db2.gz WWLVCXPJTWJFNU-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001699738044 1178271109 /nfs/dbraw/zinc/27/11/09/1178271109.db2.gz JRYHHMDHBVDHLS-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001699878918 1178327684 /nfs/dbraw/zinc/32/76/84/1178327684.db2.gz DXPOZRXNMBSYQE-FUHWJXTLSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001699901113 1178353064 /nfs/dbraw/zinc/35/30/64/1178353064.db2.gz LKGXEMNMKUTWHJ-NVXWUHKLSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CCCC)C2)CC1 ZINC001699906576 1178361833 /nfs/dbraw/zinc/36/18/33/1178361833.db2.gz HERBTXCOKHKLSB-GOSISDBHSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001700265695 1178560131 /nfs/dbraw/zinc/56/01/31/1178560131.db2.gz JCJWASNGTDDBKW-HIFRSBDPSA-N 2 1 306.410 0.831 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001700319726 1178580562 /nfs/dbraw/zinc/58/05/62/1178580562.db2.gz DTWIIEIKSHVFAH-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001700319726 1178580568 /nfs/dbraw/zinc/58/05/68/1178580568.db2.gz DTWIIEIKSHVFAH-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001700319726 1178580573 /nfs/dbraw/zinc/58/05/73/1178580573.db2.gz DTWIIEIKSHVFAH-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001700635347 1178686633 /nfs/dbraw/zinc/68/66/33/1178686633.db2.gz GKTKCWLBEBEQOV-SHTZXODSSA-N 2 1 304.394 0.326 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001700956472 1178831240 /nfs/dbraw/zinc/83/12/40/1178831240.db2.gz CJZVJXUHPIJBMH-HNNXBMFYSA-N 2 1 315.377 0.476 20 30 DCEDMP C=CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001700960197 1178835214 /nfs/dbraw/zinc/83/52/14/1178835214.db2.gz GBUBPXFSOHGQJU-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001700960197 1178835227 /nfs/dbraw/zinc/83/52/27/1178835227.db2.gz GBUBPXFSOHGQJU-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001700960197 1178835237 /nfs/dbraw/zinc/83/52/37/1178835237.db2.gz GBUBPXFSOHGQJU-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001700960197 1178835246 /nfs/dbraw/zinc/83/52/46/1178835246.db2.gz GBUBPXFSOHGQJU-LSDHHAIUSA-N 2 1 313.442 0.034 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001701055149 1178909303 /nfs/dbraw/zinc/90/93/03/1178909303.db2.gz AABAVNXOTZBJCL-UHFFFAOYSA-N 2 1 319.449 0.726 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001712991506 1180614923 /nfs/dbraw/zinc/61/49/23/1180614923.db2.gz SPDPSJNKDYYWHH-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001713070779 1180662783 /nfs/dbraw/zinc/66/27/83/1180662783.db2.gz RXBBPAXONXZXSC-MRXNPFEDSA-N 2 1 306.454 0.085 20 30 DCEDMP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001713400377 1180800320 /nfs/dbraw/zinc/80/03/20/1180800320.db2.gz GTQTXFIHYLYAFC-INIZCTEOSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001713400377 1180800332 /nfs/dbraw/zinc/80/03/32/1180800332.db2.gz GTQTXFIHYLYAFC-INIZCTEOSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713517188 1180890315 /nfs/dbraw/zinc/89/03/15/1180890315.db2.gz FDFWGQWQFMOUPH-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713517188 1180890323 /nfs/dbraw/zinc/89/03/23/1180890323.db2.gz FDFWGQWQFMOUPH-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713517188 1180890336 /nfs/dbraw/zinc/89/03/36/1180890336.db2.gz FDFWGQWQFMOUPH-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001713541624 1180911089 /nfs/dbraw/zinc/91/10/89/1180911089.db2.gz LYVJOIUKTZMPLJ-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001713667187 1181008297 /nfs/dbraw/zinc/00/82/97/1181008297.db2.gz BRPLOTSXZJEDQL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001713788451 1181066094 /nfs/dbraw/zinc/06/60/94/1181066094.db2.gz MVLUTRNVJFZSLR-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001713788451 1181066101 /nfs/dbraw/zinc/06/61/01/1181066101.db2.gz MVLUTRNVJFZSLR-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714043332 1181221413 /nfs/dbraw/zinc/22/14/13/1181221413.db2.gz RXRWMNFCGORWAC-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001714047649 1181224612 /nfs/dbraw/zinc/22/46/12/1181224612.db2.gz DYFASOFVKHZWFP-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001714884378 1181584725 /nfs/dbraw/zinc/58/47/25/1181584725.db2.gz YTJCUACTYVWFTF-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001714900671 1181595422 /nfs/dbraw/zinc/59/54/22/1181595422.db2.gz DWPGGFBKMMVCMO-KRWDZBQOSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001714900671 1181595431 /nfs/dbraw/zinc/59/54/31/1181595431.db2.gz DWPGGFBKMMVCMO-KRWDZBQOSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001715617598 1181901913 /nfs/dbraw/zinc/90/19/13/1181901913.db2.gz VJVSKRWOOPPNEV-HZPDHXFCSA-N 2 1 303.406 0.379 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001715832797 1182037602 /nfs/dbraw/zinc/03/76/02/1182037602.db2.gz JYJIWJBSYLLIFC-QCDWVSHVSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC[C@@H]1CCOC1 ZINC001715933990 1182107761 /nfs/dbraw/zinc/10/77/61/1182107761.db2.gz GCHBSKHSSXKIHA-ZACQAIPSSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC[C@@H]1CCOC1 ZINC001715933990 1182107765 /nfs/dbraw/zinc/10/77/65/1182107765.db2.gz GCHBSKHSSXKIHA-ZACQAIPSSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001716443861 1182392336 /nfs/dbraw/zinc/39/23/36/1182392336.db2.gz NIJWOTDRCQQUOO-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001717103092 1182678038 /nfs/dbraw/zinc/67/80/38/1182678038.db2.gz UUQDWVCCPDXIHI-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001717130291 1182685543 /nfs/dbraw/zinc/68/55/43/1182685543.db2.gz OWMLDZCGGAXQKH-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001717155155 1182698157 /nfs/dbraw/zinc/69/81/57/1182698157.db2.gz BPVHMXGYIMAVAF-UHFFFAOYSA-N 2 1 319.409 0.122 20 30 DCEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001717189839 1182721524 /nfs/dbraw/zinc/72/15/24/1182721524.db2.gz ISBAAPSIQTZVCD-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001717315401 1182775754 /nfs/dbraw/zinc/77/57/54/1182775754.db2.gz MBVIVWSOPDRGDY-UHFFFAOYSA-N 2 1 308.470 0.733 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001717315401 1182775760 /nfs/dbraw/zinc/77/57/60/1182775760.db2.gz MBVIVWSOPDRGDY-UHFFFAOYSA-N 2 1 308.470 0.733 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001717322594 1182780881 /nfs/dbraw/zinc/78/08/81/1182780881.db2.gz VTCMQKHMZYNEQN-HOTGVXAUSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001717520270 1182879959 /nfs/dbraw/zinc/87/99/59/1182879959.db2.gz HSSJCBIQIRRWHY-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001720939687 1183775670 /nfs/dbraw/zinc/77/56/70/1183775670.db2.gz UJRDYLJJUSIPDY-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CC[N@H+](C)CC ZINC001720939687 1183775675 /nfs/dbraw/zinc/77/56/75/1183775675.db2.gz UJRDYLJJUSIPDY-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)CC ZINC001720939687 1183775684 /nfs/dbraw/zinc/77/56/84/1183775684.db2.gz UJRDYLJJUSIPDY-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)CC ZINC001720939687 1183775688 /nfs/dbraw/zinc/77/56/88/1183775688.db2.gz UJRDYLJJUSIPDY-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001724049829 1184373616 /nfs/dbraw/zinc/37/36/16/1184373616.db2.gz HNTWYEBGKZTKPX-OAHLLOKOSA-N 2 1 318.421 0.499 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001724420956 1184437861 /nfs/dbraw/zinc/43/78/61/1184437861.db2.gz CADRXMDJIHCWAV-KRWDZBQOSA-N 2 1 307.438 0.601 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001724423168 1184439765 /nfs/dbraw/zinc/43/97/65/1184439765.db2.gz WUZYWWDBPNJNBT-DLBZAZTESA-N 2 1 305.422 0.049 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001724423168 1184439769 /nfs/dbraw/zinc/43/97/69/1184439769.db2.gz WUZYWWDBPNJNBT-DLBZAZTESA-N 2 1 305.422 0.049 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001724423168 1184439797 /nfs/dbraw/zinc/43/97/97/1184439797.db2.gz WUZYWWDBPNJNBT-DLBZAZTESA-N 2 1 305.422 0.049 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001724641287 1184490224 /nfs/dbraw/zinc/49/02/24/1184490224.db2.gz IQZSPTRIOAPDHH-QGZVFWFLSA-N 2 1 305.422 0.049 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001725324836 1184769577 /nfs/dbraw/zinc/76/95/77/1184769577.db2.gz SOXRAGOERVEIMJ-OSYLJGHBSA-N 2 1 321.465 0.662 20 30 DCEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001725324836 1184769581 /nfs/dbraw/zinc/76/95/81/1184769581.db2.gz SOXRAGOERVEIMJ-OSYLJGHBSA-N 2 1 321.465 0.662 20 30 DCEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001725324836 1184769586 /nfs/dbraw/zinc/76/95/86/1184769586.db2.gz SOXRAGOERVEIMJ-OSYLJGHBSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001731345454 1185282586 /nfs/dbraw/zinc/28/25/86/1185282586.db2.gz YFFUMWPUWLGQMB-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001731345454 1185282589 /nfs/dbraw/zinc/28/25/89/1185282589.db2.gz YFFUMWPUWLGQMB-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCOCC)C1 ZINC001731445682 1185336502 /nfs/dbraw/zinc/33/65/02/1185336502.db2.gz VRFAEXSZEVQSIO-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCOCC)C1 ZINC001731445682 1185336509 /nfs/dbraw/zinc/33/65/09/1185336509.db2.gz VRFAEXSZEVQSIO-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001732058975 1185650890 /nfs/dbraw/zinc/65/08/90/1185650890.db2.gz DWKQYNBSRUEOCD-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001732063729 1185654395 /nfs/dbraw/zinc/65/43/95/1185654395.db2.gz APRJJFXZEWNVDF-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CC[N@H+](C)CCC)CC1 ZINC001732063729 1185654396 /nfs/dbraw/zinc/65/43/96/1185654396.db2.gz APRJJFXZEWNVDF-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001732173670 1185719723 /nfs/dbraw/zinc/71/97/23/1185719723.db2.gz PQUPBBFPINYKDS-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001732173670 1185719727 /nfs/dbraw/zinc/71/97/27/1185719727.db2.gz PQUPBBFPINYKDS-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001732173670 1185719734 /nfs/dbraw/zinc/71/97/34/1185719734.db2.gz PQUPBBFPINYKDS-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001732173670 1185719738 /nfs/dbraw/zinc/71/97/38/1185719738.db2.gz PQUPBBFPINYKDS-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001732658451 1185901456 /nfs/dbraw/zinc/90/14/56/1185901456.db2.gz OVZCYKQTDGZWGK-IUODEOHRSA-N 2 1 301.406 0.452 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001732699039 1185926301 /nfs/dbraw/zinc/92/63/01/1185926301.db2.gz FNXSQMUDQSHJJN-HOTGVXAUSA-N 2 1 305.422 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001732699039 1185926312 /nfs/dbraw/zinc/92/63/12/1185926312.db2.gz FNXSQMUDQSHJJN-HOTGVXAUSA-N 2 1 305.422 0.218 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCOC1 ZINC001732858607 1186017998 /nfs/dbraw/zinc/01/79/98/1186017998.db2.gz DVPZVMUYNZXALU-RYTMFUSVSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCOC1 ZINC001732858607 1186018003 /nfs/dbraw/zinc/01/80/03/1186018003.db2.gz DVPZVMUYNZXALU-RYTMFUSVSA-N 2 1 319.449 0.773 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001733176056 1186170401 /nfs/dbraw/zinc/17/04/01/1186170401.db2.gz ZYGXCHNTCNCHTH-HUUCEWRRSA-N 2 1 322.453 0.257 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC#CCOC)C1 ZINC001733536624 1186325572 /nfs/dbraw/zinc/32/55/72/1186325572.db2.gz URHWLPXMKIHGMV-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCOCC1 ZINC001733828891 1186465500 /nfs/dbraw/zinc/46/55/00/1186465500.db2.gz MOCSFAZYEWFQEB-HNNXBMFYSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001733832847 1186466890 /nfs/dbraw/zinc/46/68/90/1186466890.db2.gz IAHACINXLWSFAD-UHFFFAOYSA-N 2 1 304.394 0.470 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001733831864 1186467419 /nfs/dbraw/zinc/46/74/19/1186467419.db2.gz HWMWYWPWTQWZBC-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCO)CC1 ZINC001733864254 1186480056 /nfs/dbraw/zinc/48/00/56/1186480056.db2.gz NOJZPAYDFYIKQX-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCO)CC1 ZINC001733864254 1186480061 /nfs/dbraw/zinc/48/00/61/1186480061.db2.gz NOJZPAYDFYIKQX-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001733900120 1186492797 /nfs/dbraw/zinc/49/27/97/1186492797.db2.gz JVRSUBBUIXCQAA-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001733900120 1186492801 /nfs/dbraw/zinc/49/28/01/1186492801.db2.gz JVRSUBBUIXCQAA-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001733900120 1186492803 /nfs/dbraw/zinc/49/28/03/1186492803.db2.gz JVRSUBBUIXCQAA-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001733900120 1186492806 /nfs/dbraw/zinc/49/28/06/1186492806.db2.gz JVRSUBBUIXCQAA-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001734368962 1186628798 /nfs/dbraw/zinc/62/87/98/1186628798.db2.gz MYTXFUGQMVMPAG-ZIAGYGMSSA-N 2 1 306.410 0.487 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001734545082 1186686743 /nfs/dbraw/zinc/68/67/43/1186686743.db2.gz QTXZNXFXZATPBF-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001734545082 1186686746 /nfs/dbraw/zinc/68/67/46/1186686746.db2.gz QTXZNXFXZATPBF-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001734545082 1186686749 /nfs/dbraw/zinc/68/67/49/1186686749.db2.gz QTXZNXFXZATPBF-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN(C)C(=O)CC[NH+](C)C ZINC001737162229 1187267938 /nfs/dbraw/zinc/26/79/38/1187267938.db2.gz OSQUZDRLZXHZDB-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)C(=O)CC[NH+](C)C ZINC001737162229 1187267942 /nfs/dbraw/zinc/26/79/42/1187267942.db2.gz OSQUZDRLZXHZDB-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001752740768 1188436332 /nfs/dbraw/zinc/43/63/32/1188436332.db2.gz HUWOYUPCXSAXNY-BBWFWOEESA-N 2 1 321.465 0.993 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001752997706 1188474362 /nfs/dbraw/zinc/47/43/62/1188474362.db2.gz XUYZPDHLTYCKEG-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001752997706 1188474365 /nfs/dbraw/zinc/47/43/65/1188474365.db2.gz XUYZPDHLTYCKEG-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001752997706 1188474368 /nfs/dbraw/zinc/47/43/68/1188474368.db2.gz XUYZPDHLTYCKEG-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001753342877 1188568672 /nfs/dbraw/zinc/56/86/72/1188568672.db2.gz BGGRWNIODYTPFD-KRWDZBQOSA-N 2 1 320.481 0.428 20 30 DCEDMP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001753410833 1188586360 /nfs/dbraw/zinc/58/63/60/1188586360.db2.gz RTOBXYRILNHCBH-HOCLYGCPSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001753451226 1188600456 /nfs/dbraw/zinc/60/04/56/1188600456.db2.gz ZLMQJCWPYSUIKG-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001753451226 1188600459 /nfs/dbraw/zinc/60/04/59/1188600459.db2.gz ZLMQJCWPYSUIKG-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001753451226 1188600461 /nfs/dbraw/zinc/60/04/61/1188600461.db2.gz ZLMQJCWPYSUIKG-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001753451226 1188600463 /nfs/dbraw/zinc/60/04/63/1188600463.db2.gz ZLMQJCWPYSUIKG-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001754280707 1188808091 /nfs/dbraw/zinc/80/80/91/1188808091.db2.gz HNJGAYJLPRYEAG-DZGCQCFKSA-N 2 1 318.421 0.498 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754327605 1188823556 /nfs/dbraw/zinc/82/35/56/1188823556.db2.gz DHPQPSXGUAXFKE-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001754631372 1188893809 /nfs/dbraw/zinc/89/38/09/1188893809.db2.gz OSNUZOMYPXSVFH-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001754761969 1188927167 /nfs/dbraw/zinc/92/71/67/1188927167.db2.gz GWZGHVXGMJXFEN-GOSISDBHSA-N 2 1 317.433 0.857 20 30 DCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001754761969 1188927170 /nfs/dbraw/zinc/92/71/70/1188927170.db2.gz GWZGHVXGMJXFEN-GOSISDBHSA-N 2 1 317.433 0.857 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754761969 1188927177 /nfs/dbraw/zinc/92/71/77/1188927177.db2.gz GWZGHVXGMJXFEN-GOSISDBHSA-N 2 1 317.433 0.857 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754761969 1188927180 /nfs/dbraw/zinc/92/71/80/1188927180.db2.gz GWZGHVXGMJXFEN-GOSISDBHSA-N 2 1 317.433 0.857 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@@H+](CC=C)C2)CC1 ZINC001754863181 1188954207 /nfs/dbraw/zinc/95/42/07/1188954207.db2.gz YOJBMSLVUOFQGT-SFHVURJKSA-N 2 1 319.449 0.461 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001755045280 1189005043 /nfs/dbraw/zinc/00/50/43/1189005043.db2.gz PJAAWTSPRWKWPD-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001755045280 1189005047 /nfs/dbraw/zinc/00/50/47/1189005047.db2.gz PJAAWTSPRWKWPD-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755045280 1189005051 /nfs/dbraw/zinc/00/50/51/1189005051.db2.gz PJAAWTSPRWKWPD-CABCVRRESA-N 2 1 324.469 0.409 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755544048 1189143791 /nfs/dbraw/zinc/14/37/91/1189143791.db2.gz IEMXEAIIZIVCNN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001755544048 1189143793 /nfs/dbraw/zinc/14/37/93/1189143793.db2.gz IEMXEAIIZIVCNN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001755544048 1189143795 /nfs/dbraw/zinc/14/37/95/1189143795.db2.gz IEMXEAIIZIVCNN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001755806414 1189225484 /nfs/dbraw/zinc/22/54/84/1189225484.db2.gz DYLYRQKELCZKMY-CQSZACIVSA-N 2 1 313.442 0.034 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001755895113 1189252375 /nfs/dbraw/zinc/25/23/75/1189252375.db2.gz WLTNVZNKHNGZDI-MRXNPFEDSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001755895113 1189252379 /nfs/dbraw/zinc/25/23/79/1189252379.db2.gz WLTNVZNKHNGZDI-MRXNPFEDSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001755895113 1189252383 /nfs/dbraw/zinc/25/23/83/1189252383.db2.gz WLTNVZNKHNGZDI-MRXNPFEDSA-N 2 1 319.449 0.726 20 30 DCEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CC#CCOC ZINC001127686302 751630185 /nfs/dbraw/zinc/63/01/85/751630185.db2.gz YXPAXXALDOTASU-CQSZACIVSA-N 2 1 306.410 0.752 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001047550633 751829034 /nfs/dbraw/zinc/82/90/34/751829034.db2.gz CEFHIZMQOUIYDV-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001047550633 751829044 /nfs/dbraw/zinc/82/90/44/751829044.db2.gz CEFHIZMQOUIYDV-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP CC#CCN1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083276302 747730406 /nfs/dbraw/zinc/73/04/06/747730406.db2.gz WYSLHSKMIMPQNR-LSDHHAIUSA-N 2 1 302.378 0.126 20 30 DCEDMP C#CCCN1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392923 752214856 /nfs/dbraw/zinc/21/48/56/752214856.db2.gz YMAMRLSBRJAVOA-GULBITTBSA-N 2 1 303.406 0.016 20 30 DCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105040536 748011288 /nfs/dbraw/zinc/01/12/88/748011288.db2.gz KRYUDTMUIQXNRB-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105040536 748011297 /nfs/dbraw/zinc/01/12/97/748011297.db2.gz KRYUDTMUIQXNRB-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105271139 748095620 /nfs/dbraw/zinc/09/56/20/748095620.db2.gz XRPYITRHRZVLEB-OAHLLOKOSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105271139 748095628 /nfs/dbraw/zinc/09/56/28/748095628.db2.gz XRPYITRHRZVLEB-OAHLLOKOSA-N 2 1 318.425 0.421 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001105315393 748123636 /nfs/dbraw/zinc/12/36/36/748123636.db2.gz LFEGVLLWKTZZAS-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001105315507 748124204 /nfs/dbraw/zinc/12/42/04/748124204.db2.gz QURSNRLLHFTUFM-UHFFFAOYSA-N 2 1 306.414 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001098710759 749147795 /nfs/dbraw/zinc/14/77/95/749147795.db2.gz LOMQWFHMOKKEDL-HNNXBMFYSA-N 2 1 320.441 0.669 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665381 751221632 /nfs/dbraw/zinc/22/16/32/751221632.db2.gz UROPGJYZUARIBF-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099584975 752466409 /nfs/dbraw/zinc/46/64/09/752466409.db2.gz HTZFWOZQGGDXPV-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099584975 752466414 /nfs/dbraw/zinc/46/64/14/752466414.db2.gz HTZFWOZQGGDXPV-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107949940 752583751 /nfs/dbraw/zinc/58/37/51/752583751.db2.gz VQVVCRDKZXIOTE-AEFFLSMTSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107949940 752583757 /nfs/dbraw/zinc/58/37/57/752583757.db2.gz VQVVCRDKZXIOTE-AEFFLSMTSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1C ZINC001071890431 762204564 /nfs/dbraw/zinc/20/45/64/762204564.db2.gz MGUKSSVOIWANKU-GDBMZVCRSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1C ZINC001071890431 762204569 /nfs/dbraw/zinc/20/45/69/762204569.db2.gz MGUKSSVOIWANKU-GDBMZVCRSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046036869 753440270 /nfs/dbraw/zinc/44/02/70/753440270.db2.gz HZMYMZPIQMNSDY-SJORKVTESA-N 2 1 320.481 0.424 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046082473 753472575 /nfs/dbraw/zinc/47/25/75/753472575.db2.gz SDKVXLPVDFREFT-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082473 753472580 /nfs/dbraw/zinc/47/25/80/753472580.db2.gz SDKVXLPVDFREFT-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082473 753472586 /nfs/dbraw/zinc/47/25/86/753472586.db2.gz SDKVXLPVDFREFT-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047379689 754226504 /nfs/dbraw/zinc/22/65/04/754226504.db2.gz AFERZVGEMSPBRS-JYJNAYRXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047379689 754226510 /nfs/dbraw/zinc/22/65/10/754226510.db2.gz AFERZVGEMSPBRS-JYJNAYRXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047379689 754226516 /nfs/dbraw/zinc/22/65/16/754226516.db2.gz AFERZVGEMSPBRS-JYJNAYRXSA-N 2 1 307.438 0.386 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047382174 754230263 /nfs/dbraw/zinc/23/02/63/754230263.db2.gz XRAZZCJGSFVBGH-IKGGRYGDSA-N 2 1 321.465 0.798 20 30 DCEDMP C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001047401266 754246519 /nfs/dbraw/zinc/24/65/19/754246519.db2.gz JSHRNTFORMSEOY-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001047401266 754246526 /nfs/dbraw/zinc/24/65/26/754246526.db2.gz JSHRNTFORMSEOY-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001047401266 754246531 /nfs/dbraw/zinc/24/65/31/754246531.db2.gz JSHRNTFORMSEOY-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401266 754246536 /nfs/dbraw/zinc/24/65/36/754246536.db2.gz JSHRNTFORMSEOY-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401266 754246541 /nfs/dbraw/zinc/24/65/41/754246541.db2.gz JSHRNTFORMSEOY-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071944 754513060 /nfs/dbraw/zinc/51/30/60/754513060.db2.gz QYAPCOXJUCMKIG-KFWWJZLASA-N 2 1 320.441 0.536 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCOC)C2)CC1 ZINC001072095567 762352307 /nfs/dbraw/zinc/35/23/07/762352307.db2.gz KPOZOMPQKVAYDK-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049904590 755441506 /nfs/dbraw/zinc/44/15/06/755441506.db2.gz QHLRELORVTWVNS-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049904590 755441509 /nfs/dbraw/zinc/44/15/09/755441509.db2.gz QHLRELORVTWVNS-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904590 755441512 /nfs/dbraw/zinc/44/15/12/755441512.db2.gz QHLRELORVTWVNS-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904590 755441514 /nfs/dbraw/zinc/44/15/14/755441514.db2.gz QHLRELORVTWVNS-BRWVUGGUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947505 755882528 /nfs/dbraw/zinc/88/25/28/755882528.db2.gz RNSWPGDEHHVZPI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947505 755882531 /nfs/dbraw/zinc/88/25/31/755882531.db2.gz RNSWPGDEHHVZPI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947505 755882533 /nfs/dbraw/zinc/88/25/33/755882533.db2.gz RNSWPGDEHHVZPI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947505 755882539 /nfs/dbraw/zinc/88/25/39/755882539.db2.gz RNSWPGDEHHVZPI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC#C)CC2)CC1 ZINC001052959723 755886526 /nfs/dbraw/zinc/88/65/26/755886526.db2.gz WYTIPXNGPKGKHG-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328930 757038874 /nfs/dbraw/zinc/03/88/74/757038874.db2.gz SMKKXPVQDUMLBK-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082371637 757077706 /nfs/dbraw/zinc/07/77/06/757077706.db2.gz SVVDMKHFYOZIPG-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082371637 757077716 /nfs/dbraw/zinc/07/77/16/757077716.db2.gz SVVDMKHFYOZIPG-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472389 757742375 /nfs/dbraw/zinc/74/23/75/757742375.db2.gz ONJBEZLXOXXBMC-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472389 757742379 /nfs/dbraw/zinc/74/23/79/757742379.db2.gz ONJBEZLXOXXBMC-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532677 757896879 /nfs/dbraw/zinc/89/68/79/757896879.db2.gz JGYRPZOMJVBTKR-DSZOFWSKSA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532677 757896892 /nfs/dbraw/zinc/89/68/92/757896892.db2.gz JGYRPZOMJVBTKR-DSZOFWSKSA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532677 757896905 /nfs/dbraw/zinc/89/69/05/757896905.db2.gz JGYRPZOMJVBTKR-DSZOFWSKSA-N 2 1 315.417 0.016 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532677 757896917 /nfs/dbraw/zinc/89/69/17/757896917.db2.gz JGYRPZOMJVBTKR-DSZOFWSKSA-N 2 1 315.417 0.016 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001052083914 759167359 /nfs/dbraw/zinc/16/73/59/759167359.db2.gz QSZDWKAKLFUCQV-HOTGVXAUSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098391305 759208105 /nfs/dbraw/zinc/20/81/05/759208105.db2.gz AHHZHYAPANHAKI-KRWDZBQOSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001052386420 759388931 /nfs/dbraw/zinc/38/89/31/759388931.db2.gz CGVZGBLNNRBYDI-OAHLLOKOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCOC)CC1 ZINC001052456516 759429287 /nfs/dbraw/zinc/42/92/87/759429287.db2.gz GFQGOQVDHHKLHX-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCOC)CC1 ZINC001052456516 759429292 /nfs/dbraw/zinc/42/92/92/759429292.db2.gz GFQGOQVDHHKLHX-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCOC)CC1 ZINC001052456516 759429298 /nfs/dbraw/zinc/42/92/98/759429298.db2.gz GFQGOQVDHHKLHX-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCOC)CC1 ZINC001052456516 759429302 /nfs/dbraw/zinc/42/93/02/759429302.db2.gz GFQGOQVDHHKLHX-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001085986601 759547273 /nfs/dbraw/zinc/54/72/73/759547273.db2.gz IMYRMQJOFKNGSZ-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125071 760445895 /nfs/dbraw/zinc/44/58/95/760445895.db2.gz RJBKBPQZYQUDJC-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001109864916 761585681 /nfs/dbraw/zinc/58/56/81/761585681.db2.gz AWEDKLYDBWTLDM-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001109864916 761585689 /nfs/dbraw/zinc/58/56/89/761585689.db2.gz AWEDKLYDBWTLDM-PMPSAXMXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001071175336 761684346 /nfs/dbraw/zinc/68/43/46/761684346.db2.gz CKTHEBKPUDBGTB-RDJZCZTQSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141111 761692525 /nfs/dbraw/zinc/69/25/25/761692525.db2.gz LWCUBYODHKXGNZ-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241513 761732747 /nfs/dbraw/zinc/73/27/47/761732747.db2.gz WDYJTJICVBGIBR-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129421662 762933528 /nfs/dbraw/zinc/93/35/28/762933528.db2.gz BKWWVCHIGAABIM-GJZGRUSLSA-N 2 1 324.469 0.646 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001129771477 763008640 /nfs/dbraw/zinc/00/86/40/763008640.db2.gz YFYASHKDAMXWGY-CABCVRRESA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001129771477 763008647 /nfs/dbraw/zinc/00/86/47/763008647.db2.gz YFYASHKDAMXWGY-CABCVRRESA-N 2 1 307.438 0.605 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879091 763095058 /nfs/dbraw/zinc/09/50/58/763095058.db2.gz FGVCYCWINSDLIP-JKSUJKDBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100114330 763323735 /nfs/dbraw/zinc/32/37/35/763323735.db2.gz LSXVXQMCNZHBIJ-HOTGVXAUSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130708639 763455105 /nfs/dbraw/zinc/45/51/05/763455105.db2.gz BUFJEQYTABEYAJ-HUUCEWRRSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782804 768140018 /nfs/dbraw/zinc/14/00/18/768140018.db2.gz HBMWULYPDMYLBM-KONPQCLYSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782804 768140028 /nfs/dbraw/zinc/14/00/28/768140028.db2.gz HBMWULYPDMYLBM-KONPQCLYSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782804 768140036 /nfs/dbraw/zinc/14/00/36/768140036.db2.gz HBMWULYPDMYLBM-KONPQCLYSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782804 768140043 /nfs/dbraw/zinc/14/00/43/768140043.db2.gz HBMWULYPDMYLBM-KONPQCLYSA-N 2 1 319.449 0.509 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cncn1C ZINC001131101041 763644784 /nfs/dbraw/zinc/64/47/84/763644784.db2.gz JRBPMQCWCXOHQN-HUUCEWRRSA-N 2 1 319.453 0.832 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131380947 763781573 /nfs/dbraw/zinc/78/15/73/763781573.db2.gz FMLNQUDFYAICTO-UHFFFAOYSA-N 2 1 310.442 0.165 20 30 DCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519265 763843090 /nfs/dbraw/zinc/84/30/90/763843090.db2.gz BVECTRALDZDOCU-UJEKJILKSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132522863 764504088 /nfs/dbraw/zinc/50/40/88/764504088.db2.gz UKFXULAOIMKMBZ-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132522863 764504082 /nfs/dbraw/zinc/50/40/82/764504082.db2.gz UKFXULAOIMKMBZ-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132522863 764504084 /nfs/dbraw/zinc/50/40/84/764504084.db2.gz UKFXULAOIMKMBZ-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132522863 764504093 /nfs/dbraw/zinc/50/40/93/764504093.db2.gz UKFXULAOIMKMBZ-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320703 764595906 /nfs/dbraw/zinc/59/59/06/764595906.db2.gz PEQIYNPFHBJOMS-RBSFLKMASA-N 2 1 324.469 0.313 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330326 764602150 /nfs/dbraw/zinc/60/21/50/764602150.db2.gz PDEBNBCCIGZELE-BRWVUGGUSA-N 2 1 323.481 0.907 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580675 764712782 /nfs/dbraw/zinc/71/27/82/764712782.db2.gz GVXSEZRVXZGAJI-IXDOHACOSA-N 2 1 321.465 0.662 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090525368 766153232 /nfs/dbraw/zinc/15/32/32/766153232.db2.gz KWKZADZICWNVOT-HUUCEWRRSA-N 2 1 319.405 0.530 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001090618036 766383999 /nfs/dbraw/zinc/38/39/99/766383999.db2.gz ZMWCRVLHPCRFLZ-KGLIPLIRSA-N 2 1 304.394 0.191 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090672940 766455834 /nfs/dbraw/zinc/45/58/34/766455834.db2.gz HJRRHSUQXMMERJ-JKSUJKDBSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC001090706272 766493825 /nfs/dbraw/zinc/49/38/25/766493825.db2.gz HBUAMBAVSMABSE-IAGOWNOFSA-N 2 1 321.465 0.846 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001090706275 766494131 /nfs/dbraw/zinc/49/41/31/766494131.db2.gz HBUAMBAVSMABSE-SJORKVTESA-N 2 1 321.465 0.846 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090734305 766529841 /nfs/dbraw/zinc/52/98/41/766529841.db2.gz KKTBQZQKZXQZMH-HOCLYGCPSA-N 2 1 318.421 0.889 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090734305 766529846 /nfs/dbraw/zinc/52/98/46/766529846.db2.gz KKTBQZQKZXQZMH-HOCLYGCPSA-N 2 1 318.421 0.889 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001090830594 766648866 /nfs/dbraw/zinc/64/88/66/766648866.db2.gz NNVRQXMQKJRSCD-IRXDYDNUSA-N 2 1 319.449 0.293 20 30 DCEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1C#N ZINC001119515293 766707763 /nfs/dbraw/zinc/70/77/63/766707763.db2.gz BPKIKQDXEYFJTA-NSHDSACASA-N 2 1 304.398 0.714 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130352 766912066 /nfs/dbraw/zinc/91/20/66/766912066.db2.gz XJAUGHRXHXACQN-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333744 767424985 /nfs/dbraw/zinc/42/49/85/767424985.db2.gz QRIMCWMVGOOLMV-OLZOCXBDSA-N 2 1 321.425 0.367 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2=O)C1 ZINC001094713450 769171069 /nfs/dbraw/zinc/17/10/69/769171069.db2.gz BFIRIEZZLCANJS-UKRRQHHQSA-N 2 1 320.437 0.058 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713450 769171073 /nfs/dbraw/zinc/17/10/73/769171073.db2.gz BFIRIEZZLCANJS-UKRRQHHQSA-N 2 1 320.437 0.058 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151392962 769328825 /nfs/dbraw/zinc/32/88/25/769328825.db2.gz VEHGTRYIDKPUJB-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151408478 769333115 /nfs/dbraw/zinc/33/31/15/769333115.db2.gz KRJBSBHHLMOLCG-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171873634 769384465 /nfs/dbraw/zinc/38/44/65/769384465.db2.gz SHAYZRIOJFINPT-VUGNNNGISA-N 2 1 319.449 0.747 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452655 769817705 /nfs/dbraw/zinc/81/77/05/769817705.db2.gz UXALPIGQQDOCKE-BZUAXINKSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153452655 769817716 /nfs/dbraw/zinc/81/77/16/769817716.db2.gz UXALPIGQQDOCKE-BZUAXINKSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153452655 769817726 /nfs/dbraw/zinc/81/77/26/769817726.db2.gz UXALPIGQQDOCKE-BZUAXINKSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154396402 770168543 /nfs/dbraw/zinc/16/85/43/770168543.db2.gz HWVNNKGZPMMOEB-HCEZTOJASA-N 2 1 305.422 0.309 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176992631 770282403 /nfs/dbraw/zinc/28/24/03/770282403.db2.gz WABXFFQGCXSPBU-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045905 770600157 /nfs/dbraw/zinc/60/01/57/770600157.db2.gz ZDRQWXKYVRPIHW-MRXNPFEDSA-N 2 1 309.454 0.997 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001156146440 770732748 /nfs/dbraw/zinc/73/27/48/770732748.db2.gz YTKSQWBTSZJWKZ-INIZCTEOSA-N 2 1 316.405 0.485 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001156146440 770732752 /nfs/dbraw/zinc/73/27/52/770732752.db2.gz YTKSQWBTSZJWKZ-INIZCTEOSA-N 2 1 316.405 0.485 20 30 DCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178536252 770783291 /nfs/dbraw/zinc/78/32/91/770783291.db2.gz SKSKWPOKLUDUPQ-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)O)CC1 ZINC001157092351 771532189 /nfs/dbraw/zinc/53/21/89/771532189.db2.gz SZNVGYFWIRRQOR-HUUCEWRRSA-N 2 1 309.454 0.539 20 30 DCEDMP N#Cc1c(NC(=N)NCCCC[NH3+])ncc2c1CCC[NH2+]C2 ZINC001157093492 771532427 /nfs/dbraw/zinc/53/24/27/771532427.db2.gz CPNRBQANVVTBCC-UHFFFAOYSA-N 2 1 301.398 0.664 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158038086 771717432 /nfs/dbraw/zinc/71/74/32/771717432.db2.gz MUNRGTWYPQOEPD-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185293646 771901117 /nfs/dbraw/zinc/90/11/17/771901117.db2.gz IWLSHNLVGYZXQW-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cncc(F)c1 ZINC001160197699 772006829 /nfs/dbraw/zinc/00/68/29/772006829.db2.gz DCGVWUIXXLJQQJ-INIZCTEOSA-N 2 1 318.396 0.914 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cncc(F)c1 ZINC001160197699 772006836 /nfs/dbraw/zinc/00/68/36/772006836.db2.gz DCGVWUIXXLJQQJ-INIZCTEOSA-N 2 1 318.396 0.914 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(OC)no1 ZINC001160209285 772009863 /nfs/dbraw/zinc/00/98/63/772009863.db2.gz GQSKJKJMWGJVIZ-AWEZNQCLSA-N 2 1 320.393 0.377 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(OC)no1 ZINC001160209285 772009867 /nfs/dbraw/zinc/00/98/67/772009867.db2.gz GQSKJKJMWGJVIZ-AWEZNQCLSA-N 2 1 320.393 0.377 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCO)CC1 ZINC001160386450 772031268 /nfs/dbraw/zinc/03/12/68/772031268.db2.gz ZTJPEXPNPAZJIJ-KRWDZBQOSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCO)CC1 ZINC001160386450 772031271 /nfs/dbraw/zinc/03/12/71/772031271.db2.gz ZTJPEXPNPAZJIJ-KRWDZBQOSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCO)CC1 ZINC001160386450 772031274 /nfs/dbraw/zinc/03/12/74/772031274.db2.gz ZTJPEXPNPAZJIJ-KRWDZBQOSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCO)CC1 ZINC001160386450 772031278 /nfs/dbraw/zinc/03/12/78/772031278.db2.gz ZTJPEXPNPAZJIJ-KRWDZBQOSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC12CCOCC2 ZINC001186545573 772059565 /nfs/dbraw/zinc/05/95/65/772059565.db2.gz NCIGLFDWMAOZBM-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001161914783 772298938 /nfs/dbraw/zinc/29/89/38/772298938.db2.gz QKKUHPCFKMMLAZ-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161914783 772298939 /nfs/dbraw/zinc/29/89/39/772298939.db2.gz QKKUHPCFKMMLAZ-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161914783 772298940 /nfs/dbraw/zinc/29/89/40/772298940.db2.gz QKKUHPCFKMMLAZ-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161914783 772298941 /nfs/dbraw/zinc/29/89/41/772298941.db2.gz QKKUHPCFKMMLAZ-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)(COC)CC1 ZINC001162481604 772378724 /nfs/dbraw/zinc/37/87/24/772378724.db2.gz BMMBTAHICXFMRA-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001162605768 772397618 /nfs/dbraw/zinc/39/76/18/772397618.db2.gz HTWQJJSEGRPPEN-CQSZACIVSA-N 2 1 319.409 0.074 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166677723 772839242 /nfs/dbraw/zinc/83/92/42/772839242.db2.gz MATHZMNGVFYDSE-UONOGXRCSA-N 2 1 310.442 0.115 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030577 772860206 /nfs/dbraw/zinc/86/02/06/772860206.db2.gz RUOAJTBERYHVND-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469522 772994511 /nfs/dbraw/zinc/99/45/11/772994511.db2.gz KDOJIVPSNLHOBK-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193103067 773006076 /nfs/dbraw/zinc/00/60/76/773006076.db2.gz SIDGNTFGUVZTOE-RRFJBIMHSA-N 2 1 318.421 0.581 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193103067 773006081 /nfs/dbraw/zinc/00/60/81/773006081.db2.gz SIDGNTFGUVZTOE-RRFJBIMHSA-N 2 1 318.421 0.581 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001206031797 773041029 /nfs/dbraw/zinc/04/10/29/773041029.db2.gz WYYSCVLWUOHAPQ-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001206031797 773041031 /nfs/dbraw/zinc/04/10/31/773041031.db2.gz WYYSCVLWUOHAPQ-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001194247321 773167606 /nfs/dbraw/zinc/16/76/06/773167606.db2.gz WOBYKXBFSPZEJT-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208331700 773436122 /nfs/dbraw/zinc/43/61/22/773436122.db2.gz VZNMORPSDVKIHA-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485893 773474840 /nfs/dbraw/zinc/47/48/40/773474840.db2.gz VQTIXRSQLLETQC-GDBMZVCRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208573250 773500587 /nfs/dbraw/zinc/50/05/87/773500587.db2.gz VRSBKNZPWPQSRH-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284268 773789906 /nfs/dbraw/zinc/78/99/06/773789906.db2.gz KGYUPLGFOSOKLY-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211344057 773793317 /nfs/dbraw/zinc/79/33/17/773793317.db2.gz ZXGQFLUMYSSBLF-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001199384676 774100996 /nfs/dbraw/zinc/10/09/96/774100996.db2.gz MBNMBNOTUZKTJB-IAGOWNOFSA-N 2 1 317.433 0.856 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001199384676 774101001 /nfs/dbraw/zinc/10/10/01/774101001.db2.gz MBNMBNOTUZKTJB-IAGOWNOFSA-N 2 1 317.433 0.856 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001199384676 774101002 /nfs/dbraw/zinc/10/10/02/774101002.db2.gz MBNMBNOTUZKTJB-IAGOWNOFSA-N 2 1 317.433 0.856 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199384676 774101006 /nfs/dbraw/zinc/10/10/06/774101006.db2.gz MBNMBNOTUZKTJB-IAGOWNOFSA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219049300 774353220 /nfs/dbraw/zinc/35/32/20/774353220.db2.gz HXLFJBXCKCFXMD-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219049300 774353229 /nfs/dbraw/zinc/35/32/29/774353229.db2.gz HXLFJBXCKCFXMD-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479213 774360530 /nfs/dbraw/zinc/36/05/30/774360530.db2.gz OOHHRFJNTSYSCY-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCCO1 ZINC001201226470 774467343 /nfs/dbraw/zinc/46/73/43/774467343.db2.gz YMSDMELSVBMGEC-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201403605 774501865 /nfs/dbraw/zinc/50/18/65/774501865.db2.gz NCZJIDUVDJUANQ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944159 774653023 /nfs/dbraw/zinc/65/30/23/774653023.db2.gz RIIBYHFQBAWGDT-CABCVRRESA-N 2 1 307.438 0.742 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220868785 774940208 /nfs/dbraw/zinc/94/02/08/774940208.db2.gz UMCFMXJEFNPQSQ-GJZGRUSLSA-N 3 1 306.454 0.627 20 30 DCEDMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC#CCOC)[C@H]2C1)[NH+](C)C ZINC001222959043 775445396 /nfs/dbraw/zinc/44/53/96/775445396.db2.gz IYDHCYRTULFXHQ-ZACQAIPSSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cncn1C)C2 ZINC001111274701 775700639 /nfs/dbraw/zinc/70/06/39/775700639.db2.gz JIEVUCBMHNKLKR-BMFZPTHFSA-N 2 1 316.405 0.334 20 30 DCEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167169 777104661 /nfs/dbraw/zinc/10/46/61/777104661.db2.gz KFJMOFLHVBVTPP-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167169 777104669 /nfs/dbraw/zinc/10/46/69/777104669.db2.gz KFJMOFLHVBVTPP-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167169 777104676 /nfs/dbraw/zinc/10/46/76/777104676.db2.gz KFJMOFLHVBVTPP-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167169 777104681 /nfs/dbraw/zinc/10/46/81/777104681.db2.gz KFJMOFLHVBVTPP-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041838272 777533352 /nfs/dbraw/zinc/53/33/52/777533352.db2.gz VOQBZQWFHAQYQR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041838272 777533361 /nfs/dbraw/zinc/53/33/61/777533361.db2.gz VOQBZQWFHAQYQR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041838272 777533367 /nfs/dbraw/zinc/53/33/67/777533367.db2.gz VOQBZQWFHAQYQR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041838272 777533374 /nfs/dbraw/zinc/53/33/74/777533374.db2.gz VOQBZQWFHAQYQR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(C)(C)C ZINC001317597055 945099289 /nfs/dbraw/zinc/09/92/89/945099289.db2.gz QSZKJPKZZRLWHK-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(C)(C)C ZINC001317597055 945099291 /nfs/dbraw/zinc/09/92/91/945099291.db2.gz QSZKJPKZZRLWHK-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCO)CC1 ZINC001278184712 945169672 /nfs/dbraw/zinc/16/96/72/945169672.db2.gz QVHXSYFTVUWERP-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001278288260 945208325 /nfs/dbraw/zinc/20/83/25/945208325.db2.gz CAVHNYQEFKXUBM-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001278288260 945208330 /nfs/dbraw/zinc/20/83/30/945208330.db2.gz CAVHNYQEFKXUBM-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317861135 945209668 /nfs/dbraw/zinc/20/96/68/945209668.db2.gz MRCYTUACPHFVEC-GJZGRUSLSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317861135 945209675 /nfs/dbraw/zinc/20/96/75/945209675.db2.gz MRCYTUACPHFVEC-GJZGRUSLSA-N 2 1 322.453 0.021 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317861135 945209684 /nfs/dbraw/zinc/20/96/84/945209684.db2.gz MRCYTUACPHFVEC-GJZGRUSLSA-N 2 1 322.453 0.021 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC#C)C1 ZINC001266459234 939124492 /nfs/dbraw/zinc/12/44/92/939124492.db2.gz MEXGZALJROFVBI-IRXDYDNUSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001266459234 939124494 /nfs/dbraw/zinc/12/44/94/939124494.db2.gz MEXGZALJROFVBI-IRXDYDNUSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001266459234 939124495 /nfs/dbraw/zinc/12/44/95/939124495.db2.gz MEXGZALJROFVBI-IRXDYDNUSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001266459234 939124496 /nfs/dbraw/zinc/12/44/96/939124496.db2.gz MEXGZALJROFVBI-IRXDYDNUSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001266459234 939124497 /nfs/dbraw/zinc/12/44/97/939124497.db2.gz MEXGZALJROFVBI-IRXDYDNUSA-N 2 1 301.434 0.888 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266569919 939166761 /nfs/dbraw/zinc/16/67/61/939166761.db2.gz QPPPWEZSRFNFCO-KBPBESRZSA-N 2 1 310.442 0.208 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001278349567 945235426 /nfs/dbraw/zinc/23/54/26/945235426.db2.gz IYKMKGZUDWFCQP-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001278349567 945235438 /nfs/dbraw/zinc/23/54/38/945235438.db2.gz IYKMKGZUDWFCQP-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001278349567 945235447 /nfs/dbraw/zinc/23/54/47/945235447.db2.gz IYKMKGZUDWFCQP-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001266743590 939226679 /nfs/dbraw/zinc/22/66/79/939226679.db2.gz JRUMLKKPEUNULH-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC2CC2)C1 ZINC001267012114 939307761 /nfs/dbraw/zinc/30/77/61/939307761.db2.gz WLKVJHILRYOXOD-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC2CC2)C1 ZINC001267012114 939307764 /nfs/dbraw/zinc/30/77/64/939307764.db2.gz WLKVJHILRYOXOD-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267474360 939470837 /nfs/dbraw/zinc/47/08/37/939470837.db2.gz QQKOZEWKKQNUHZ-QGZVFWFLSA-N 2 1 317.433 0.987 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480975474 939508331 /nfs/dbraw/zinc/50/83/31/939508331.db2.gz VALDQIAANYQMLD-INIZCTEOSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001481247689 939670118 /nfs/dbraw/zinc/67/01/18/939670118.db2.gz SZCFXBFMJWGAQI-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccon1 ZINC001267988950 939722449 /nfs/dbraw/zinc/72/24/49/939722449.db2.gz CJBKJQIHJNHTFS-HIFRSBDPSA-N 2 1 304.394 0.614 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccon1 ZINC001267988950 939722451 /nfs/dbraw/zinc/72/24/51/939722451.db2.gz CJBKJQIHJNHTFS-HIFRSBDPSA-N 2 1 304.394 0.614 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001481319778 939746387 /nfs/dbraw/zinc/74/63/87/939746387.db2.gz NKTRXCRUARSBBQ-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001481472816 939886263 /nfs/dbraw/zinc/88/62/63/939886263.db2.gz YUUDACJPZAISDW-UHFFFAOYSA-N 2 1 322.497 0.818 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)CC[N@H+](C)CCC)CC1 ZINC001481472816 939886265 /nfs/dbraw/zinc/88/62/65/939886265.db2.gz YUUDACJPZAISDW-UHFFFAOYSA-N 2 1 322.497 0.818 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001481472816 939886267 /nfs/dbraw/zinc/88/62/67/939886267.db2.gz YUUDACJPZAISDW-UHFFFAOYSA-N 2 1 322.497 0.818 20 30 DCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)CC[N@H+](C)CCC)CC1 ZINC001481472816 939886270 /nfs/dbraw/zinc/88/62/70/939886270.db2.gz YUUDACJPZAISDW-UHFFFAOYSA-N 2 1 322.497 0.818 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001481508059 939906947 /nfs/dbraw/zinc/90/69/47/939906947.db2.gz HRQOXZNDYNRYRF-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001481508059 939906949 /nfs/dbraw/zinc/90/69/49/939906949.db2.gz HRQOXZNDYNRYRF-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001481508059 939906951 /nfs/dbraw/zinc/90/69/51/939906951.db2.gz HRQOXZNDYNRYRF-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001481508059 939906952 /nfs/dbraw/zinc/90/69/52/939906952.db2.gz HRQOXZNDYNRYRF-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCOC)C1 ZINC001481535333 939924082 /nfs/dbraw/zinc/92/40/82/939924082.db2.gz BKSXCQIKPJDPOJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC#CCOC)C2)CC1 ZINC001481661514 940020209 /nfs/dbraw/zinc/02/02/09/940020209.db2.gz XYTIDYRJQPVDRV-UHFFFAOYSA-N 2 1 317.433 0.029 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268321344 940057668 /nfs/dbraw/zinc/05/76/68/940057668.db2.gz MOSMTUQYQRLZCE-CZUORRHYSA-N 2 1 313.417 0.289 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481739516 940101156 /nfs/dbraw/zinc/10/11/56/940101156.db2.gz ZRGBYLGCWQKZFN-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481739516 940101159 /nfs/dbraw/zinc/10/11/59/940101159.db2.gz ZRGBYLGCWQKZFN-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)COC(C)(C)C ZINC001245999786 945309534 /nfs/dbraw/zinc/30/95/34/945309534.db2.gz JXQUIGMTHTVFOV-KGLIPLIRSA-N 2 1 316.442 0.979 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001482189687 940325086 /nfs/dbraw/zinc/32/50/86/940325086.db2.gz GUNLVAFIVAARQV-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001482189687 940325089 /nfs/dbraw/zinc/32/50/89/940325089.db2.gz GUNLVAFIVAARQV-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001482189687 940325090 /nfs/dbraw/zinc/32/50/90/940325090.db2.gz GUNLVAFIVAARQV-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001482189687 940325094 /nfs/dbraw/zinc/32/50/94/940325094.db2.gz GUNLVAFIVAARQV-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318356284 945332542 /nfs/dbraw/zinc/33/25/42/945332542.db2.gz WVXCAIHIBIYJSD-RBSFLKMASA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318356284 945332552 /nfs/dbraw/zinc/33/25/52/945332552.db2.gz WVXCAIHIBIYJSD-RBSFLKMASA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001269138593 940629973 /nfs/dbraw/zinc/62/99/73/940629973.db2.gz SISLVORJCIVEBS-KFWWJZLASA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001269138593 940629976 /nfs/dbraw/zinc/62/99/76/940629976.db2.gz SISLVORJCIVEBS-KFWWJZLASA-N 2 1 322.453 0.304 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)on1 ZINC001270427004 940898838 /nfs/dbraw/zinc/89/88/38/940898838.db2.gz GRIQICNVPZSJID-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)on1 ZINC001270427004 940898846 /nfs/dbraw/zinc/89/88/46/940898846.db2.gz GRIQICNVPZSJID-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001270665342 940959837 /nfs/dbraw/zinc/95/98/37/940959837.db2.gz OQQXAHFNSIFXSJ-RHSMWYFYSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001270665342 940959843 /nfs/dbraw/zinc/95/98/43/940959843.db2.gz OQQXAHFNSIFXSJ-RHSMWYFYSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001270665342 940959844 /nfs/dbraw/zinc/95/98/44/940959844.db2.gz OQQXAHFNSIFXSJ-RHSMWYFYSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001270665342 940959845 /nfs/dbraw/zinc/95/98/45/940959845.db2.gz OQQXAHFNSIFXSJ-RHSMWYFYSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001271209174 941322810 /nfs/dbraw/zinc/32/28/10/941322810.db2.gz MDWLIZWWWCPICA-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271209174 941322812 /nfs/dbraw/zinc/32/28/12/941322812.db2.gz MDWLIZWWWCPICA-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271209174 941322815 /nfs/dbraw/zinc/32/28/15/941322815.db2.gz MDWLIZWWWCPICA-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2C1)[NH+](C)C ZINC001271892653 941473602 /nfs/dbraw/zinc/47/36/02/941473602.db2.gz UZRQHZROYLCHCN-OWCLPIDISA-N 2 1 307.438 0.367 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001482564947 941506549 /nfs/dbraw/zinc/50/65/49/941506549.db2.gz IIFAPSCRZVRCON-HOTGVXAUSA-N 2 1 309.454 0.708 20 30 DCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484437239 943382281 /nfs/dbraw/zinc/38/22/81/943382281.db2.gz DWYFKNSUWAVOPW-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484437239 943382284 /nfs/dbraw/zinc/38/22/84/943382284.db2.gz DWYFKNSUWAVOPW-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484437239 943382288 /nfs/dbraw/zinc/38/22/88/943382288.db2.gz DWYFKNSUWAVOPW-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484842243 943590462 /nfs/dbraw/zinc/59/04/62/943590462.db2.gz WNFJSWMOUIEZJE-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485505522 943972806 /nfs/dbraw/zinc/97/28/06/943972806.db2.gz GDIXNRGBZUBBLE-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485505522 943972809 /nfs/dbraw/zinc/97/28/09/943972809.db2.gz GDIXNRGBZUBBLE-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001276606821 944229433 /nfs/dbraw/zinc/22/94/33/944229433.db2.gz AUUKLLDKFHEMTB-MRXNPFEDSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001276606821 944229439 /nfs/dbraw/zinc/22/94/39/944229439.db2.gz AUUKLLDKFHEMTB-MRXNPFEDSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001486010661 944495712 /nfs/dbraw/zinc/49/57/12/944495712.db2.gz LRSBHGPIOJCBAT-AWEZNQCLSA-N 2 1 309.454 0.729 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001486237886 944662301 /nfs/dbraw/zinc/66/23/01/944662301.db2.gz MQMUGTAZTDJRKI-HNNXBMFYSA-N 2 1 318.421 0.668 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001486312174 944771884 /nfs/dbraw/zinc/77/18/84/944771884.db2.gz SCWJBKQZUPIHBV-GDBMZVCRSA-N 2 1 318.421 0.186 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001317512437 945011106 /nfs/dbraw/zinc/01/11/06/945011106.db2.gz LNXDXEKAOHQPEL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001317512437 945011117 /nfs/dbraw/zinc/01/11/17/945011117.db2.gz LNXDXEKAOHQPEL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001317512437 945011128 /nfs/dbraw/zinc/01/11/28/945011128.db2.gz LNXDXEKAOHQPEL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001317512437 945011139 /nfs/dbraw/zinc/01/11/39/945011139.db2.gz LNXDXEKAOHQPEL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246310043 945380225 /nfs/dbraw/zinc/38/02/25/945380225.db2.gz YMMGGRSFXJIZQE-OLZOCXBDSA-N 3 1 313.467 0.650 20 30 DCEDMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318483328 945381422 /nfs/dbraw/zinc/38/14/22/945381422.db2.gz PRLNEYHKSZHYSP-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001246302818 945381670 /nfs/dbraw/zinc/38/16/70/945381670.db2.gz FTLNJQIVAPGHKT-KKUMJFAQSA-N 2 1 323.437 0.956 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001318843897 945452087 /nfs/dbraw/zinc/45/20/87/945452087.db2.gz VERXFGSRYDURKT-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001320068495 945731599 /nfs/dbraw/zinc/73/15/99/945731599.db2.gz JKUYVHROJQDLMH-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001320068495 945731602 /nfs/dbraw/zinc/73/16/02/945731602.db2.gz JKUYVHROJQDLMH-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320068495 945731604 /nfs/dbraw/zinc/73/16/04/945731604.db2.gz JKUYVHROJQDLMH-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320068495 945731606 /nfs/dbraw/zinc/73/16/06/945731606.db2.gz JKUYVHROJQDLMH-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP COCC#CCN(C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320084358 945735550 /nfs/dbraw/zinc/73/55/50/945735550.db2.gz IDURWKXUCDBTII-IYBDPMFKSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001320084358 945735553 /nfs/dbraw/zinc/73/55/53/945735553.db2.gz IDURWKXUCDBTII-IYBDPMFKSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001320084358 945735555 /nfs/dbraw/zinc/73/55/55/945735555.db2.gz IDURWKXUCDBTII-IYBDPMFKSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320084358 945735559 /nfs/dbraw/zinc/73/55/59/945735559.db2.gz IDURWKXUCDBTII-IYBDPMFKSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320084358 945735563 /nfs/dbraw/zinc/73/55/63/945735563.db2.gz IDURWKXUCDBTII-IYBDPMFKSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCOC[C@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001251835840 945788034 /nfs/dbraw/zinc/78/80/34/945788034.db2.gz PZNMOSVBQRMMPP-MSOLQXFVSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001251835840 945788039 /nfs/dbraw/zinc/78/80/39/945788039.db2.gz PZNMOSVBQRMMPP-MSOLQXFVSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@H](O)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001251835840 945788045 /nfs/dbraw/zinc/78/80/45/945788045.db2.gz PZNMOSVBQRMMPP-MSOLQXFVSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001251835840 945788050 /nfs/dbraw/zinc/78/80/50/945788050.db2.gz PZNMOSVBQRMMPP-MSOLQXFVSA-N 2 1 324.465 0.820 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCOCC1 ZINC001278707382 946101567 /nfs/dbraw/zinc/10/15/67/946101567.db2.gz JVBHWYOOJKOKBU-OAHLLOKOSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001278755855 946219351 /nfs/dbraw/zinc/21/93/51/946219351.db2.gz IMGOLDCHHOFVFY-KBPBESRZSA-N 2 1 306.410 0.439 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001278787934 946396714 /nfs/dbraw/zinc/39/67/14/946396714.db2.gz XYHKUENSPABYRW-GOSISDBHSA-N 2 1 321.465 0.992 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809696 946429663 /nfs/dbraw/zinc/42/96/63/946429663.db2.gz HFEOURSMWSKYEF-QGZVFWFLSA-N 2 1 318.421 0.583 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278809696 946429670 /nfs/dbraw/zinc/42/96/70/946429670.db2.gz HFEOURSMWSKYEF-QGZVFWFLSA-N 2 1 318.421 0.583 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CCCCC)C2)CC1 ZINC001278931547 946623495 /nfs/dbraw/zinc/62/34/95/946623495.db2.gz CQUQRGONADHSRA-UHFFFAOYSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279027954 946751220 /nfs/dbraw/zinc/75/12/20/946751220.db2.gz KMMGHLLRRLTCMU-ZIAGYGMSSA-N 2 1 324.469 0.361 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001279045197 946767183 /nfs/dbraw/zinc/76/71/83/946767183.db2.gz SDMRUAKPWIPVBS-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001279045197 946767194 /nfs/dbraw/zinc/76/71/94/946767194.db2.gz SDMRUAKPWIPVBS-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CCOC ZINC001279045197 946767200 /nfs/dbraw/zinc/76/72/00/946767200.db2.gz SDMRUAKPWIPVBS-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CCOC ZINC001279045197 946767219 /nfs/dbraw/zinc/76/72/19/946767219.db2.gz SDMRUAKPWIPVBS-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001410764816 946907375 /nfs/dbraw/zinc/90/73/75/946907375.db2.gz SPPKGSOXTINHHX-ZDUSSCGKSA-N 2 1 303.834 0.538 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001411109035 947342037 /nfs/dbraw/zinc/34/20/37/947342037.db2.gz ZJEIJBUUODAGKH-YPMHNXCESA-N 2 1 303.834 0.490 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001325101294 947651608 /nfs/dbraw/zinc/65/16/08/947651608.db2.gz FWZBKHGOFWBHLP-MRXNPFEDSA-N 2 1 321.446 0.610 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001325100391 947652136 /nfs/dbraw/zinc/65/21/36/947652136.db2.gz ADPZROYSDADPMD-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001325100391 947652148 /nfs/dbraw/zinc/65/21/48/947652148.db2.gz ADPZROYSDADPMD-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325109714 947658765 /nfs/dbraw/zinc/65/87/65/947658765.db2.gz GVUQGRUFRYLPOO-RDJZCZTQSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109714 947658768 /nfs/dbraw/zinc/65/87/68/947658768.db2.gz GVUQGRUFRYLPOO-RDJZCZTQSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001325109714 947658773 /nfs/dbraw/zinc/65/87/73/947658773.db2.gz GVUQGRUFRYLPOO-RDJZCZTQSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001493111237 947698235 /nfs/dbraw/zinc/69/82/35/947698235.db2.gz PBNWFCUOOBIGCY-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001493111237 947698242 /nfs/dbraw/zinc/69/82/42/947698242.db2.gz PBNWFCUOOBIGCY-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001493111237 947698249 /nfs/dbraw/zinc/69/82/49/947698249.db2.gz PBNWFCUOOBIGCY-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001493111237 947698257 /nfs/dbraw/zinc/69/82/57/947698257.db2.gz PBNWFCUOOBIGCY-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001325759968 947915864 /nfs/dbraw/zinc/91/58/64/947915864.db2.gz BGPCQAXXUJOWBQ-XHSDSOJGSA-N 2 1 309.454 0.919 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001273546338 947953072 /nfs/dbraw/zinc/95/30/72/947953072.db2.gz MBITYOJYFZDGJG-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001326080560 948045630 /nfs/dbraw/zinc/04/56/30/948045630.db2.gz SLGCOBBGVGTPDN-QGZVFWFLSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273753213 948067661 /nfs/dbraw/zinc/06/76/61/948067661.db2.gz SGXZESYWOVQIJJ-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001326829477 948293382 /nfs/dbraw/zinc/29/33/82/948293382.db2.gz RDBCYFWAJFRNDM-CQSZACIVSA-N 2 1 323.441 0.066 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001263919161 948807448 /nfs/dbraw/zinc/80/74/48/948807448.db2.gz IGAZVLQNWBGHHW-IXDOHACOSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC=C)[C@H](OCC)C1 ZINC001263968113 948816985 /nfs/dbraw/zinc/81/69/85/948816985.db2.gz OWPUWTKCEUMTQZ-IXDOHACOSA-N 2 1 319.449 0.723 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC=C)[C@H](OCC)C1 ZINC001263968113 948816996 /nfs/dbraw/zinc/81/69/96/948816996.db2.gz OWPUWTKCEUMTQZ-IXDOHACOSA-N 2 1 319.449 0.723 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264078844 948861821 /nfs/dbraw/zinc/86/18/21/948861821.db2.gz SDHCAFRADPTOPU-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001264078844 948861833 /nfs/dbraw/zinc/86/18/33/948861833.db2.gz SDHCAFRADPTOPU-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001264078844 948861849 /nfs/dbraw/zinc/86/18/49/948861849.db2.gz SDHCAFRADPTOPU-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001328529113 948943238 /nfs/dbraw/zinc/94/32/38/948943238.db2.gz FZKWFTQCRLANSU-INIZCTEOSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265119646 949334695 /nfs/dbraw/zinc/33/46/95/949334695.db2.gz LVUQFGNKQGZRNI-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001265119646 949334716 /nfs/dbraw/zinc/33/47/16/949334716.db2.gz LVUQFGNKQGZRNI-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001265119646 949334740 /nfs/dbraw/zinc/33/47/40/949334740.db2.gz LVUQFGNKQGZRNI-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265509163 949737112 /nfs/dbraw/zinc/73/71/12/949737112.db2.gz UUSJJAXAWSGRLJ-MGPQQGTHSA-N 2 1 310.442 0.254 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001265909710 950127049 /nfs/dbraw/zinc/12/70/49/950127049.db2.gz CJTUOGFPAWLQOR-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001265909710 950127061 /nfs/dbraw/zinc/12/70/61/950127061.db2.gz CJTUOGFPAWLQOR-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001265909710 950127075 /nfs/dbraw/zinc/12/70/75/950127075.db2.gz CJTUOGFPAWLQOR-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001279517686 950609371 /nfs/dbraw/zinc/60/93/71/950609371.db2.gz ADGOJYIGBFLHAL-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001279517686 950609389 /nfs/dbraw/zinc/60/93/89/950609389.db2.gz ADGOJYIGBFLHAL-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001490456709 950760465 /nfs/dbraw/zinc/76/04/65/950760465.db2.gz RYMMGTSNMANYMD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001490456709 950760478 /nfs/dbraw/zinc/76/04/78/950760478.db2.gz RYMMGTSNMANYMD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001490456709 950760493 /nfs/dbraw/zinc/76/04/93/950760493.db2.gz RYMMGTSNMANYMD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001490456709 950760510 /nfs/dbraw/zinc/76/05/10/950760510.db2.gz RYMMGTSNMANYMD-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001274269776 951525100 /nfs/dbraw/zinc/52/51/00/951525100.db2.gz NKJXZLBDSYGAEL-SFHVURJKSA-N 2 1 324.384 0.999 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001274269776 951525112 /nfs/dbraw/zinc/52/51/12/951525112.db2.gz NKJXZLBDSYGAEL-SFHVURJKSA-N 2 1 324.384 0.999 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)C ZINC001332523885 951680072 /nfs/dbraw/zinc/68/00/72/951680072.db2.gz YVNSSNVRXMAUDS-HOTGVXAUSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)C ZINC001332523885 951680075 /nfs/dbraw/zinc/68/00/75/951680075.db2.gz YVNSSNVRXMAUDS-HOTGVXAUSA-N 2 1 309.454 0.539 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274719999 951805455 /nfs/dbraw/zinc/80/54/55/951805455.db2.gz NRXARFCHMNRNDR-BFHYXJOUSA-N 2 1 310.442 0.113 20 30 DCEDMP C#CCN1CC[NH+](CCCCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001274878545 951870330 /nfs/dbraw/zinc/87/03/30/951870330.db2.gz AZCIYXRCRSROQJ-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001275828242 952483936 /nfs/dbraw/zinc/48/39/36/952483936.db2.gz VYHXDFFVABGFSL-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001275828242 952483938 /nfs/dbraw/zinc/48/39/38/952483938.db2.gz VYHXDFFVABGFSL-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001275828242 952483942 /nfs/dbraw/zinc/48/39/42/952483942.db2.gz VYHXDFFVABGFSL-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335547168 952554400 /nfs/dbraw/zinc/55/44/00/952554400.db2.gz VDMDTACLDFAYGP-IYBDPMFKSA-N 2 1 322.453 0.799 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC001343390984 953343647 /nfs/dbraw/zinc/34/36/47/953343647.db2.gz BILSNHUNVVQWIV-OAHLLOKOSA-N 2 1 324.469 0.777 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H](C)C[NH+]2CCOCC2)CCCCC1 ZINC001282627715 953636397 /nfs/dbraw/zinc/63/63/97/953636397.db2.gz VCRMQWRDQNFCCI-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001283041598 953947558 /nfs/dbraw/zinc/94/75/58/953947558.db2.gz BUWMCNHISYBWBY-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284067782 954825152 /nfs/dbraw/zinc/82/51/52/954825152.db2.gz MNWPIGCYVQRXFU-FUHWJXTLSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284067782 954825164 /nfs/dbraw/zinc/82/51/64/954825164.db2.gz MNWPIGCYVQRXFU-FUHWJXTLSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001358347172 957448342 /nfs/dbraw/zinc/44/83/42/957448342.db2.gz AMOXUVXAZVABMB-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001358347172 957448348 /nfs/dbraw/zinc/44/83/48/957448348.db2.gz AMOXUVXAZVABMB-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491675280 959116772 /nfs/dbraw/zinc/11/67/72/959116772.db2.gz ZAVJYBDXHROFCG-GHMZBOCLSA-N 2 1 304.232 0.941 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001317330548 960075696 /nfs/dbraw/zinc/07/56/96/960075696.db2.gz MFLPDIAKROZWPR-OAHLLOKOSA-N 2 1 306.410 0.832 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001316747478 960360951 /nfs/dbraw/zinc/36/09/51/960360951.db2.gz JACJYKYMIJBJKD-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001316747478 960360959 /nfs/dbraw/zinc/36/09/59/960360959.db2.gz JACJYKYMIJBJKD-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001316747478 960360967 /nfs/dbraw/zinc/36/09/67/960360967.db2.gz JACJYKYMIJBJKD-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001369482475 965054488 /nfs/dbraw/zinc/05/44/88/965054488.db2.gz IIMDTDYBEPGKTD-MELADBBJSA-N 2 1 317.861 0.878 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507029733 1015901944 /nfs/dbraw/zinc/90/19/44/1015901944.db2.gz YYJPVDAHPQOAJF-RDJZCZTQSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001502598504 1015990987 /nfs/dbraw/zinc/99/09/87/1015990987.db2.gz ZDJAHNDGMFNFKS-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419237878 1000906086 /nfs/dbraw/zinc/90/60/86/1000906086.db2.gz BJWQFQOXQUFHHE-STQMWFEESA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419237878 1000906091 /nfs/dbraw/zinc/90/60/91/1000906091.db2.gz BJWQFQOXQUFHHE-STQMWFEESA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001403665301 1002306652 /nfs/dbraw/zinc/30/66/52/1002306652.db2.gz BYFJYXFLLLXLQR-STQMWFEESA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001403665301 1002306674 /nfs/dbraw/zinc/30/66/74/1002306674.db2.gz BYFJYXFLLLXLQR-STQMWFEESA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001437295938 1006813557 /nfs/dbraw/zinc/81/35/57/1006813557.db2.gz MSSOHQKLSFDFGY-CHWSQXEVSA-N 2 1 301.818 0.508 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001437295938 1006813567 /nfs/dbraw/zinc/81/35/67/1006813567.db2.gz MSSOHQKLSFDFGY-CHWSQXEVSA-N 2 1 301.818 0.508 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001421981520 1009359223 /nfs/dbraw/zinc/35/92/23/1009359223.db2.gz JTCULBKGTYCHER-QWHCGFSZSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001421981520 1009359237 /nfs/dbraw/zinc/35/92/37/1009359237.db2.gz JTCULBKGTYCHER-QWHCGFSZSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CC[NH+]1CCOCC1 ZINC001444008893 1010799134 /nfs/dbraw/zinc/79/91/34/1010799134.db2.gz CWDMYWGZCRVWKV-CYBMUJFWSA-N 2 1 303.834 0.946 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001423252552 1011018498 /nfs/dbraw/zinc/01/84/98/1011018498.db2.gz SPZSOISLMRYHBJ-UONOGXRCSA-N 2 1 317.861 0.928 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001423252552 1011018504 /nfs/dbraw/zinc/01/85/04/1011018504.db2.gz SPZSOISLMRYHBJ-UONOGXRCSA-N 2 1 317.861 0.928 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001521490671 1017387543 /nfs/dbraw/zinc/38/75/43/1017387543.db2.gz UIOUZCOIAUCALH-HOTGVXAUSA-N 2 1 324.469 0.193 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCC[C@@H](C)O)C2)CC1 ZINC001499794763 1018081134 /nfs/dbraw/zinc/08/11/34/1018081134.db2.gz DCUYDLUDSNLRFZ-OAHLLOKOSA-N 2 1 321.465 0.635 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494861664 1018110608 /nfs/dbraw/zinc/11/06/08/1018110608.db2.gz AFKFLKFDVLQIGG-CVEARBPZSA-N 2 1 309.454 0.755 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494861664 1018110613 /nfs/dbraw/zinc/11/06/13/1018110613.db2.gz AFKFLKFDVLQIGG-CVEARBPZSA-N 2 1 309.454 0.755 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1 ZINC001480064834 1018174836 /nfs/dbraw/zinc/17/48/36/1018174836.db2.gz DDPDANJFYDOHFH-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCOC)C1CCCC1 ZINC001500094299 1018216161 /nfs/dbraw/zinc/21/61/61/1018216161.db2.gz CHQOKEKBDJYHLM-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCOC)C1CCCC1 ZINC001500094299 1018216171 /nfs/dbraw/zinc/21/61/71/1018216171.db2.gz CHQOKEKBDJYHLM-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001500485061 1018470765 /nfs/dbraw/zinc/47/07/65/1018470765.db2.gz GKCGHHZTBKJFKP-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001500485061 1018470770 /nfs/dbraw/zinc/47/07/70/1018470770.db2.gz GKCGHHZTBKJFKP-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001500485061 1018470777 /nfs/dbraw/zinc/47/07/77/1018470777.db2.gz GKCGHHZTBKJFKP-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001500485061 1018470780 /nfs/dbraw/zinc/47/07/80/1018470780.db2.gz GKCGHHZTBKJFKP-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001500519034 1018482066 /nfs/dbraw/zinc/48/20/66/1018482066.db2.gz JEAVJPLGZTZUGN-KRWDZBQOSA-N 2 1 324.469 0.459 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001500519034 1018482077 /nfs/dbraw/zinc/48/20/77/1018482077.db2.gz JEAVJPLGZTZUGN-KRWDZBQOSA-N 2 1 324.469 0.459 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001500686744 1018579652 /nfs/dbraw/zinc/57/96/52/1018579652.db2.gz KOPRUAUTDHHGOI-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001500686744 1018579660 /nfs/dbraw/zinc/57/96/60/1018579660.db2.gz KOPRUAUTDHHGOI-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001500686744 1018579666 /nfs/dbraw/zinc/57/96/66/1018579666.db2.gz KOPRUAUTDHHGOI-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001501487295 1019233081 /nfs/dbraw/zinc/23/30/81/1019233081.db2.gz DKLBUVFKWDXEFS-AWEZNQCLSA-N 2 1 306.410 0.350 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001501569029 1019298363 /nfs/dbraw/zinc/29/83/63/1019298363.db2.gz RNUYGEILXQXCIU-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCC(C)(C)C ZINC001496999647 1019902602 /nfs/dbraw/zinc/90/26/02/1019902602.db2.gz WWVIGEXKLHIBLP-GJZGRUSLSA-N 2 1 309.454 0.587 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCC(C)(C)C ZINC001496999647 1019902608 /nfs/dbraw/zinc/90/26/08/1019902608.db2.gz WWVIGEXKLHIBLP-GJZGRUSLSA-N 2 1 309.454 0.587 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc2c1OCO2 ZINC000170908933 237128267 /nfs/dbraw/zinc/12/82/67/237128267.db2.gz GYJBVJIQNYMYDK-UHFFFAOYSA-N 2 1 320.393 0.542 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)c1cccc(F)c1 ZINC000264068374 238188776 /nfs/dbraw/zinc/18/87/76/238188776.db2.gz CGBLYPFROAERTQ-HNNXBMFYSA-N 2 1 324.400 0.486 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000491656342 533103156 /nfs/dbraw/zinc/10/31/56/533103156.db2.gz SFEAFXHXLWNBQF-INIZCTEOSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000491656342 533103159 /nfs/dbraw/zinc/10/31/59/533103159.db2.gz SFEAFXHXLWNBQF-INIZCTEOSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000491656342 533103163 /nfs/dbraw/zinc/10/31/63/533103163.db2.gz SFEAFXHXLWNBQF-INIZCTEOSA-N 2 1 323.485 0.267 20 30 DCEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957205 395857589 /nfs/dbraw/zinc/85/75/89/395857589.db2.gz IRRHODRPMIUFIW-UHFFFAOYSA-N 2 1 324.425 0.042 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000592493859 397193158 /nfs/dbraw/zinc/19/31/58/397193158.db2.gz CAQQBCBARFYRCL-STQMWFEESA-N 2 1 324.425 0.074 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000592493859 397193162 /nfs/dbraw/zinc/19/31/62/397193162.db2.gz CAQQBCBARFYRCL-STQMWFEESA-N 2 1 324.425 0.074 20 30 DCEDMP C#CCNC(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491202240 397501141 /nfs/dbraw/zinc/50/11/41/397501141.db2.gz NAAFPIGMGQLLFH-CVEARBPZSA-N 2 1 306.454 0.084 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000337177993 415922228 /nfs/dbraw/zinc/92/22/28/415922228.db2.gz KJAOFQZNAQSQAJ-HOTGVXAUSA-N 2 1 306.454 0.485 20 30 DCEDMP CCO[C@@H]1C[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C12CCC2 ZINC000304777531 416103606 /nfs/dbraw/zinc/10/36/06/416103606.db2.gz DPNRPJKHONYQLF-LSDHHAIUSA-N 2 1 324.469 0.961 20 30 DCEDMP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)C1=CC[NH+](C)CC1 ZINC000329526256 416174362 /nfs/dbraw/zinc/17/43/62/416174362.db2.gz HLROJRVSWMEPAA-QLFBSQMISA-N 2 1 324.469 0.938 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000329526256 416174366 /nfs/dbraw/zinc/17/43/66/416174366.db2.gz HLROJRVSWMEPAA-QLFBSQMISA-N 2 1 324.469 0.938 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000329526256 416174370 /nfs/dbraw/zinc/17/43/70/416174370.db2.gz HLROJRVSWMEPAA-QLFBSQMISA-N 2 1 324.469 0.938 20 30 DCEDMP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000329526257 416175093 /nfs/dbraw/zinc/17/50/93/416175093.db2.gz HLROJRVSWMEPAA-SOUVJXGZSA-N 2 1 324.469 0.938 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000329526257 416175098 /nfs/dbraw/zinc/17/50/98/416175098.db2.gz HLROJRVSWMEPAA-SOUVJXGZSA-N 2 1 324.469 0.938 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000329526257 416175100 /nfs/dbraw/zinc/17/51/00/416175100.db2.gz HLROJRVSWMEPAA-SOUVJXGZSA-N 2 1 324.469 0.938 20 30 DCEDMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330853617 416243542 /nfs/dbraw/zinc/24/35/42/416243542.db2.gz OKJQCKWCCWRPDP-MCIONIFRSA-N 2 1 300.447 0.628 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@H]12 ZINC000341913417 416251573 /nfs/dbraw/zinc/25/15/73/416251573.db2.gz RYYXXIMSYZKXOB-ONTMVUMWSA-N 2 1 304.434 0.395 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[N@@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@H]12 ZINC000341913417 416251576 /nfs/dbraw/zinc/25/15/76/416251576.db2.gz RYYXXIMSYZKXOB-ONTMVUMWSA-N 2 1 304.434 0.395 20 30 DCEDMP O[C@@H]1CC[C@@H]2C[N@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@H]12 ZINC000341913417 416251579 /nfs/dbraw/zinc/25/15/79/416251579.db2.gz RYYXXIMSYZKXOB-ONTMVUMWSA-N 2 1 304.434 0.395 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000491627765 416607157 /nfs/dbraw/zinc/60/71/57/416607157.db2.gz MSKPDHCDTOCKFQ-UHFFFAOYSA-N 2 1 316.405 0.416 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000491631287 416607290 /nfs/dbraw/zinc/60/72/90/416607290.db2.gz QDXLMDWRATVHAK-UHFFFAOYSA-N 2 1 310.442 0.040 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@](CC)(CO)C2)CC1 ZINC000491044238 416583693 /nfs/dbraw/zinc/58/36/93/416583693.db2.gz GJZDDWNNIKKMME-KRWDZBQOSA-N 2 1 307.438 0.248 20 30 DCEDMP C#CCN1CCN(C(=O)CN2CCC[C@](CC)(CO)C2)CC1 ZINC000491044238 416583696 /nfs/dbraw/zinc/58/36/96/416583696.db2.gz GJZDDWNNIKKMME-KRWDZBQOSA-N 2 1 307.438 0.248 20 30 DCEDMP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000575861385 417557393 /nfs/dbraw/zinc/55/73/93/417557393.db2.gz FEBKGZFAKYQYNI-GOSISDBHSA-N 2 1 316.449 0.988 20 30 DCEDMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000575861385 417557397 /nfs/dbraw/zinc/55/73/97/417557397.db2.gz FEBKGZFAKYQYNI-GOSISDBHSA-N 2 1 316.449 0.988 20 30 DCEDMP C[C@]12COC[C@H]1C[N@@H+](CC#CC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702885 418357372 /nfs/dbraw/zinc/35/73/72/418357372.db2.gz IJBPAPKIXQSATJ-MHORFTMASA-N 2 1 304.434 0.926 20 30 DCEDMP C[C@]12COC[C@H]1C[NH+](CC#CC[N@@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702885 418357374 /nfs/dbraw/zinc/35/73/74/418357374.db2.gz IJBPAPKIXQSATJ-MHORFTMASA-N 2 1 304.434 0.926 20 30 DCEDMP C[C@]12COC[C@H]1C[NH+](CC#CC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702885 418357376 /nfs/dbraw/zinc/35/73/76/418357376.db2.gz IJBPAPKIXQSATJ-MHORFTMASA-N 2 1 304.434 0.926 20 30 DCEDMP CCCNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264091421 276003320 /nfs/dbraw/zinc/00/33/20/276003320.db2.gz KYQFPIOEGUNZPD-UHFFFAOYSA-N 2 1 305.430 0.303 20 30 DCEDMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330222444 336126529 /nfs/dbraw/zinc/12/65/29/336126529.db2.gz MJUJNONSWQLMFU-AWEZNQCLSA-N 2 1 308.426 0.734 20 30 DCEDMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330222444 336126531 /nfs/dbraw/zinc/12/65/31/336126531.db2.gz MJUJNONSWQLMFU-AWEZNQCLSA-N 2 1 308.426 0.734 20 30 DCEDMP C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000330226341 336126675 /nfs/dbraw/zinc/12/66/75/336126675.db2.gz OSKCONXXPCEDCR-HZPDHXFCSA-N 2 1 324.469 0.916 20 30 DCEDMP C[NH+]1CCN(C(=O)CCNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000330227289 336127131 /nfs/dbraw/zinc/12/71/31/336127131.db2.gz PDRMIILPFLQZQM-UHFFFAOYSA-N 2 1 322.453 0.981 20 30 DCEDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CN(C)CCC#N)CCCO1 ZINC000583079771 337236840 /nfs/dbraw/zinc/23/68/40/337236840.db2.gz KYFRUQHMTGBKAE-HOTGVXAUSA-N 2 1 312.458 0.283 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001569950669 1161343048 /nfs/dbraw/zinc/34/30/48/1161343048.db2.gz QKCQWFXJSIOESR-JKSUJKDBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC000979088085 660659544 /nfs/dbraw/zinc/65/95/44/660659544.db2.gz LPBZXAWEWLUDNQ-QSPRXWTASA-N 2 1 319.449 0.006 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036923 661093675 /nfs/dbraw/zinc/09/36/75/661093675.db2.gz IZDUOYBOTXNJBN-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036923 661093676 /nfs/dbraw/zinc/09/36/76/661093676.db2.gz IZDUOYBOTXNJBN-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036923 661093678 /nfs/dbraw/zinc/09/36/78/661093678.db2.gz IZDUOYBOTXNJBN-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676654 657551065 /nfs/dbraw/zinc/55/10/65/657551065.db2.gz GDDUZPQMLXLFSY-LSDHHAIUSA-N 2 1 305.426 0.532 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676654 657551072 /nfs/dbraw/zinc/55/10/72/657551072.db2.gz GDDUZPQMLXLFSY-LSDHHAIUSA-N 2 1 305.426 0.532 20 30 DCEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971677400 657551836 /nfs/dbraw/zinc/55/18/36/657551836.db2.gz KFQGSIVYTNNWRD-HZPDHXFCSA-N 2 1 319.453 0.922 20 30 DCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971677400 657551840 /nfs/dbraw/zinc/55/18/40/657551840.db2.gz KFQGSIVYTNNWRD-HZPDHXFCSA-N 2 1 319.453 0.922 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452384 657882383 /nfs/dbraw/zinc/88/23/83/657882383.db2.gz YUMAICXWDWCQLN-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452384 657882388 /nfs/dbraw/zinc/88/23/88/657882388.db2.gz YUMAICXWDWCQLN-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023452384 657882394 /nfs/dbraw/zinc/88/23/94/657882394.db2.gz YUMAICXWDWCQLN-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023452384 657882399 /nfs/dbraw/zinc/88/23/99/657882399.db2.gz YUMAICXWDWCQLN-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C[C@H](C)O)C2)CC1 ZINC001023762126 658218257 /nfs/dbraw/zinc/21/82/57/658218257.db2.gz ROLVVMWGXJWVRY-JKSUJKDBSA-N 2 1 321.465 0.541 20 30 DCEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000972295196 658533287 /nfs/dbraw/zinc/53/32/87/658533287.db2.gz ROLJHNMRZNUSQC-RDJZCZTQSA-N 2 1 305.422 0.407 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675615 665607377 /nfs/dbraw/zinc/60/73/77/665607377.db2.gz DVGKNPJOIQCSCC-GJZGRUSLSA-N 2 1 303.410 0.529 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675615 665607378 /nfs/dbraw/zinc/60/73/78/665607378.db2.gz DVGKNPJOIQCSCC-GJZGRUSLSA-N 2 1 303.410 0.529 20 30 DCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856579 665656936 /nfs/dbraw/zinc/65/69/36/665656936.db2.gz CSRMCJPTWSYNLQ-BFHRDPOASA-N 2 1 319.449 0.864 20 30 DCEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027441834 659482682 /nfs/dbraw/zinc/48/26/82/659482682.db2.gz XBCXJEMQJLBBIK-JKSUJKDBSA-N 2 1 319.453 0.922 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027441834 659482683 /nfs/dbraw/zinc/48/26/83/659482683.db2.gz XBCXJEMQJLBBIK-JKSUJKDBSA-N 2 1 319.453 0.922 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781819 659556430 /nfs/dbraw/zinc/55/64/30/659556430.db2.gz RRMRSXJJSSJIAC-MTSZKFMLSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781819 659556431 /nfs/dbraw/zinc/55/64/31/659556431.db2.gz RRMRSXJJSSJIAC-MTSZKFMLSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781819 659556433 /nfs/dbraw/zinc/55/64/33/659556433.db2.gz RRMRSXJJSSJIAC-MTSZKFMLSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](F)CC)C[C@H]21 ZINC001025814101 659576749 /nfs/dbraw/zinc/57/67/49/659576749.db2.gz STHHYMXJASAZIO-ARKGTOAJSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](F)CC)C[C@H]21 ZINC001025814101 659576753 /nfs/dbraw/zinc/57/67/53/659576753.db2.gz STHHYMXJASAZIO-ARKGTOAJSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](F)CC)C[C@H]21 ZINC001025814101 659576758 /nfs/dbraw/zinc/57/67/58/659576758.db2.gz STHHYMXJASAZIO-ARKGTOAJSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](F)CC)C[C@H]21 ZINC001025814101 659576761 /nfs/dbraw/zinc/57/67/61/659576761.db2.gz STHHYMXJASAZIO-ARKGTOAJSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1 ZINC000975037683 659770215 /nfs/dbraw/zinc/77/02/15/659770215.db2.gz BOXRMEXWYJEJBL-UMVBOHGHSA-N 2 1 300.406 0.983 20 30 DCEDMP C#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1 ZINC000975037683 659770220 /nfs/dbraw/zinc/77/02/20/659770220.db2.gz BOXRMEXWYJEJBL-UMVBOHGHSA-N 2 1 300.406 0.983 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001029004391 661930505 /nfs/dbraw/zinc/93/05/05/661930505.db2.gz WAUHRHZBKBCMJS-MRXNPFEDSA-N 2 1 301.434 0.793 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000940811782 665856712 /nfs/dbraw/zinc/85/67/12/665856712.db2.gz TYYNFBURVDPUIQ-LSDHHAIUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000940806776 665851312 /nfs/dbraw/zinc/85/13/12/665851312.db2.gz AESWRMGUIAUEAW-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOC)CC1(C)C ZINC000940806776 665851314 /nfs/dbraw/zinc/85/13/14/665851314.db2.gz AESWRMGUIAUEAW-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC)CC1(C)C ZINC000940806776 665851316 /nfs/dbraw/zinc/85/13/16/665851316.db2.gz AESWRMGUIAUEAW-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC)CC1(C)C ZINC000940806776 665851317 /nfs/dbraw/zinc/85/13/17/665851317.db2.gz AESWRMGUIAUEAW-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900605313 663260064 /nfs/dbraw/zinc/26/00/64/663260064.db2.gz IUELRWVWAQTREF-KRWDZBQOSA-N 2 1 309.454 0.990 20 30 DCEDMP CNC(NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)=[NH+]C ZINC000905032851 663524648 /nfs/dbraw/zinc/52/46/48/663524648.db2.gz ZEWGDWPZLSHOMV-UHFFFAOYSA-N 2 1 313.446 0.770 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906597523 663624944 /nfs/dbraw/zinc/62/49/44/663624944.db2.gz MOMQENKXZWIIJT-UHFFFAOYSA-N 2 1 308.470 0.637 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001076310 665990399 /nfs/dbraw/zinc/99/03/99/665990399.db2.gz NBAPSPCMFROMDB-MRXNPFEDSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076310 665990401 /nfs/dbraw/zinc/99/04/01/665990401.db2.gz NBAPSPCMFROMDB-MRXNPFEDSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076310 665990403 /nfs/dbraw/zinc/99/04/03/665990403.db2.gz NBAPSPCMFROMDB-MRXNPFEDSA-N 2 1 305.422 0.477 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001672024138 1157435880 /nfs/dbraw/zinc/43/58/80/1157435880.db2.gz GEZHLRXHMINEPW-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001672024138 1157435882 /nfs/dbraw/zinc/43/58/82/1157435882.db2.gz GEZHLRXHMINEPW-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001672024138 1157435884 /nfs/dbraw/zinc/43/58/84/1157435884.db2.gz GEZHLRXHMINEPW-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(CC)CCO3)CCC[C@@H]12 ZINC000992490137 664727221 /nfs/dbraw/zinc/72/72/21/664727221.db2.gz CMUQMNSQCUEMIA-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992490137 664727223 /nfs/dbraw/zinc/72/72/23/664727223.db2.gz CMUQMNSQCUEMIA-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992490137 664727224 /nfs/dbraw/zinc/72/72/24/664727224.db2.gz CMUQMNSQCUEMIA-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992490137 664727225 /nfs/dbraw/zinc/72/72/25/664727225.db2.gz CMUQMNSQCUEMIA-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992490137 664727226 /nfs/dbraw/zinc/72/72/26/664727226.db2.gz CMUQMNSQCUEMIA-JFIYKMOQSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000923598045 665067950 /nfs/dbraw/zinc/06/79/50/665067950.db2.gz RTSVGOXZUVPHBW-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000923598045 665067952 /nfs/dbraw/zinc/06/79/52/665067952.db2.gz RTSVGOXZUVPHBW-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997872231 665356178 /nfs/dbraw/zinc/35/61/78/665356178.db2.gz XEIHVYSMOWPWEX-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997872231 665356179 /nfs/dbraw/zinc/35/61/79/665356179.db2.gz XEIHVYSMOWPWEX-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941551675 666018981 /nfs/dbraw/zinc/01/89/81/666018981.db2.gz CSJQMBMJXHOJCY-MRXNPFEDSA-N 2 1 308.470 0.587 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941566535 666023963 /nfs/dbraw/zinc/02/39/63/666023963.db2.gz GOFPTDVIKOOCBT-GDBMZVCRSA-N 2 1 306.454 0.199 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941566535 666023966 /nfs/dbraw/zinc/02/39/66/666023966.db2.gz GOFPTDVIKOOCBT-GDBMZVCRSA-N 2 1 306.454 0.199 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922343823 666424166 /nfs/dbraw/zinc/42/41/66/666424166.db2.gz DWLDGRDZPNNGOS-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004378465 666527188 /nfs/dbraw/zinc/52/71/88/666527188.db2.gz GDLGSQSYGTXKKD-IAGOWNOFSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004378465 666527189 /nfs/dbraw/zinc/52/71/89/666527189.db2.gz GDLGSQSYGTXKKD-IAGOWNOFSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004378465 666527191 /nfs/dbraw/zinc/52/71/91/666527191.db2.gz GDLGSQSYGTXKKD-IAGOWNOFSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004378465 666527193 /nfs/dbraw/zinc/52/71/93/666527193.db2.gz GDLGSQSYGTXKKD-IAGOWNOFSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001034281223 666975571 /nfs/dbraw/zinc/97/55/71/666975571.db2.gz HTOXZZJWRCRXCC-ZDUSSCGKSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740707 667165884 /nfs/dbraw/zinc/16/58/84/667165884.db2.gz GIIYBDCIWAJCKA-BFHRDPOASA-N 2 1 317.433 0.406 20 30 DCEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005742247 667179559 /nfs/dbraw/zinc/17/95/59/667179559.db2.gz PNQSUOSNNYRQPM-HQVVEAJESA-N 2 1 319.449 0.958 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035394086 667321609 /nfs/dbraw/zinc/32/16/09/667321609.db2.gz LRUJBIAAGMTPLC-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035394086 667321611 /nfs/dbraw/zinc/32/16/11/667321611.db2.gz LRUJBIAAGMTPLC-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035394086 667321613 /nfs/dbraw/zinc/32/16/13/667321613.db2.gz LRUJBIAAGMTPLC-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035394086 667321615 /nfs/dbraw/zinc/32/16/15/667321615.db2.gz LRUJBIAAGMTPLC-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP CCOCC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884185267 667492767 /nfs/dbraw/zinc/49/27/67/667492767.db2.gz PTFDEQHYLVHWJD-ISXOHVOVSA-N 2 1 320.437 0.306 20 30 DCEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884188216 667493667 /nfs/dbraw/zinc/49/36/67/667493667.db2.gz BSLXHSTXBRTDRS-HCEZTOJASA-N 2 1 304.438 0.974 20 30 DCEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C[NH+]1CCOCC1 ZINC000884205870 667498734 /nfs/dbraw/zinc/49/87/34/667498734.db2.gz HRRNMGNIEUFENH-UJEKJILKSA-N 2 1 320.437 0.210 20 30 DCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884233176 667506440 /nfs/dbraw/zinc/50/64/40/667506440.db2.gz LAGCBWREKXOMKD-NQQDFHQESA-N 2 1 302.422 0.725 20 30 DCEDMP C#CCN1CCC[C@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000884373548 667533446 /nfs/dbraw/zinc/53/34/46/667533446.db2.gz PXNNTOXIFHYGIY-HNNXBMFYSA-N 2 1 308.426 0.106 20 30 DCEDMP CC(C)[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[N@H+]1C ZINC000884471564 667551210 /nfs/dbraw/zinc/55/12/10/667551210.db2.gz AEPYPTCDPAJYLN-GYMHETDLSA-N 2 1 304.438 0.924 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000890373007 668123659 /nfs/dbraw/zinc/12/36/59/668123659.db2.gz OHNAIGKCVHVUMZ-HNNXBMFYSA-N 2 1 310.442 0.304 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000890373007 668123660 /nfs/dbraw/zinc/12/36/60/668123660.db2.gz OHNAIGKCVHVUMZ-HNNXBMFYSA-N 2 1 310.442 0.304 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000876764910 668505938 /nfs/dbraw/zinc/50/59/38/668505938.db2.gz PEAIPHCZCYRZPO-OCCSQVGLSA-N 2 1 314.861 0.741 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000876764910 668505939 /nfs/dbraw/zinc/50/59/39/668505939.db2.gz PEAIPHCZCYRZPO-OCCSQVGLSA-N 2 1 314.861 0.741 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000854092673 670522437 /nfs/dbraw/zinc/52/24/37/670522437.db2.gz PVROLTFUOSLCQM-INIZCTEOSA-N 2 1 324.469 0.694 20 30 DCEDMP C[NH+]=C(NCC[C@H]1CCC[N@@H+](C)C1)NCCN1CCOCC1 ZINC000849041247 670754514 /nfs/dbraw/zinc/75/45/14/670754514.db2.gz OKBBFNKJOKCYNB-OAHLLOKOSA-N 2 1 311.474 0.216 20 30 DCEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C ZINC000852887662 671186239 /nfs/dbraw/zinc/18/62/39/671186239.db2.gz CQFFAMGLIZUTSR-CQSZACIVSA-N 2 1 321.421 0.085 20 30 DCEDMP COC(=O)CC[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C ZINC000852887662 671186241 /nfs/dbraw/zinc/18/62/41/671186241.db2.gz CQFFAMGLIZUTSR-CQSZACIVSA-N 2 1 321.421 0.085 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCOC)CC1 ZINC001024811943 693836717 /nfs/dbraw/zinc/83/67/17/693836717.db2.gz GCMJYFAGCLCRDT-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP CCOCCCNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000303886346 685208532 /nfs/dbraw/zinc/20/85/32/685208532.db2.gz NQSHLTFTVRQWHV-OAHLLOKOSA-N 2 1 313.490 0.591 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958201437 687430746 /nfs/dbraw/zinc/43/07/46/687430746.db2.gz ZHMHCESVHJBPQU-DOMZBBRYSA-N 2 1 322.409 0.335 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958201437 687430748 /nfs/dbraw/zinc/43/07/48/687430748.db2.gz ZHMHCESVHJBPQU-DOMZBBRYSA-N 2 1 322.409 0.335 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266753 687495231 /nfs/dbraw/zinc/49/52/31/687495231.db2.gz CFACDCQAONUHKA-GOEBONIOSA-N 2 1 312.373 0.380 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)COC)C[C@H]32)CC1 ZINC000962781426 688979153 /nfs/dbraw/zinc/97/91/53/688979153.db2.gz TWZBPAUXPNTUHU-QMCVQRASSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000963551849 689064872 /nfs/dbraw/zinc/06/48/72/689064872.db2.gz SYCKYMHIAHYSOQ-PRLABOORSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000963551849 689064876 /nfs/dbraw/zinc/06/48/76/689064876.db2.gz SYCKYMHIAHYSOQ-PRLABOORSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000968954639 690434079 /nfs/dbraw/zinc/43/40/79/690434079.db2.gz OWCAVOYGOPSPIQ-CVEARBPZSA-N 2 1 315.421 0.171 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000968954639 690434082 /nfs/dbraw/zinc/43/40/82/690434082.db2.gz OWCAVOYGOPSPIQ-CVEARBPZSA-N 2 1 315.421 0.171 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969068946 690462192 /nfs/dbraw/zinc/46/21/92/690462192.db2.gz AGHDAIMARUQDHD-JHJVBQTASA-N 2 1 301.818 0.649 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969068946 690462195 /nfs/dbraw/zinc/46/21/95/690462195.db2.gz AGHDAIMARUQDHD-JHJVBQTASA-N 2 1 301.818 0.649 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360727 690668823 /nfs/dbraw/zinc/66/88/23/690668823.db2.gz UDKKNDJZPUDZDO-HNNXBMFYSA-N 2 1 317.437 0.662 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360727 690668826 /nfs/dbraw/zinc/66/88/26/690668826.db2.gz UDKKNDJZPUDZDO-HNNXBMFYSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040245800 694521034 /nfs/dbraw/zinc/52/10/34/694521034.db2.gz XUSKNZRDNJPFJW-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040245800 694521035 /nfs/dbraw/zinc/52/10/35/694521035.db2.gz XUSKNZRDNJPFJW-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCO)C2 ZINC001040245800 694521036 /nfs/dbraw/zinc/52/10/36/694521036.db2.gz XUSKNZRDNJPFJW-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCO)C2 ZINC001040245800 694521037 /nfs/dbraw/zinc/52/10/37/694521037.db2.gz XUSKNZRDNJPFJW-WMZOPIPTSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](CC)OC)C2)CC1 ZINC001016337157 692656707 /nfs/dbraw/zinc/65/67/07/692656707.db2.gz POFPYVHBFBVBIB-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016553050 692718165 /nfs/dbraw/zinc/71/81/65/692718165.db2.gz PFIHSFLIFVCSHU-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553050 692718166 /nfs/dbraw/zinc/71/81/66/692718166.db2.gz PFIHSFLIFVCSHU-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016553088 692718808 /nfs/dbraw/zinc/71/88/08/692718808.db2.gz PNZXZUGVFGCMFP-HUUCEWRRSA-N 2 1 305.422 0.311 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553088 692718811 /nfs/dbraw/zinc/71/88/11/692718811.db2.gz PNZXZUGVFGCMFP-HUUCEWRRSA-N 2 1 305.422 0.311 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985901 692821370 /nfs/dbraw/zinc/82/13/70/692821370.db2.gz LXJFPSRFMLHJOO-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985901 692821375 /nfs/dbraw/zinc/82/13/75/692821375.db2.gz LXJFPSRFMLHJOO-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001018985748 693307003 /nfs/dbraw/zinc/30/70/03/693307003.db2.gz CINRUCBQZWTEHE-ULQDDVLXSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001018985748 693307006 /nfs/dbraw/zinc/30/70/06/693307006.db2.gz CINRUCBQZWTEHE-ULQDDVLXSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072913603 694683067 /nfs/dbraw/zinc/68/30/67/694683067.db2.gz CFTGRMNRKAXYDY-OAHLLOKOSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCCO1 ZINC001073639327 694757943 /nfs/dbraw/zinc/75/79/43/694757943.db2.gz FSSUDFVHHVRCPC-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCCO1 ZINC001073639327 694757944 /nfs/dbraw/zinc/75/79/44/694757944.db2.gz FSSUDFVHHVRCPC-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC(C)C)CCCO1 ZINC001073639327 694757945 /nfs/dbraw/zinc/75/79/45/694757945.db2.gz FSSUDFVHHVRCPC-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC(C)C)CCCO1 ZINC001073639327 694757946 /nfs/dbraw/zinc/75/79/46/694757946.db2.gz FSSUDFVHHVRCPC-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001073741086 694775379 /nfs/dbraw/zinc/77/53/79/694775379.db2.gz OKOYRQMDSMGKDI-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001073741086 694775380 /nfs/dbraw/zinc/77/53/80/694775380.db2.gz OKOYRQMDSMGKDI-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001073741086 694775383 /nfs/dbraw/zinc/77/53/83/694775383.db2.gz OKOYRQMDSMGKDI-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001073741086 694775384 /nfs/dbraw/zinc/77/53/84/694775384.db2.gz OKOYRQMDSMGKDI-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001073841555 694790220 /nfs/dbraw/zinc/79/02/20/694790220.db2.gz NIIFKDVCVGVMSV-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001073841555 694790221 /nfs/dbraw/zinc/79/02/21/694790221.db2.gz NIIFKDVCVGVMSV-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001074385647 694883302 /nfs/dbraw/zinc/88/33/02/694883302.db2.gz VNHYEYYVKQJYQS-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001074385647 694883306 /nfs/dbraw/zinc/88/33/06/694883306.db2.gz VNHYEYYVKQJYQS-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174471 695003415 /nfs/dbraw/zinc/00/34/15/695003415.db2.gz MRGMBOQSFXKLBV-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174471 695003416 /nfs/dbraw/zinc/00/34/16/695003416.db2.gz MRGMBOQSFXKLBV-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174471 695003417 /nfs/dbraw/zinc/00/34/17/695003417.db2.gz MRGMBOQSFXKLBV-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174471 695003418 /nfs/dbraw/zinc/00/34/18/695003418.db2.gz MRGMBOQSFXKLBV-BBWFWOEESA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOC)C[C@H]32)CC1 ZINC001076604613 695032336 /nfs/dbraw/zinc/03/23/36/695032336.db2.gz OFJZXCAOZFEAOY-DLBZAZTESA-N 2 1 319.449 0.511 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)[C@H](C)C1 ZINC001570446880 1162519578 /nfs/dbraw/zinc/51/95/78/1162519578.db2.gz ZTIZIKPMMKVNFY-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC#CCOC)[C@H](C)C1 ZINC001570446880 1162519583 /nfs/dbraw/zinc/51/95/83/1162519583.db2.gz ZTIZIKPMMKVNFY-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)[C@H](C)C1 ZINC001570446880 1162519589 /nfs/dbraw/zinc/51/95/89/1162519589.db2.gz ZTIZIKPMMKVNFY-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001570954660 1162653410 /nfs/dbraw/zinc/65/34/10/1162653410.db2.gz HIUZZJRCBXVKRT-PHZGNYQRSA-N 2 1 300.406 0.899 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001570954660 1162653413 /nfs/dbraw/zinc/65/34/13/1162653413.db2.gz HIUZZJRCBXVKRT-PHZGNYQRSA-N 2 1 300.406 0.899 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001676406564 1175444274 /nfs/dbraw/zinc/44/42/74/1175444274.db2.gz CZOIQXHPAPWKQR-PMPSAXMXSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001670469758 1157447280 /nfs/dbraw/zinc/44/72/80/1157447280.db2.gz LPSGLABQPURNJT-SJORKVTESA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001670508148 1157452898 /nfs/dbraw/zinc/45/28/98/1157452898.db2.gz ZYGXCHNTCNCHTH-CABCVRRESA-N 2 1 322.453 0.257 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001691120233 1157588109 /nfs/dbraw/zinc/58/81/09/1157588109.db2.gz MUTCQZHVDHDBPA-IYBDPMFKSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCO)CC1 ZINC001754637168 1157812314 /nfs/dbraw/zinc/81/23/14/1157812314.db2.gz AJKHRSBZIUVTSX-QGZVFWFLSA-N 2 1 321.465 0.778 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481439690 1157972676 /nfs/dbraw/zinc/97/26/76/1157972676.db2.gz VZXIWHOWGCIBGW-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481439690 1157972681 /nfs/dbraw/zinc/97/26/81/1157972681.db2.gz VZXIWHOWGCIBGW-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481439690 1157972685 /nfs/dbraw/zinc/97/26/85/1157972685.db2.gz VZXIWHOWGCIBGW-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001566033475 1159867887 /nfs/dbraw/zinc/86/78/87/1159867887.db2.gz VSISBNRLLTUZMM-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001566033475 1159867901 /nfs/dbraw/zinc/86/79/01/1159867901.db2.gz VSISBNRLLTUZMM-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001566033475 1159867915 /nfs/dbraw/zinc/86/79/15/1159867915.db2.gz VSISBNRLLTUZMM-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001565866277 1159915660 /nfs/dbraw/zinc/91/56/60/1159915660.db2.gz DRHRNTVPRYQIDB-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001566550291 1160053845 /nfs/dbraw/zinc/05/38/45/1160053845.db2.gz GNRMCZNHDXHPHB-QGZVFWFLSA-N 2 1 321.465 0.806 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001566648317 1160110298 /nfs/dbraw/zinc/11/02/98/1160110298.db2.gz GTTOWOXFGWZAGX-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001566648317 1160110301 /nfs/dbraw/zinc/11/03/01/1160110301.db2.gz GTTOWOXFGWZAGX-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001567429987 1160364187 /nfs/dbraw/zinc/36/41/87/1160364187.db2.gz JQVUXPGVVATNFB-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001568415573 1160643313 /nfs/dbraw/zinc/64/33/13/1160643313.db2.gz YJWRJDVJOBAIMT-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001568486911 1160658048 /nfs/dbraw/zinc/65/80/48/1160658048.db2.gz KIGZZWSREZZUCB-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001569755969 1161228619 /nfs/dbraw/zinc/22/86/19/1161228619.db2.gz OCIYCZDIMHSUEI-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001569755969 1161228624 /nfs/dbraw/zinc/22/86/24/1161228624.db2.gz OCIYCZDIMHSUEI-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001569755969 1161228628 /nfs/dbraw/zinc/22/86/28/1161228628.db2.gz OCIYCZDIMHSUEI-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001569814328 1161264060 /nfs/dbraw/zinc/26/40/60/1161264060.db2.gz TXHNAENYDLCKRH-STQMWFEESA-N 2 1 304.394 0.810 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001574673381 1163739764 /nfs/dbraw/zinc/73/97/64/1163739764.db2.gz KSQQNFMGPYRNGI-KGLIPLIRSA-N 2 1 316.409 0.030 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001574673381 1163739767 /nfs/dbraw/zinc/73/97/67/1163739767.db2.gz KSQQNFMGPYRNGI-KGLIPLIRSA-N 2 1 316.409 0.030 20 30 DCEDMP CC#CC[C@@H]([NH3+])C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001574972654 1163827425 /nfs/dbraw/zinc/82/74/25/1163827425.db2.gz NUQFSKLSEIHRLR-IAGOWNOFSA-N 2 1 315.417 0.263 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC1CC([NH+]3CCOCC3)C1)C2 ZINC001580042938 1165482996 /nfs/dbraw/zinc/48/29/96/1165482996.db2.gz DVSHUSLOSGSJKK-MVGVAPMGSA-N 2 1 318.421 0.105 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001649450389 1173137082 /nfs/dbraw/zinc/13/70/82/1173137082.db2.gz NSUANLIHASAFPO-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001660925104 1174069420 /nfs/dbraw/zinc/06/94/20/1174069420.db2.gz FNKZYNCNLMDRNL-UHFFFAOYSA-N 2 1 306.454 0.228 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001664835419 1174464914 /nfs/dbraw/zinc/46/49/14/1174464914.db2.gz GXRLGEATAGZOMW-INIZCTEOSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665642301 1174545129 /nfs/dbraw/zinc/54/51/29/1174545129.db2.gz QOYUFEOQFJWDLS-ZBFHGGJFSA-N 2 1 324.469 0.408 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001665948329 1174576116 /nfs/dbraw/zinc/57/61/16/1174576116.db2.gz QVLPNLAPEVBASY-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001666389081 1174601515 /nfs/dbraw/zinc/60/15/15/1174601515.db2.gz APEXGXLLZXQMKM-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001666389081 1174601519 /nfs/dbraw/zinc/60/15/19/1174601519.db2.gz APEXGXLLZXQMKM-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001670222733 1174993379 /nfs/dbraw/zinc/99/33/79/1174993379.db2.gz ALPSWYLYBWHWHC-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCOC)C2)CC1 ZINC001671694715 1175031015 /nfs/dbraw/zinc/03/10/15/1175031015.db2.gz WKJBWAIMLUJFFZ-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001671999379 1175059109 /nfs/dbraw/zinc/05/91/09/1175059109.db2.gz XBDKXINAFJNXHH-WBVHZDCISA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001671999379 1175059095 /nfs/dbraw/zinc/05/90/95/1175059095.db2.gz XBDKXINAFJNXHH-WBVHZDCISA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001671999379 1175059102 /nfs/dbraw/zinc/05/91/02/1175059102.db2.gz XBDKXINAFJNXHH-WBVHZDCISA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001673352191 1175194279 /nfs/dbraw/zinc/19/42/79/1175194279.db2.gz HGLAGZNKOJMDGJ-INIZCTEOSA-N 2 1 318.465 0.180 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001673924013 1175241884 /nfs/dbraw/zinc/24/18/84/1175241884.db2.gz SXKPJRWCSOJRHK-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001676011585 1175413574 /nfs/dbraw/zinc/41/35/74/1175413574.db2.gz HLADTNXSCMWYJY-AEFFLSMTSA-N 2 1 321.465 0.997 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001676651087 1175473760 /nfs/dbraw/zinc/47/37/60/1175473760.db2.gz SHUVLDYPQZZFIF-ZBFHGGJFSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001677632248 1175588928 /nfs/dbraw/zinc/58/89/28/1175588928.db2.gz JITBDUFKXGYENG-HNNXBMFYSA-N 2 1 307.438 0.889 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001689207979 1176741161 /nfs/dbraw/zinc/74/11/61/1176741161.db2.gz GLBJRHUKJFXSMI-DLBZAZTESA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001689254485 1176770195 /nfs/dbraw/zinc/77/01/95/1176770195.db2.gz YKTVERUDQPHHSI-IYBDPMFKSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001689254485 1176770199 /nfs/dbraw/zinc/77/01/99/1176770199.db2.gz YKTVERUDQPHHSI-IYBDPMFKSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001689254485 1176770206 /nfs/dbraw/zinc/77/02/06/1176770206.db2.gz YKTVERUDQPHHSI-IYBDPMFKSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001690287216 1177207722 /nfs/dbraw/zinc/20/77/22/1177207722.db2.gz SJQRGGKDDRROLP-VGWMRTNUSA-N 2 1 307.438 0.603 20 30 DCEDMP COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001692030243 1177405665 /nfs/dbraw/zinc/40/56/65/1177405665.db2.gz HYBKZHZWPWDKLO-QGZVFWFLSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001692030243 1177405674 /nfs/dbraw/zinc/40/56/74/1177405674.db2.gz HYBKZHZWPWDKLO-QGZVFWFLSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001692030243 1177405681 /nfs/dbraw/zinc/40/56/81/1177405681.db2.gz HYBKZHZWPWDKLO-QGZVFWFLSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001692045810 1177408970 /nfs/dbraw/zinc/40/89/70/1177408970.db2.gz AUYRIDFCKIFCKE-INIZCTEOSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001692045810 1177408975 /nfs/dbraw/zinc/40/89/75/1177408975.db2.gz AUYRIDFCKIFCKE-INIZCTEOSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001692045810 1177408978 /nfs/dbraw/zinc/40/89/78/1177408978.db2.gz AUYRIDFCKIFCKE-INIZCTEOSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001698609481 1177580128 /nfs/dbraw/zinc/58/01/28/1177580128.db2.gz GHHFXOCMXSRKAC-KKUMJFAQSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001699632123 1178227776 /nfs/dbraw/zinc/22/77/76/1178227776.db2.gz IKLHIFXUTQVBKE-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001699632123 1178227779 /nfs/dbraw/zinc/22/77/79/1178227779.db2.gz IKLHIFXUTQVBKE-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001699824818 1178306048 /nfs/dbraw/zinc/30/60/48/1178306048.db2.gz KOBQUOUOJXVNBM-MRXNPFEDSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001699824818 1178306051 /nfs/dbraw/zinc/30/60/51/1178306051.db2.gz KOBQUOUOJXVNBM-MRXNPFEDSA-N 2 1 306.410 0.975 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001699898490 1178347920 /nfs/dbraw/zinc/34/79/20/1178347920.db2.gz OFZOHPHAKSZHMA-INIZCTEOSA-N 2 1 305.422 0.191 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001699908107 1178364021 /nfs/dbraw/zinc/36/40/21/1178364021.db2.gz VBBDRTRZTMTSEL-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001699908107 1178364030 /nfs/dbraw/zinc/36/40/30/1178364030.db2.gz VBBDRTRZTMTSEL-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001699908107 1178364039 /nfs/dbraw/zinc/36/40/39/1178364039.db2.gz VBBDRTRZTMTSEL-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCCC=C)C1 ZINC001699916142 1178374922 /nfs/dbraw/zinc/37/49/22/1178374922.db2.gz NZCJHXXDAJGOOM-HNNXBMFYSA-N 2 1 305.422 0.213 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001700020525 1178434765 /nfs/dbraw/zinc/43/47/65/1178434765.db2.gz YKGKKUMFPJRJSQ-DLBZAZTESA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001700020525 1178434771 /nfs/dbraw/zinc/43/47/71/1178434771.db2.gz YKGKKUMFPJRJSQ-DLBZAZTESA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001700020525 1178434774 /nfs/dbraw/zinc/43/47/74/1178434774.db2.gz YKGKKUMFPJRJSQ-DLBZAZTESA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC001700167671 1178512919 /nfs/dbraw/zinc/51/29/19/1178512919.db2.gz DMCCALBOUDRMFY-SJORKVTESA-N 2 1 315.417 0.740 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001700626031 1178684011 /nfs/dbraw/zinc/68/40/11/1178684011.db2.gz RQUMORUELKJRPY-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713079212 1180671260 /nfs/dbraw/zinc/67/12/60/1180671260.db2.gz ZIJPVCFDXDJWAB-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1 ZINC001713112594 1180686035 /nfs/dbraw/zinc/68/60/35/1180686035.db2.gz JEGOYWBWQVHESU-IRXDYDNUSA-N 2 1 317.433 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1 ZINC001713112594 1180686039 /nfs/dbraw/zinc/68/60/39/1180686039.db2.gz JEGOYWBWQVHESU-IRXDYDNUSA-N 2 1 317.433 0.218 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001713160066 1180702886 /nfs/dbraw/zinc/70/28/86/1180702886.db2.gz USAPJHKVLZEYNH-RBSFLKMASA-N 2 1 322.453 0.400 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714157334 1181266661 /nfs/dbraw/zinc/26/66/61/1181266661.db2.gz RUTSIOLGWBUMOE-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#CCOC ZINC001714399569 1181350482 /nfs/dbraw/zinc/35/04/82/1181350482.db2.gz JAHGLJLNXIOFMY-CVEARBPZSA-N 2 1 305.422 0.076 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#CCOC ZINC001714399569 1181350486 /nfs/dbraw/zinc/35/04/86/1181350486.db2.gz JAHGLJLNXIOFMY-CVEARBPZSA-N 2 1 305.422 0.076 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001714557042 1181415014 /nfs/dbraw/zinc/41/50/14/1181415014.db2.gz DCOLMVIIWBCOEN-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001714557042 1181415019 /nfs/dbraw/zinc/41/50/19/1181415019.db2.gz DCOLMVIIWBCOEN-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715056219 1181675680 /nfs/dbraw/zinc/67/56/80/1181675680.db2.gz JZGIJUCHDMXAIN-MGPQQGTHSA-N 2 1 310.442 0.113 20 30 DCEDMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001715195264 1181712425 /nfs/dbraw/zinc/71/24/25/1181712425.db2.gz UNPQTWJGEGPCDK-KRWDZBQOSA-N 2 1 315.417 0.746 20 30 DCEDMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001715195264 1181712435 /nfs/dbraw/zinc/71/24/35/1181712435.db2.gz UNPQTWJGEGPCDK-KRWDZBQOSA-N 2 1 315.417 0.746 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCn1cccn1 ZINC001715234770 1181726182 /nfs/dbraw/zinc/72/61/82/1181726182.db2.gz CAVPXPRGPZLYME-HOTGVXAUSA-N 2 1 317.437 0.323 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCn1cccn1 ZINC001715234770 1181726186 /nfs/dbraw/zinc/72/61/86/1181726186.db2.gz CAVPXPRGPZLYME-HOTGVXAUSA-N 2 1 317.437 0.323 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001716099992 1182190021 /nfs/dbraw/zinc/19/00/21/1182190021.db2.gz JAYONLGQEFQXBT-DZGCQCFKSA-N 2 1 306.410 0.397 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC[C@@H](C)O)CC1 ZINC001716670480 1182488545 /nfs/dbraw/zinc/48/85/45/1182488545.db2.gz FRGPGZZSUCMWGU-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001716926112 1182581478 /nfs/dbraw/zinc/58/14/78/1182581478.db2.gz LEAHIAUGEVITOI-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001716926112 1182581480 /nfs/dbraw/zinc/58/14/80/1182581480.db2.gz LEAHIAUGEVITOI-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001716926112 1182581483 /nfs/dbraw/zinc/58/14/83/1182581483.db2.gz LEAHIAUGEVITOI-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717015757 1182624323 /nfs/dbraw/zinc/62/43/23/1182624323.db2.gz RFZRRBBEQJAEBW-NVXWUHKLSA-N 2 1 320.481 0.520 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCOCC=C)C1 ZINC001717550839 1182894269 /nfs/dbraw/zinc/89/42/69/1182894269.db2.gz HQCGRNLYMHBKTJ-RDJZCZTQSA-N 2 1 319.449 0.723 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCOCC=C)C1 ZINC001717550839 1182894276 /nfs/dbraw/zinc/89/42/76/1182894276.db2.gz HQCGRNLYMHBKTJ-RDJZCZTQSA-N 2 1 319.449 0.723 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001717714592 1182967480 /nfs/dbraw/zinc/96/74/80/1182967480.db2.gz QBVJXUUFKZXVAF-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001717714592 1182967485 /nfs/dbraw/zinc/96/74/85/1182967485.db2.gz QBVJXUUFKZXVAF-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001717714592 1182967490 /nfs/dbraw/zinc/96/74/90/1182967490.db2.gz QBVJXUUFKZXVAF-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001723680963 1184335407 /nfs/dbraw/zinc/33/54/07/1184335407.db2.gz UCRMYOYAPQZVFR-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001724840807 1184587245 /nfs/dbraw/zinc/58/72/45/1184587245.db2.gz BJUYKKOKFMUFQX-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001724840807 1184587252 /nfs/dbraw/zinc/58/72/52/1184587252.db2.gz BJUYKKOKFMUFQX-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001724840807 1184587259 /nfs/dbraw/zinc/58/72/59/1184587259.db2.gz BJUYKKOKFMUFQX-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725163882 1184702332 /nfs/dbraw/zinc/70/23/32/1184702332.db2.gz XYMRQJUJNYRCTJ-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725163882 1184702336 /nfs/dbraw/zinc/70/23/36/1184702336.db2.gz XYMRQJUJNYRCTJ-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001725805709 1185003045 /nfs/dbraw/zinc/00/30/45/1185003045.db2.gz VIVJEJZPHDOZLP-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001731859698 1185533123 /nfs/dbraw/zinc/53/31/23/1185533123.db2.gz YGUUXLKSRTVUEJ-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001731859698 1185533128 /nfs/dbraw/zinc/53/31/28/1185533128.db2.gz YGUUXLKSRTVUEJ-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731859698 1185533135 /nfs/dbraw/zinc/53/31/35/1185533135.db2.gz YGUUXLKSRTVUEJ-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731859671 1185533748 /nfs/dbraw/zinc/53/37/48/1185533748.db2.gz FKHRXVQXDMVOTM-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001732063693 1185654559 /nfs/dbraw/zinc/65/45/59/1185654559.db2.gz UBVREJBZROCSGT-KRWDZBQOSA-N 2 1 318.465 0.037 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001732063693 1185654562 /nfs/dbraw/zinc/65/45/62/1185654562.db2.gz UBVREJBZROCSGT-KRWDZBQOSA-N 2 1 318.465 0.037 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001733483398 1186291873 /nfs/dbraw/zinc/29/18/73/1186291873.db2.gz RXBJLNWFFXBERT-GDBMZVCRSA-N 2 1 315.433 0.795 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCOC(C)C)C1 ZINC001734117306 1186551076 /nfs/dbraw/zinc/55/10/76/1186551076.db2.gz OAJKUMMLASLZGD-RDJZCZTQSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCOC(C)C)C1 ZINC001734117306 1186551079 /nfs/dbraw/zinc/55/10/79/1186551079.db2.gz OAJKUMMLASLZGD-RDJZCZTQSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001734141362 1186559441 /nfs/dbraw/zinc/55/94/41/1186559441.db2.gz WRWJWIFXECAULU-GOSISDBHSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001734141362 1186559443 /nfs/dbraw/zinc/55/94/43/1186559443.db2.gz WRWJWIFXECAULU-GOSISDBHSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001734201434 1186577086 /nfs/dbraw/zinc/57/70/86/1186577086.db2.gz KHILGGYHCVKJNW-INIZCTEOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001734545085 1186686683 /nfs/dbraw/zinc/68/66/83/1186686683.db2.gz QTXZNXFXZATPBF-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001734545085 1186686684 /nfs/dbraw/zinc/68/66/84/1186686684.db2.gz QTXZNXFXZATPBF-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001734545085 1186686686 /nfs/dbraw/zinc/68/66/86/1186686686.db2.gz QTXZNXFXZATPBF-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CCOC ZINC001734577876 1186694953 /nfs/dbraw/zinc/69/49/53/1186694953.db2.gz DVJGHJSAHVBTDG-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CCOC ZINC001734577876 1186694954 /nfs/dbraw/zinc/69/49/54/1186694954.db2.gz DVJGHJSAHVBTDG-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001752773729 1188438068 /nfs/dbraw/zinc/43/80/68/1188438068.db2.gz VZWAWEUKTFOOMF-QLFBSQMISA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001752782749 1188440320 /nfs/dbraw/zinc/44/03/20/1188440320.db2.gz APWFATURGOCOEY-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001752782749 1188440322 /nfs/dbraw/zinc/44/03/22/1188440322.db2.gz APWFATURGOCOEY-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001752782749 1188440325 /nfs/dbraw/zinc/44/03/25/1188440325.db2.gz APWFATURGOCOEY-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752977085 1188471010 /nfs/dbraw/zinc/47/10/10/1188471010.db2.gz BVOXNXXRKQLKQL-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001753340166 1188567737 /nfs/dbraw/zinc/56/77/37/1188567737.db2.gz ZAMPSWVHIKABLC-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001753349042 1188571057 /nfs/dbraw/zinc/57/10/57/1188571057.db2.gz HQXRKZBQETUWES-IXDOHACOSA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001753349042 1188571058 /nfs/dbraw/zinc/57/10/58/1188571058.db2.gz HQXRKZBQETUWES-IXDOHACOSA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001753349042 1188571060 /nfs/dbraw/zinc/57/10/60/1188571060.db2.gz HQXRKZBQETUWES-IXDOHACOSA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001753623170 1188625872 /nfs/dbraw/zinc/62/58/72/1188625872.db2.gz WMVJBKPOSIZMQM-CYBMUJFWSA-N 2 1 322.409 0.342 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001753729232 1188648594 /nfs/dbraw/zinc/64/85/94/1188648594.db2.gz IVFYFRFXNUJCMR-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001754024930 1188714490 /nfs/dbraw/zinc/71/44/90/1188714490.db2.gz ADZQUEYCAJOLIE-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[NH2+]CCCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001754395891 1188844404 /nfs/dbraw/zinc/84/44/04/1188844404.db2.gz SMXGEOICCHLBRO-UHFFFAOYSA-N 2 1 304.394 0.955 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001754414322 1188849217 /nfs/dbraw/zinc/84/92/17/1188849217.db2.gz ZZKCACFMTDBPLG-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC#CCOC ZINC001754415710 1188850128 /nfs/dbraw/zinc/85/01/28/1188850128.db2.gz AUYRHTZTOWMHFV-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001754666144 1188899578 /nfs/dbraw/zinc/89/95/78/1188899578.db2.gz WYVODESTNZRLHJ-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754666144 1188899581 /nfs/dbraw/zinc/89/95/81/1188899581.db2.gz WYVODESTNZRLHJ-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754666144 1188899586 /nfs/dbraw/zinc/89/95/86/1188899586.db2.gz WYVODESTNZRLHJ-KRWDZBQOSA-N 2 1 320.481 0.568 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001755705081 1189190261 /nfs/dbraw/zinc/19/02/61/1189190261.db2.gz UMEWKFBEKPSTQJ-SOLBZPMBSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001755705081 1189190262 /nfs/dbraw/zinc/19/02/62/1189190262.db2.gz UMEWKFBEKPSTQJ-SOLBZPMBSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001755705081 1189190264 /nfs/dbraw/zinc/19/02/64/1189190264.db2.gz UMEWKFBEKPSTQJ-SOLBZPMBSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001755779401 1189209508 /nfs/dbraw/zinc/20/95/08/1189209508.db2.gz JNFJUHSJGUCAGT-HUUCEWRRSA-N 2 1 320.437 0.829 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC=C)C[C@@H]32)CC1 ZINC001083283567 747857363 /nfs/dbraw/zinc/85/73/63/747857363.db2.gz IPAKKQLWTDIQIN-DLBZAZTESA-N 2 1 317.433 0.429 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC=C)C[C@@H]32)CC1 ZINC001083283567 747857371 /nfs/dbraw/zinc/85/73/71/747857371.db2.gz IPAKKQLWTDIQIN-DLBZAZTESA-N 2 1 317.433 0.429 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001105259488 748085142 /nfs/dbraw/zinc/08/51/42/748085142.db2.gz ATQBIVNTVHNQLN-UHFFFAOYSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574622 749679130 /nfs/dbraw/zinc/67/91/30/749679130.db2.gz GDJPMVBFGBTRSB-KGLIPLIRSA-N 2 1 305.426 0.823 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131801 750216819 /nfs/dbraw/zinc/21/68/19/750216819.db2.gz KZSGWHDLIGMWMF-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077131801 750216824 /nfs/dbraw/zinc/21/68/24/750216824.db2.gz KZSGWHDLIGMWMF-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077131801 750216830 /nfs/dbraw/zinc/21/68/30/750216830.db2.gz KZSGWHDLIGMWMF-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219200 750275841 /nfs/dbraw/zinc/27/58/41/750275841.db2.gz LQKHXJBWLJVHRH-HUUCEWRRSA-N 2 1 307.438 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)[C@@H]2C)CC1 ZINC001089060156 750782289 /nfs/dbraw/zinc/78/22/89/750782289.db2.gz WHGATUPGDSCVLC-ZBFHGGJFSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203506735 751143282 /nfs/dbraw/zinc/14/32/82/751143282.db2.gz LERBCEGWSYNCSG-CABCVRRESA-N 2 1 305.422 0.359 20 30 DCEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203507780 751181723 /nfs/dbraw/zinc/18/17/23/751181723.db2.gz VGODNWDJLVJHRA-CVEARBPZSA-N 2 1 319.449 0.749 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577579 751194032 /nfs/dbraw/zinc/19/40/32/751194032.db2.gz NLCZVVCLTGNWAN-OAGGEKHMSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577579 751194034 /nfs/dbraw/zinc/19/40/34/751194034.db2.gz NLCZVVCLTGNWAN-OAGGEKHMSA-N 2 1 309.454 0.966 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350660 751273704 /nfs/dbraw/zinc/27/37/04/751273704.db2.gz IHOJOZVOLFHYGJ-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350660 751273707 /nfs/dbraw/zinc/27/37/07/751273707.db2.gz IHOJOZVOLFHYGJ-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089350660 751273713 /nfs/dbraw/zinc/27/37/13/751273713.db2.gz IHOJOZVOLFHYGJ-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089350660 751273718 /nfs/dbraw/zinc/27/37/18/751273718.db2.gz IHOJOZVOLFHYGJ-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444847 753196944 /nfs/dbraw/zinc/19/69/44/753196944.db2.gz YPGYSEDCTDWRRL-HUUCEWRRSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046566404 753796177 /nfs/dbraw/zinc/79/61/77/753796177.db2.gz AGVMEUDOACAHFT-RDJZCZTQSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046566404 753796180 /nfs/dbraw/zinc/79/61/80/753796180.db2.gz AGVMEUDOACAHFT-RDJZCZTQSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046566404 753796183 /nfs/dbraw/zinc/79/61/83/753796183.db2.gz AGVMEUDOACAHFT-RDJZCZTQSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566404 753796185 /nfs/dbraw/zinc/79/61/85/753796185.db2.gz AGVMEUDOACAHFT-RDJZCZTQSA-N 2 1 307.438 0.700 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047380970 754227685 /nfs/dbraw/zinc/22/76/85/754227685.db2.gz BZBBEXNJYJNGOB-PMPSAXMXSA-N 2 1 307.438 0.408 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001047385990 754234994 /nfs/dbraw/zinc/23/49/94/754234994.db2.gz HUFXZECWBYVQSK-FZKCQIBNSA-N 2 1 309.454 0.796 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047385990 754234998 /nfs/dbraw/zinc/23/49/98/754234998.db2.gz HUFXZECWBYVQSK-FZKCQIBNSA-N 2 1 309.454 0.796 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047385990 754235001 /nfs/dbraw/zinc/23/50/01/754235001.db2.gz HUFXZECWBYVQSK-FZKCQIBNSA-N 2 1 309.454 0.796 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047599021 754425699 /nfs/dbraw/zinc/42/56/99/754425699.db2.gz ZGDXXRSHVIZTMX-GJZGRUSLSA-N 2 1 307.438 0.552 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCCC)C[C@@H]2O)CC1 ZINC001047638085 754452657 /nfs/dbraw/zinc/45/26/57/754452657.db2.gz AVBDRKJTCATXHM-IRXDYDNUSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048511454 754784628 /nfs/dbraw/zinc/78/46/28/754784628.db2.gz DECROPBMGVPTLH-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048511454 754784632 /nfs/dbraw/zinc/78/46/32/754784632.db2.gz DECROPBMGVPTLH-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001048511454 754784633 /nfs/dbraw/zinc/78/46/33/754784633.db2.gz DECROPBMGVPTLH-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001048511454 754784637 /nfs/dbraw/zinc/78/46/37/754784637.db2.gz DECROPBMGVPTLH-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001048533302 754795335 /nfs/dbraw/zinc/79/53/35/754795335.db2.gz ZKBDHJCIZHHPSW-YVSFHVDLSA-N 2 1 319.449 0.436 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001048533302 754795340 /nfs/dbraw/zinc/79/53/40/754795340.db2.gz ZKBDHJCIZHHPSW-YVSFHVDLSA-N 2 1 319.449 0.436 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001048533302 754795346 /nfs/dbraw/zinc/79/53/46/754795346.db2.gz ZKBDHJCIZHHPSW-YVSFHVDLSA-N 2 1 319.449 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001048533302 754795350 /nfs/dbraw/zinc/79/53/50/754795350.db2.gz ZKBDHJCIZHHPSW-YVSFHVDLSA-N 2 1 319.449 0.436 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833951 754967808 /nfs/dbraw/zinc/96/78/08/754967808.db2.gz WBIRQEZWVQUZPH-YVSFHVDLSA-N 2 1 317.433 0.263 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833951 754967810 /nfs/dbraw/zinc/96/78/10/754967810.db2.gz WBIRQEZWVQUZPH-YVSFHVDLSA-N 2 1 317.433 0.263 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833951 754967811 /nfs/dbraw/zinc/96/78/11/754967811.db2.gz WBIRQEZWVQUZPH-YVSFHVDLSA-N 2 1 317.433 0.263 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511267 755243376 /nfs/dbraw/zinc/24/33/76/755243376.db2.gz ZJASDQKJFSFGKF-CWRNSKLLSA-N 2 1 306.454 0.578 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053531903 756080163 /nfs/dbraw/zinc/08/01/63/756080163.db2.gz ZHPRUCVTWGKPND-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053531903 756080170 /nfs/dbraw/zinc/08/01/70/756080170.db2.gz ZHPRUCVTWGKPND-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001054151922 756386818 /nfs/dbraw/zinc/38/68/18/756386818.db2.gz VNKYGEWLNJHDOC-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001054151922 756386823 /nfs/dbraw/zinc/38/68/23/756386823.db2.gz VNKYGEWLNJHDOC-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001054151922 756386826 /nfs/dbraw/zinc/38/68/26/756386826.db2.gz VNKYGEWLNJHDOC-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001054151922 756386831 /nfs/dbraw/zinc/38/68/31/756386831.db2.gz VNKYGEWLNJHDOC-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001082192152 756950680 /nfs/dbraw/zinc/95/06/80/756950680.db2.gz XIFBUMILQFLSJI-HUUCEWRRSA-N 2 1 318.421 0.845 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001082192152 756950688 /nfs/dbraw/zinc/95/06/88/756950688.db2.gz XIFBUMILQFLSJI-HUUCEWRRSA-N 2 1 318.421 0.845 20 30 DCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164538481 757102595 /nfs/dbraw/zinc/10/25/95/757102595.db2.gz IJLUNXHLUZLSIR-ZDUSSCGKSA-N 2 1 303.834 0.944 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083183081 757560853 /nfs/dbraw/zinc/56/08/53/757560853.db2.gz MIRJODBHBYRJRU-JKSUJKDBSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001083938545 757561172 /nfs/dbraw/zinc/56/11/72/757561172.db2.gz FOPCMPXLZPWCPS-ZACQAIPSSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083938545 757561177 /nfs/dbraw/zinc/56/11/77/757561177.db2.gz FOPCMPXLZPWCPS-ZACQAIPSSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938545 757561184 /nfs/dbraw/zinc/56/11/84/757561184.db2.gz FOPCMPXLZPWCPS-ZACQAIPSSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938545 757561191 /nfs/dbraw/zinc/56/11/91/757561191.db2.gz FOPCMPXLZPWCPS-ZACQAIPSSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525243 757795573 /nfs/dbraw/zinc/79/55/73/757795573.db2.gz DDRDDCPUPKUXHR-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995961 759097823 /nfs/dbraw/zinc/09/78/23/759097823.db2.gz HRBIEZHPFDZPTQ-DLBZAZTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052571518 759499122 /nfs/dbraw/zinc/49/91/22/759499122.db2.gz GWJAPHDUADYYRS-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052571518 759499131 /nfs/dbraw/zinc/49/91/31/759499131.db2.gz GWJAPHDUADYYRS-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052571518 759499136 /nfs/dbraw/zinc/49/91/36/759499136.db2.gz GWJAPHDUADYYRS-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001098410501 759760532 /nfs/dbraw/zinc/76/05/32/759760532.db2.gz PYEDRNUCZJUQCN-UHFFFAOYSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001098410501 759760539 /nfs/dbraw/zinc/76/05/39/759760539.db2.gz PYEDRNUCZJUQCN-UHFFFAOYSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001098410501 759760541 /nfs/dbraw/zinc/76/05/41/759760541.db2.gz PYEDRNUCZJUQCN-UHFFFAOYSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086431686 760183233 /nfs/dbraw/zinc/18/32/33/760183233.db2.gz AAYGSDSLKVUAEJ-RJZXRHAOSA-N 2 1 305.422 0.520 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001108343408 760416622 /nfs/dbraw/zinc/41/66/22/760416622.db2.gz QSBIOHZXOFQGNE-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001108343408 760416628 /nfs/dbraw/zinc/41/66/28/760416628.db2.gz QSBIOHZXOFQGNE-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343408 760416634 /nfs/dbraw/zinc/41/66/34/760416634.db2.gz QSBIOHZXOFQGNE-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343408 760416641 /nfs/dbraw/zinc/41/66/41/760416641.db2.gz QSBIOHZXOFQGNE-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124272 760440788 /nfs/dbraw/zinc/44/07/88/760440788.db2.gz FUMHUZSYVNTQMM-JKSUJKDBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108401150 760471560 /nfs/dbraw/zinc/47/15/60/760471560.db2.gz OFLOEWWTPOKJOP-INIZCTEOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108401150 760471564 /nfs/dbraw/zinc/47/15/64/760471564.db2.gz OFLOEWWTPOKJOP-INIZCTEOSA-N 2 1 306.410 0.975 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148277927 767957880 /nfs/dbraw/zinc/95/78/80/767957880.db2.gz NNQQCBZQHWYAOX-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001148277927 767957887 /nfs/dbraw/zinc/95/78/87/767957887.db2.gz NNQQCBZQHWYAOX-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001148277927 767957895 /nfs/dbraw/zinc/95/78/95/767957895.db2.gz NNQQCBZQHWYAOX-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169808056 760866863 /nfs/dbraw/zinc/86/68/63/760866863.db2.gz AXULEXNOZMCOBC-LSDHHAIUSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001071175334 761684263 /nfs/dbraw/zinc/68/42/63/761684263.db2.gz CKTHEBKPUDBGTB-DOTOQJQBSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001098898855 762748358 /nfs/dbraw/zinc/74/83/58/762748358.db2.gz QUYQRUWLLNAAPA-HPFXQQBRSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001098898855 762748363 /nfs/dbraw/zinc/74/83/63/762748363.db2.gz QUYQRUWLLNAAPA-HPFXQQBRSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898855 762748369 /nfs/dbraw/zinc/74/83/69/762748369.db2.gz QUYQRUWLLNAAPA-HPFXQQBRSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898855 762748377 /nfs/dbraw/zinc/74/83/77/762748377.db2.gz QUYQRUWLLNAAPA-HPFXQQBRSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001099276758 762852900 /nfs/dbraw/zinc/85/29/00/762852900.db2.gz WWDBVRBQPJRSIT-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001099276758 762852907 /nfs/dbraw/zinc/85/29/07/762852907.db2.gz WWDBVRBQPJRSIT-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC2(CCOCC2)C1 ZINC001099594734 762908476 /nfs/dbraw/zinc/90/84/76/762908476.db2.gz JUDPVLSTGZUWDC-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC2(CCOCC2)C1 ZINC001099594734 762908478 /nfs/dbraw/zinc/90/84/78/762908478.db2.gz JUDPVLSTGZUWDC-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCCCC ZINC001129790574 763004577 /nfs/dbraw/zinc/00/45/77/763004577.db2.gz BTIAGVVSSMJGIG-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCCCC ZINC001129790574 763004583 /nfs/dbraw/zinc/00/45/83/763004583.db2.gz BTIAGVVSSMJGIG-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856203 763026414 /nfs/dbraw/zinc/02/64/14/763026414.db2.gz OGBJCLWUJQNZFL-UONOGXRCSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130192073 763170217 /nfs/dbraw/zinc/17/02/17/763170217.db2.gz GCUOIFGXMMAOPB-KBPBESRZSA-N 2 1 308.426 0.011 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075929 763285894 /nfs/dbraw/zinc/28/58/94/763285894.db2.gz CKCUCBQOEHGBLG-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001130452284 763320570 /nfs/dbraw/zinc/32/05/70/763320570.db2.gz AGAMBNGHQWHFIK-CQSZACIVSA-N 2 1 317.437 0.789 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130452284 763320579 /nfs/dbraw/zinc/32/05/79/763320579.db2.gz AGAMBNGHQWHFIK-CQSZACIVSA-N 2 1 317.437 0.789 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130452284 763320583 /nfs/dbraw/zinc/32/05/83/763320583.db2.gz AGAMBNGHQWHFIK-CQSZACIVSA-N 2 1 317.437 0.789 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737245 763466669 /nfs/dbraw/zinc/46/66/69/763466669.db2.gz ZMDXYNJWOUHBPD-GOEBONIOSA-N 2 1 319.453 0.830 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782763 768139806 /nfs/dbraw/zinc/13/98/06/768139806.db2.gz DLBNJQHJKDFSQA-KONPQCLYSA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782763 768139807 /nfs/dbraw/zinc/13/98/07/768139807.db2.gz DLBNJQHJKDFSQA-KONPQCLYSA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782763 768139808 /nfs/dbraw/zinc/13/98/08/768139808.db2.gz DLBNJQHJKDFSQA-KONPQCLYSA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782763 768139809 /nfs/dbraw/zinc/13/98/09/768139809.db2.gz DLBNJQHJKDFSQA-KONPQCLYSA-N 2 1 319.449 0.509 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380733 763791403 /nfs/dbraw/zinc/79/14/03/763791403.db2.gz YQDQDWOKZWMMAO-UHFFFAOYSA-N 2 1 321.425 0.322 20 30 DCEDMP C=CCOCC[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131423999 763808658 /nfs/dbraw/zinc/80/86/58/763808658.db2.gz GXTQNFMLKVHSCM-UHFFFAOYSA-N 2 1 306.410 0.670 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131694119 763954756 /nfs/dbraw/zinc/95/47/56/763954756.db2.gz UOKFGHOMHZOQBW-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131694119 763954760 /nfs/dbraw/zinc/95/47/60/763954760.db2.gz UOKFGHOMHZOQBW-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131694119 763954765 /nfs/dbraw/zinc/95/47/65/763954765.db2.gz UOKFGHOMHZOQBW-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131697624 763955996 /nfs/dbraw/zinc/95/59/96/763955996.db2.gz OBVLGQLLBVWLLX-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697624 763956000 /nfs/dbraw/zinc/95/60/00/763956000.db2.gz OBVLGQLLBVWLLX-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697624 763956008 /nfs/dbraw/zinc/95/60/08/763956008.db2.gz OBVLGQLLBVWLLX-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158509044 764133640 /nfs/dbraw/zinc/13/36/40/764133640.db2.gz ZAWUBKYUBYUALY-CABCVRRESA-N 2 1 311.426 0.148 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406185 764442185 /nfs/dbraw/zinc/44/21/85/764442185.db2.gz FKOHOGVUMLTKQX-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132411256 764449366 /nfs/dbraw/zinc/44/93/66/764449366.db2.gz XBEQXTAPBGQPML-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132411256 764449373 /nfs/dbraw/zinc/44/93/73/764449373.db2.gz XBEQXTAPBGQPML-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132411256 764449376 /nfs/dbraw/zinc/44/93/76/764449376.db2.gz XBEQXTAPBGQPML-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132411256 764449381 /nfs/dbraw/zinc/44/93/81/764449381.db2.gz XBEQXTAPBGQPML-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132411259 764450142 /nfs/dbraw/zinc/45/01/42/764450142.db2.gz XBEQXTAPBGQPML-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132411259 764450145 /nfs/dbraw/zinc/45/01/45/764450145.db2.gz XBEQXTAPBGQPML-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132411259 764450150 /nfs/dbraw/zinc/45/01/50/764450150.db2.gz XBEQXTAPBGQPML-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132411259 764450153 /nfs/dbraw/zinc/45/01/53/764450153.db2.gz XBEQXTAPBGQPML-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133165636 764855359 /nfs/dbraw/zinc/85/53/59/764855359.db2.gz KLYDVMLXMFZMST-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276314 768255692 /nfs/dbraw/zinc/25/56/92/768255692.db2.gz KZUPAEUPQMGGTQ-JZXOWHBKSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398239 765049421 /nfs/dbraw/zinc/04/94/21/765049421.db2.gz JEASYWCARYJFPG-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103740606 765116099 /nfs/dbraw/zinc/11/60/99/765116099.db2.gz OFNKOSPWEJBCQT-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740606 765116102 /nfs/dbraw/zinc/11/61/02/765116102.db2.gz OFNKOSPWEJBCQT-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740606 765116106 /nfs/dbraw/zinc/11/61/06/765116106.db2.gz OFNKOSPWEJBCQT-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740606 765116109 /nfs/dbraw/zinc/11/61/09/765116109.db2.gz OFNKOSPWEJBCQT-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1=O ZINC001133896652 765215667 /nfs/dbraw/zinc/21/56/67/765215667.db2.gz MZHNXUFQVDMCTF-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291615 765494752 /nfs/dbraw/zinc/49/47/52/765494752.db2.gz RSKURMYWTNAECH-JZXOWHBKSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291615 765494757 /nfs/dbraw/zinc/49/47/57/765494757.db2.gz RSKURMYWTNAECH-JZXOWHBKSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135030078 765770566 /nfs/dbraw/zinc/77/05/66/765770566.db2.gz XIUGDLLFTGLVJK-STQMWFEESA-N 2 1 321.425 0.367 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305266 765875419 /nfs/dbraw/zinc/87/54/19/765875419.db2.gz OXVBABIEWDMPCE-ZDUSSCGKSA-N 2 1 321.425 0.368 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CCCCCC ZINC001135440304 765938655 /nfs/dbraw/zinc/93/86/55/765938655.db2.gz KSYYSBZQCHALJD-OAHLLOKOSA-N 2 1 324.469 0.342 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC001090830592 766649018 /nfs/dbraw/zinc/64/90/18/766649018.db2.gz NNVRQXMQKJRSCD-DLBZAZTESA-N 2 1 319.449 0.293 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001171225865 767048612 /nfs/dbraw/zinc/04/86/12/767048612.db2.gz AMCBMXYAYZEOLD-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C[N@@H+]1CC[C@](O)(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001120591025 767087879 /nfs/dbraw/zinc/08/78/79/767087879.db2.gz TUJOISPQMKATCD-INIZCTEOSA-N 2 1 302.378 0.543 20 30 DCEDMP C[N@H+]1CC[C@](O)(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001120591025 767087885 /nfs/dbraw/zinc/08/78/85/767087885.db2.gz TUJOISPQMKATCD-INIZCTEOSA-N 2 1 302.378 0.543 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCO)C2 ZINC001121251719 767482129 /nfs/dbraw/zinc/48/21/29/767482129.db2.gz UZZIBOXKEVUPJQ-HVEGKCCWSA-N 2 1 319.449 0.483 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCO)C2 ZINC001121251719 767482135 /nfs/dbraw/zinc/48/21/35/767482135.db2.gz UZZIBOXKEVUPJQ-HVEGKCCWSA-N 2 1 319.449 0.483 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001147359927 767724401 /nfs/dbraw/zinc/72/44/01/767724401.db2.gz XIPUMQKVEHNMBI-HNNXBMFYSA-N 2 1 322.453 0.096 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCOC ZINC001171306836 767756285 /nfs/dbraw/zinc/75/62/85/767756285.db2.gz BYFKZMVZYUIEHI-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCOC ZINC001171306836 767756291 /nfs/dbraw/zinc/75/62/91/767756291.db2.gz BYFKZMVZYUIEHI-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983160 768920430 /nfs/dbraw/zinc/92/04/30/768920430.db2.gz QJCYQQDLRRIGJZ-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983160 768920438 /nfs/dbraw/zinc/92/04/38/768920438.db2.gz QJCYQQDLRRIGJZ-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CC[N@H+](C)CCC)C1=O ZINC001171726250 769360079 /nfs/dbraw/zinc/36/00/79/769360079.db2.gz YWFRXDJXSBWIOD-HNNXBMFYSA-N 2 1 324.469 0.601 20 30 DCEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC[NH+](CCO)CCO ZINC001172289798 769472165 /nfs/dbraw/zinc/47/21/65/769472165.db2.gz HYWNFDGIKBXLOP-OAHLLOKOSA-N 2 1 305.422 0.756 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001156146346 770732758 /nfs/dbraw/zinc/73/27/58/770732758.db2.gz WOLAMARGXSATTR-AWEZNQCLSA-N 2 1 322.434 0.546 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001156146346 770732762 /nfs/dbraw/zinc/73/27/62/770732762.db2.gz WOLAMARGXSATTR-AWEZNQCLSA-N 2 1 322.434 0.546 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)O ZINC001178722902 770832951 /nfs/dbraw/zinc/83/29/51/770832951.db2.gz UATPVBDYMSDCHR-HOTGVXAUSA-N 2 1 309.454 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)O ZINC001178722902 770832954 /nfs/dbraw/zinc/83/29/54/770832954.db2.gz UATPVBDYMSDCHR-HOTGVXAUSA-N 2 1 309.454 0.731 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179179383 770954008 /nfs/dbraw/zinc/95/40/08/770954008.db2.gz VGFKNXISGWHFRU-GZOJWHRLSA-N 2 1 317.433 0.452 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179852177 771023417 /nfs/dbraw/zinc/02/34/17/771023417.db2.gz CCHFJGAFHDXWTP-KKUMJFAQSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001179983352 771043322 /nfs/dbraw/zinc/04/33/22/771043322.db2.gz XOSADTORMJNILF-ILXRZTDVSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)CC[N@H+](C)CC ZINC001179988515 771044485 /nfs/dbraw/zinc/04/44/85/771044485.db2.gz JONBGPIDFLILFB-UHFFFAOYSA-N 2 1 324.469 0.344 20 30 DCEDMP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048441 771316063 /nfs/dbraw/zinc/31/60/63/771316063.db2.gz BBULQLFVUNYYCH-CQSZACIVSA-N 2 1 316.405 0.724 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473105 771497385 /nfs/dbraw/zinc/49/73/85/771497385.db2.gz OIRJWUIWUCHQPS-CABCVRRESA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001159356359 771900574 /nfs/dbraw/zinc/90/05/74/771900574.db2.gz XHSLJIACVUHISQ-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001159726305 771948715 /nfs/dbraw/zinc/94/87/15/771948715.db2.gz UNTDRNUCLLRLEU-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001159726305 771948716 /nfs/dbraw/zinc/94/87/16/771948716.db2.gz UNTDRNUCLLRLEU-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159726305 771948718 /nfs/dbraw/zinc/94/87/18/771948718.db2.gz UNTDRNUCLLRLEU-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159726305 771948720 /nfs/dbraw/zinc/94/87/20/771948720.db2.gz UNTDRNUCLLRLEU-MRXNPFEDSA-N 2 1 305.422 0.479 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159924533 771978383 /nfs/dbraw/zinc/97/83/83/771978383.db2.gz LEWSUEPTLVXZEF-CQSZACIVSA-N 2 1 304.394 0.506 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001185992734 771979360 /nfs/dbraw/zinc/97/93/60/771979360.db2.gz BGBMCWNSRCBXCG-OAHLLOKOSA-N 2 1 318.421 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(CC)CC ZINC001160198308 772008335 /nfs/dbraw/zinc/00/83/35/772008335.db2.gz ZPHVWILEGLPOTP-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(CC)CC ZINC001160198308 772008342 /nfs/dbraw/zinc/00/83/42/772008342.db2.gz ZPHVWILEGLPOTP-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001188158343 772277652 /nfs/dbraw/zinc/27/76/52/772277652.db2.gz LLXFVOAFKVHOMW-CABCVRRESA-N 2 1 322.453 0.304 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979782 772404608 /nfs/dbraw/zinc/40/46/08/772404608.db2.gz SUVVFUCHVCHGPY-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644139 772656860 /nfs/dbraw/zinc/65/68/60/772656860.db2.gz FQDRIGQMBQOKFK-CVEARBPZSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644139 772656862 /nfs/dbraw/zinc/65/68/62/772656862.db2.gz FQDRIGQMBQOKFK-CVEARBPZSA-N 2 1 317.437 0.369 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166627383 772831636 /nfs/dbraw/zinc/83/16/36/772831636.db2.gz UOBSRQRHXGFVBS-UONOGXRCSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166758930 772856286 /nfs/dbraw/zinc/85/62/86/772856286.db2.gz NFQZPUOKWZAWCC-UHFFFAOYSA-N 2 1 310.442 0.116 20 30 DCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487778 773069812 /nfs/dbraw/zinc/06/98/12/773069812.db2.gz FJJMVQFLSGYPJE-HNNXBMFYSA-N 2 1 313.442 0.300 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207703057 773276940 /nfs/dbraw/zinc/27/69/40/773276940.db2.gz JAFBOUHCIJTPQO-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207703057 773276944 /nfs/dbraw/zinc/27/69/44/773276944.db2.gz JAFBOUHCIJTPQO-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001208494144 773478936 /nfs/dbraw/zinc/47/89/36/773478936.db2.gz HSJFLLQJEKIYMU-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001208590456 773503855 /nfs/dbraw/zinc/50/38/55/773503855.db2.gz GIVIWPZWROHDIV-ARFHVFGLSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208590456 773503859 /nfs/dbraw/zinc/50/38/59/773503859.db2.gz GIVIWPZWROHDIV-ARFHVFGLSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208590456 773503863 /nfs/dbraw/zinc/50/38/63/773503863.db2.gz GIVIWPZWROHDIV-ARFHVFGLSA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209633356 773627286 /nfs/dbraw/zinc/62/72/86/773627286.db2.gz SWZHTSXFUQPLLN-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209641306 773628197 /nfs/dbraw/zinc/62/81/97/773628197.db2.gz IJJSNXNYKGYSFR-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948779 773827871 /nfs/dbraw/zinc/82/78/71/773827871.db2.gz LOTFAXLRXMNDFY-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097777 773853270 /nfs/dbraw/zinc/85/32/70/773853270.db2.gz HGSQXQMJXHEIIK-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097777 773853277 /nfs/dbraw/zinc/85/32/77/773853277.db2.gz HGSQXQMJXHEIIK-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097777 773853281 /nfs/dbraw/zinc/85/32/81/773853281.db2.gz HGSQXQMJXHEIIK-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198097777 773853285 /nfs/dbraw/zinc/85/32/85/773853285.db2.gz HGSQXQMJXHEIIK-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097777 773853292 /nfs/dbraw/zinc/85/32/92/773853292.db2.gz HGSQXQMJXHEIIK-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198743364 773969748 /nfs/dbraw/zinc/96/97/48/773969748.db2.gz AEFINNIMIGWHQM-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198743364 773969758 /nfs/dbraw/zinc/96/97/58/773969758.db2.gz AEFINNIMIGWHQM-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001199095796 774028838 /nfs/dbraw/zinc/02/88/38/774028838.db2.gz KWPDYHGIUMSUSN-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001199095796 774028840 /nfs/dbraw/zinc/02/88/40/774028840.db2.gz KWPDYHGIUMSUSN-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001199095796 774028844 /nfs/dbraw/zinc/02/88/44/774028844.db2.gz KWPDYHGIUMSUSN-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215544219 774081707 /nfs/dbraw/zinc/08/17/07/774081707.db2.gz LAYKPQPXNISXPO-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536088 774081889 /nfs/dbraw/zinc/08/18/89/774081889.db2.gz HRBZYIYEJOQPOL-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001217555350 774185137 /nfs/dbraw/zinc/18/51/37/774185137.db2.gz TYTLBSICLZCTIR-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001217555350 774185139 /nfs/dbraw/zinc/18/51/39/774185139.db2.gz TYTLBSICLZCTIR-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001217555350 774185142 /nfs/dbraw/zinc/18/51/42/774185142.db2.gz TYTLBSICLZCTIR-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199942924 774226661 /nfs/dbraw/zinc/22/66/61/774226661.db2.gz BJLNCPMVPSSCIR-HNNXBMFYSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942924 774226664 /nfs/dbraw/zinc/22/66/64/774226664.db2.gz BJLNCPMVPSSCIR-HNNXBMFYSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965215 774336197 /nfs/dbraw/zinc/33/61/97/774336197.db2.gz HMZRAOUGKHCWDS-LSDHHAIUSA-N 2 1 311.426 0.052 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965215 774336202 /nfs/dbraw/zinc/33/62/02/774336202.db2.gz HMZRAOUGKHCWDS-LSDHHAIUSA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001201038384 774443577 /nfs/dbraw/zinc/44/35/77/774443577.db2.gz YNCVGBIYFAOSAS-INIZCTEOSA-N 2 1 319.453 0.970 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246298 774470976 /nfs/dbraw/zinc/47/09/76/774470976.db2.gz RCRPGYOPZOXDCW-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001201321541 774487248 /nfs/dbraw/zinc/48/72/48/774487248.db2.gz OWRIORUKZHVIFZ-UHFFFAOYSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074010 774688622 /nfs/dbraw/zinc/68/86/22/774688622.db2.gz SRAXJLBVMDURRD-CVEARBPZSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074010 774688627 /nfs/dbraw/zinc/68/86/27/774688627.db2.gz SRAXJLBVMDURRD-CVEARBPZSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074010 774688630 /nfs/dbraw/zinc/68/86/30/774688630.db2.gz SRAXJLBVMDURRD-CVEARBPZSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074010 774688633 /nfs/dbraw/zinc/68/86/33/774688633.db2.gz SRAXJLBVMDURRD-CVEARBPZSA-N 2 1 307.438 0.436 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387749 775486822 /nfs/dbraw/zinc/48/68/22/775486822.db2.gz MODOFOLJYKSCPJ-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230034382 776245034 /nfs/dbraw/zinc/24/50/34/776245034.db2.gz KEVMHMNJYRZLPD-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230034382 776245045 /nfs/dbraw/zinc/24/50/45/776245045.db2.gz KEVMHMNJYRZLPD-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167969 777106186 /nfs/dbraw/zinc/10/61/86/777106186.db2.gz SJBUIXJGSVJVGR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167969 777106188 /nfs/dbraw/zinc/10/61/88/777106188.db2.gz SJBUIXJGSVJVGR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167969 777106190 /nfs/dbraw/zinc/10/61/90/777106190.db2.gz SJBUIXJGSVJVGR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167969 777106191 /nfs/dbraw/zinc/10/61/91/777106191.db2.gz SJBUIXJGSVJVGR-WBVHZDCISA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837249 777532783 /nfs/dbraw/zinc/53/27/83/777532783.db2.gz CNTWEZQDSWWDLP-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837249 777532786 /nfs/dbraw/zinc/53/27/86/777532786.db2.gz CNTWEZQDSWWDLP-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837249 777532790 /nfs/dbraw/zinc/53/27/90/777532790.db2.gz CNTWEZQDSWWDLP-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837249 777532794 /nfs/dbraw/zinc/53/27/94/777532794.db2.gz CNTWEZQDSWWDLP-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317780268 945186590 /nfs/dbraw/zinc/18/65/90/945186590.db2.gz UGJUVTVXENFALX-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317780268 945186595 /nfs/dbraw/zinc/18/65/95/945186595.db2.gz UGJUVTVXENFALX-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317780268 945186606 /nfs/dbraw/zinc/18/66/06/945186606.db2.gz UGJUVTVXENFALX-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN1C[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001273039825 945212469 /nfs/dbraw/zinc/21/24/69/945212469.db2.gz WLSJNMHBIPNQDN-GOSISDBHSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267303609 939420440 /nfs/dbraw/zinc/42/04/40/939420440.db2.gz PQPKOGUTIIMQEW-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267303609 939420441 /nfs/dbraw/zinc/42/04/41/939420441.db2.gz PQPKOGUTIIMQEW-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267303609 939420443 /nfs/dbraw/zinc/42/04/43/939420443.db2.gz PQPKOGUTIIMQEW-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267453453 939459330 /nfs/dbraw/zinc/45/93/30/939459330.db2.gz CMRWQUJMVXIKRO-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001267557796 939499994 /nfs/dbraw/zinc/49/99/94/939499994.db2.gz MSOVOFWGLIGDPG-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCCO)C1 ZINC001267557796 939499995 /nfs/dbraw/zinc/49/99/95/939499995.db2.gz MSOVOFWGLIGDPG-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCO)C1 ZINC001267557796 939499996 /nfs/dbraw/zinc/49/99/96/939499996.db2.gz MSOVOFWGLIGDPG-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCO)C1 ZINC001267557796 939499997 /nfs/dbraw/zinc/49/99/97/939499997.db2.gz MSOVOFWGLIGDPG-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267571944 939515029 /nfs/dbraw/zinc/51/50/29/939515029.db2.gz VAHWYKNFVAMEKM-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267571944 939515031 /nfs/dbraw/zinc/51/50/31/939515031.db2.gz VAHWYKNFVAMEKM-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267571944 939515033 /nfs/dbraw/zinc/51/50/33/939515033.db2.gz VAHWYKNFVAMEKM-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267571944 939515035 /nfs/dbraw/zinc/51/50/35/939515035.db2.gz VAHWYKNFVAMEKM-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267596467 939538305 /nfs/dbraw/zinc/53/83/05/939538305.db2.gz ZYZDOMFLZRZEBS-MRXNPFEDSA-N 2 1 319.449 0.560 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCOC)C2)CC1 ZINC001267634979 939605742 /nfs/dbraw/zinc/60/57/42/939605742.db2.gz YTBNLEKXHFEYRE-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267791185 939683843 /nfs/dbraw/zinc/68/38/43/939683843.db2.gz VWTNUJCEISZCQN-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267791185 939683844 /nfs/dbraw/zinc/68/38/44/939683844.db2.gz VWTNUJCEISZCQN-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267791185 939683845 /nfs/dbraw/zinc/68/38/45/939683845.db2.gz VWTNUJCEISZCQN-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267791185 939683846 /nfs/dbraw/zinc/68/38/46/939683846.db2.gz VWTNUJCEISZCQN-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267791185 939683847 /nfs/dbraw/zinc/68/38/47/939683847.db2.gz VWTNUJCEISZCQN-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH2+]C[C@]1(NC(=O)CC[NH+]2CCOCC2)CCCC[C@H]1C ZINC001267872392 939698133 /nfs/dbraw/zinc/69/81/33/939698133.db2.gz CHBCPNDZSSMVNA-SJLPKXTDSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001481472631 939886925 /nfs/dbraw/zinc/88/69/25/939886925.db2.gz UNMZWSQLNFHHPY-QGZVFWFLSA-N 2 1 320.481 0.428 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481537453 939926264 /nfs/dbraw/zinc/92/62/64/939926264.db2.gz INBZEFQPKMCOSK-ILXRZTDVSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268580031 940263658 /nfs/dbraw/zinc/26/36/58/940263658.db2.gz VMBZVQUXYSEMTG-CNBITHIKSA-N 2 1 322.453 0.423 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N(CC)CC ZINC001268690622 940332194 /nfs/dbraw/zinc/33/21/94/940332194.db2.gz SGZFZSXETRDRSF-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N(CC)CC ZINC001268690622 940332197 /nfs/dbraw/zinc/33/21/97/940332197.db2.gz SGZFZSXETRDRSF-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001269736470 940766887 /nfs/dbraw/zinc/76/68/87/940766887.db2.gz KKCQBPBAQOTTRB-KRWDZBQOSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001269981432 940810060 /nfs/dbraw/zinc/81/00/60/940810060.db2.gz LSAOOCCKVLLOTL-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001271201598 941320608 /nfs/dbraw/zinc/32/06/08/941320608.db2.gz SYKQWKZNVZGWLX-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001272196125 941793462 /nfs/dbraw/zinc/79/34/62/941793462.db2.gz JDZGIDCQWVHLQO-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593078 942023490 /nfs/dbraw/zinc/02/34/90/942023490.db2.gz CRRMPRLOIKHQIW-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593078 942023495 /nfs/dbraw/zinc/02/34/95/942023495.db2.gz CRRMPRLOIKHQIW-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593078 942023498 /nfs/dbraw/zinc/02/34/98/942023498.db2.gz CRRMPRLOIKHQIW-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593078 942023502 /nfs/dbraw/zinc/02/35/02/942023502.db2.gz CRRMPRLOIKHQIW-OAGGEKHMSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001127066285 942424856 /nfs/dbraw/zinc/42/48/56/942424856.db2.gz LENQKCYVRAHGMF-CABCVRRESA-N 2 1 322.453 0.352 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001484638374 943491192 /nfs/dbraw/zinc/49/11/92/943491192.db2.gz BOYRRJDRAKAIQH-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001484758814 943561351 /nfs/dbraw/zinc/56/13/51/943561351.db2.gz LNKJDLIOMUPGPW-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001484758814 943561359 /nfs/dbraw/zinc/56/13/59/943561359.db2.gz LNKJDLIOMUPGPW-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001484758814 943561363 /nfs/dbraw/zinc/56/13/63/943561363.db2.gz LNKJDLIOMUPGPW-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484950264 943630503 /nfs/dbraw/zinc/63/05/03/943630503.db2.gz VRNQQVXWXPZXMI-ZDUSSCGKSA-N 2 1 315.845 0.776 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001485021109 943660676 /nfs/dbraw/zinc/66/06/76/943660676.db2.gz ZYGMQMLTUUNJHO-CVEARBPZSA-N 2 1 319.449 0.580 20 30 DCEDMP C=C(C)CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485027317 943662272 /nfs/dbraw/zinc/66/22/72/943662272.db2.gz PKTWJTMQCUHXHE-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001485027316 943662295 /nfs/dbraw/zinc/66/22/95/943662295.db2.gz PKTWJTMQCUHXHE-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276600374 944230500 /nfs/dbraw/zinc/23/05/00/944230500.db2.gz BURWEMHOQWXUEU-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276600374 944230509 /nfs/dbraw/zinc/23/05/09/944230509.db2.gz BURWEMHOQWXUEU-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272888106 944300299 /nfs/dbraw/zinc/30/02/99/944300299.db2.gz OKJSCLXWHCWLOZ-GOSISDBHSA-N 2 1 317.433 0.803 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001277060250 944645570 /nfs/dbraw/zinc/64/55/70/944645570.db2.gz LOFKQNJWFZOHQG-HNNXBMFYSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001486353091 944810191 /nfs/dbraw/zinc/81/01/91/944810191.db2.gz UKLSUMPBYXGAAH-MRXNPFEDSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486341685 944821575 /nfs/dbraw/zinc/82/15/75/944821575.db2.gz TWAHIHDERATCPC-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]21 ZINC001317212171 944853630 /nfs/dbraw/zinc/85/36/30/944853630.db2.gz YYDRHBGKOZADNG-ZOFXXKQRSA-N 2 1 319.449 0.291 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@H](C)O)C[C@H]21 ZINC001317212171 944853637 /nfs/dbraw/zinc/85/36/37/944853637.db2.gz YYDRHBGKOZADNG-ZOFXXKQRSA-N 2 1 319.449 0.291 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC[C@H](C)O)C[C@H]21 ZINC001317212171 944853645 /nfs/dbraw/zinc/85/36/45/944853645.db2.gz YYDRHBGKOZADNG-ZOFXXKQRSA-N 2 1 319.449 0.291 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC[C@H](C)O)C[C@H]21 ZINC001317212171 944853651 /nfs/dbraw/zinc/85/36/51/944853651.db2.gz YYDRHBGKOZADNG-ZOFXXKQRSA-N 2 1 319.449 0.291 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001319411206 945578691 /nfs/dbraw/zinc/57/86/91/945578691.db2.gz HWFHFCVCYLBLKP-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320084355 945734986 /nfs/dbraw/zinc/73/49/86/945734986.db2.gz IDURWKXUCDBTII-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320084355 945734992 /nfs/dbraw/zinc/73/49/92/945734992.db2.gz IDURWKXUCDBTII-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1 ZINC001320235644 945780922 /nfs/dbraw/zinc/78/09/22/945780922.db2.gz PQROLQFBNUMARP-SJORKVTESA-N 2 1 315.417 0.351 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1 ZINC001320235644 945780928 /nfs/dbraw/zinc/78/09/28/945780928.db2.gz PQROLQFBNUMARP-SJORKVTESA-N 2 1 315.417 0.351 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252597596 945966584 /nfs/dbraw/zinc/96/65/84/945966584.db2.gz BNGANOSIVJXKKS-HNNXBMFYSA-N 2 1 320.437 0.838 20 30 DCEDMP C=CCC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252597596 945966593 /nfs/dbraw/zinc/96/65/93/945966593.db2.gz BNGANOSIVJXKKS-HNNXBMFYSA-N 2 1 320.437 0.838 20 30 DCEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001278752516 946212924 /nfs/dbraw/zinc/21/29/24/946212924.db2.gz HIZJTOSQFVNZMH-CYBMUJFWSA-N 2 1 310.348 0.980 20 30 DCEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001278820514 946442492 /nfs/dbraw/zinc/44/24/92/946442492.db2.gz BEPYJAYPFGTXOP-DLBZAZTESA-N 2 1 307.438 0.601 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001278820514 946442497 /nfs/dbraw/zinc/44/24/97/946442497.db2.gz BEPYJAYPFGTXOP-DLBZAZTESA-N 2 1 307.438 0.601 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001278820514 946442503 /nfs/dbraw/zinc/44/25/03/946442503.db2.gz BEPYJAYPFGTXOP-DLBZAZTESA-N 2 1 307.438 0.601 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCO1 ZINC001273365700 946864956 /nfs/dbraw/zinc/86/49/56/946864956.db2.gz MDANXHHBZNEGTE-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCO)CC1 ZINC001324397210 947416539 /nfs/dbraw/zinc/41/65/39/947416539.db2.gz NFUPOMHUBKOPOK-UHFFFAOYSA-N 2 1 307.438 0.389 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001324641542 947488592 /nfs/dbraw/zinc/48/85/92/947488592.db2.gz LYESPJWKTOZKMA-BQFCYCMXSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001324641542 947488597 /nfs/dbraw/zinc/48/85/97/947488597.db2.gz LYESPJWKTOZKMA-BQFCYCMXSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001324641542 947488602 /nfs/dbraw/zinc/48/86/02/947488602.db2.gz LYESPJWKTOZKMA-BQFCYCMXSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCOCC1 ZINC001325003295 947606982 /nfs/dbraw/zinc/60/69/82/947606982.db2.gz RPIYSTYRWQEKSN-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1=O ZINC001262379724 947666653 /nfs/dbraw/zinc/66/66/53/947666653.db2.gz JYOCAZYRMVKKKR-YJNKXOJESA-N 2 1 303.406 0.409 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273446529 947727883 /nfs/dbraw/zinc/72/78/83/947727883.db2.gz RXNURGRUOOQVAR-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534264 947854395 /nfs/dbraw/zinc/85/43/95/947854395.db2.gz DNKMGFROLJOICE-KKUMJFAQSA-N 2 1 322.453 0.352 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001326091108 948048965 /nfs/dbraw/zinc/04/89/65/948048965.db2.gz JGMRDUPCUANTIF-HNNXBMFYSA-N 2 1 318.421 0.188 20 30 DCEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001273864648 948639833 /nfs/dbraw/zinc/63/98/33/948639833.db2.gz ZQGXOHICKZKDJJ-RBSFLKMASA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001273864648 948639836 /nfs/dbraw/zinc/63/98/36/948639836.db2.gz ZQGXOHICKZKDJJ-RBSFLKMASA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001264077055 948864365 /nfs/dbraw/zinc/86/43/65/948864365.db2.gz RLIXKKGMRMGTKQ-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP N#CC[C@]1(O)CC[NH+](C/C=C\C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC001328399257 948876268 /nfs/dbraw/zinc/87/62/68/948876268.db2.gz YYNARZKVAJLQFS-GTVVJKOOSA-N 2 1 304.394 0.244 20 30 DCEDMP N#CC[C@]1(O)CC[NH+](C/C=C\C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC001328399257 948876283 /nfs/dbraw/zinc/87/62/83/948876283.db2.gz YYNARZKVAJLQFS-GTVVJKOOSA-N 2 1 304.394 0.244 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001264376979 948944344 /nfs/dbraw/zinc/94/43/44/948944344.db2.gz SBMWVUKJCLQBBQ-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001264376979 948944367 /nfs/dbraw/zinc/94/43/67/948944367.db2.gz SBMWVUKJCLQBBQ-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001328530445 948944991 /nfs/dbraw/zinc/94/49/91/948944991.db2.gz ZDDPYWSILHIPJA-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264635094 949036808 /nfs/dbraw/zinc/03/68/08/949036808.db2.gz WNTRHGRTONAPHS-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001264631831 949038535 /nfs/dbraw/zinc/03/85/35/949038535.db2.gz CBYPWPGXDZOOJD-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001264631831 949038552 /nfs/dbraw/zinc/03/85/52/949038552.db2.gz CBYPWPGXDZOOJD-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001264631831 949038571 /nfs/dbraw/zinc/03/85/71/949038571.db2.gz CBYPWPGXDZOOJD-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001264636451 949048547 /nfs/dbraw/zinc/04/85/47/949048547.db2.gz TXVNAXIGJYKDJG-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001264636451 949048567 /nfs/dbraw/zinc/04/85/67/949048567.db2.gz TXVNAXIGJYKDJG-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001264636451 949048588 /nfs/dbraw/zinc/04/85/88/949048588.db2.gz TXVNAXIGJYKDJG-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001264996642 949156071 /nfs/dbraw/zinc/15/60/71/949156071.db2.gz MWQUIYCTVMIXSO-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001264996642 949156081 /nfs/dbraw/zinc/15/60/81/949156081.db2.gz MWQUIYCTVMIXSO-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@H]1CCOC1 ZINC001264997128 949157706 /nfs/dbraw/zinc/15/77/06/949157706.db2.gz XQZFOUXKLXMSEF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@H]1CCOC1 ZINC001264997128 949157714 /nfs/dbraw/zinc/15/77/14/949157714.db2.gz XQZFOUXKLXMSEF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@H]1CCOC1 ZINC001264997128 949157716 /nfs/dbraw/zinc/15/77/16/949157716.db2.gz XQZFOUXKLXMSEF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC[C@H]1CCOC1 ZINC001264997128 949157723 /nfs/dbraw/zinc/15/77/23/949157723.db2.gz XQZFOUXKLXMSEF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC[C@H]1CCOC1 ZINC001264997128 949157731 /nfs/dbraw/zinc/15/77/31/949157731.db2.gz XQZFOUXKLXMSEF-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265104488 949306893 /nfs/dbraw/zinc/30/68/93/949306893.db2.gz UOSNDIYLABHOOZ-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001265104488 949306917 /nfs/dbraw/zinc/30/69/17/949306917.db2.gz UOSNDIYLABHOOZ-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001265104488 949306939 /nfs/dbraw/zinc/30/69/39/949306939.db2.gz UOSNDIYLABHOOZ-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001265725753 949903410 /nfs/dbraw/zinc/90/34/10/949903410.db2.gz JMMAMZMMVISLPG-MRLBHPIUSA-N 2 1 322.453 0.064 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001279395213 950558106 /nfs/dbraw/zinc/55/81/06/950558106.db2.gz FUAFCIDGDIUWKA-IXDOHACOSA-N 2 1 321.465 0.613 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001490456708 950759500 /nfs/dbraw/zinc/75/95/00/950759500.db2.gz RYMMGTSNMANYMD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001490456708 950759512 /nfs/dbraw/zinc/75/95/12/950759512.db2.gz RYMMGTSNMANYMD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001490456708 950759519 /nfs/dbraw/zinc/75/95/19/950759519.db2.gz RYMMGTSNMANYMD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001490456708 950759530 /nfs/dbraw/zinc/75/95/30/950759530.db2.gz RYMMGTSNMANYMD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001490556712 950875185 /nfs/dbraw/zinc/87/51/85/950875185.db2.gz AWWSOQHXCFLPPR-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001490556712 950875199 /nfs/dbraw/zinc/87/51/99/950875199.db2.gz AWWSOQHXCFLPPR-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001490556712 950875211 /nfs/dbraw/zinc/87/52/11/950875211.db2.gz AWWSOQHXCFLPPR-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001490556712 950875224 /nfs/dbraw/zinc/87/52/24/950875224.db2.gz AWWSOQHXCFLPPR-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+][C@H](CNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001490683767 950989742 /nfs/dbraw/zinc/98/97/42/950989742.db2.gz SBLVYMYTCAWRJL-OAHLLOKOSA-N 2 1 304.394 0.858 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001331439010 951120100 /nfs/dbraw/zinc/12/01/00/951120100.db2.gz LNSLIKJAUBIPEV-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001274075656 951404089 /nfs/dbraw/zinc/40/40/89/951404089.db2.gz FPVTYGSLEFDIMY-YIEVGGLXSA-N 2 1 307.438 0.773 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001365841044 951605201 /nfs/dbraw/zinc/60/52/01/951605201.db2.gz SYFSMAYBOPYPRX-HDJSIYSDSA-N 2 1 315.845 0.946 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001274566533 951703894 /nfs/dbraw/zinc/70/38/94/951703894.db2.gz UWJYSFWEQDXOJJ-UHFFFAOYSA-N 2 1 318.421 0.548 20 30 DCEDMP C=CCN1CC[C@@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274656834 951768825 /nfs/dbraw/zinc/76/88/25/951768825.db2.gz RXIRKXZMHYXSOA-DOTOQJQBSA-N 2 1 309.454 0.800 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001280581564 951806813 /nfs/dbraw/zinc/80/68/13/951806813.db2.gz CLBVGZOIOSORRA-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001332941516 951858037 /nfs/dbraw/zinc/85/80/37/951858037.db2.gz XAGIYCLEVPPBBD-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001275729038 952411149 /nfs/dbraw/zinc/41/11/49/952411149.db2.gz JKPOVHUIZQRCEX-HIFRSBDPSA-N 2 1 322.453 0.032 20 30 DCEDMP C#CCCC[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001275978206 952581055 /nfs/dbraw/zinc/58/10/55/952581055.db2.gz MGBUNZLSJMHXHS-SFHVURJKSA-N 2 1 320.481 0.618 20 30 DCEDMP C=CC[C@]1(C(=O)NCCCCC[NH+]2CCNCC2)CCC[NH2+]1 ZINC001341192746 953215642 /nfs/dbraw/zinc/21/56/42/953215642.db2.gz SWGAWVDBPPPPSV-QGZVFWFLSA-N 2 1 308.470 0.876 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341189873 953215852 /nfs/dbraw/zinc/21/58/52/953215852.db2.gz CTABJUOXMROWAU-CYBMUJFWSA-N 2 1 302.850 0.648 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1cncn1C ZINC001284516085 955148653 /nfs/dbraw/zinc/14/86/53/955148653.db2.gz HVIRNWVJSCYVDV-HNNXBMFYSA-N 2 1 308.426 0.680 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316742995 960229619 /nfs/dbraw/zinc/22/96/19/960229619.db2.gz APFDFUQANVQGKQ-HZPDHXFCSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316742995 960229628 /nfs/dbraw/zinc/22/96/28/960229628.db2.gz APFDFUQANVQGKQ-HZPDHXFCSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316742995 960229640 /nfs/dbraw/zinc/22/96/40/960229640.db2.gz APFDFUQANVQGKQ-HZPDHXFCSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001316747449 960361960 /nfs/dbraw/zinc/36/19/60/960361960.db2.gz IWEJJHAWPFFYME-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001316747449 960361962 /nfs/dbraw/zinc/36/19/62/960361962.db2.gz IWEJJHAWPFFYME-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001316747449 960361965 /nfs/dbraw/zinc/36/19/65/960361965.db2.gz IWEJJHAWPFFYME-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ccnc2C)C1 ZINC001316749796 960364915 /nfs/dbraw/zinc/36/49/15/960364915.db2.gz XAHHSXCTLCIDGR-MRXNPFEDSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001316749796 960364925 /nfs/dbraw/zinc/36/49/25/960364925.db2.gz XAHHSXCTLCIDGR-MRXNPFEDSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001316749796 960364929 /nfs/dbraw/zinc/36/49/29/960364929.db2.gz XAHHSXCTLCIDGR-MRXNPFEDSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001316763600 960369337 /nfs/dbraw/zinc/36/93/37/960369337.db2.gz ROJRYSHZXZKIOV-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001376077247 965165618 /nfs/dbraw/zinc/16/56/18/965165618.db2.gz IWAWMTCITIGCGX-OAHLLOKOSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001376077247 965165626 /nfs/dbraw/zinc/16/56/26/965165626.db2.gz IWAWMTCITIGCGX-OAHLLOKOSA-N 2 1 315.845 0.634 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001374684168 965752848 /nfs/dbraw/zinc/75/28/48/965752848.db2.gz LCKYINNBJXNHMZ-LBPRGKRZSA-N 2 1 324.450 0.527 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001502591621 1015988099 /nfs/dbraw/zinc/98/80/99/1015988099.db2.gz CRYQJARQUWJZMK-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001507320263 1016250483 /nfs/dbraw/zinc/25/04/83/1016250483.db2.gz WGAATJFDECIWJY-OLZOCXBDSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001507503449 1016429151 /nfs/dbraw/zinc/42/91/51/1016429151.db2.gz CBQNNZCPFFXBGV-CZUORRHYSA-N 2 1 313.417 0.241 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001508178223 1016686592 /nfs/dbraw/zinc/68/65/92/1016686592.db2.gz KMYWTJFWXPGSDD-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001479607373 1017600669 /nfs/dbraw/zinc/60/06/69/1017600669.db2.gz QQKVYWFYAWUVPM-GFCCVEGCSA-N 2 1 305.382 0.168 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001479653010 1017630931 /nfs/dbraw/zinc/63/09/31/1017630931.db2.gz ZLMVFGKBQQWFFG-HZPDHXFCSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001479653010 1017630937 /nfs/dbraw/zinc/63/09/37/1017630937.db2.gz ZLMVFGKBQQWFFG-HZPDHXFCSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001479653010 1017630946 /nfs/dbraw/zinc/63/09/46/1017630946.db2.gz ZLMVFGKBQQWFFG-HZPDHXFCSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001506975290 1017726151 /nfs/dbraw/zinc/72/61/51/1017726151.db2.gz KGBREPYWASIYEJ-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001479844257 1017867411 /nfs/dbraw/zinc/86/74/11/1017867411.db2.gz AHTUOFOEAHXODO-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480277741 1018396136 /nfs/dbraw/zinc/39/61/36/1018396136.db2.gz CGHKLXPFCOFWHH-ZIAGYGMSSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480277741 1018396143 /nfs/dbraw/zinc/39/61/43/1018396143.db2.gz CGHKLXPFCOFWHH-ZIAGYGMSSA-N 2 1 315.845 0.898 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001495260504 1018427642 /nfs/dbraw/zinc/42/76/42/1018427642.db2.gz WLFXSKPATDFTAG-GOSISDBHSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001500485063 1018469926 /nfs/dbraw/zinc/46/99/26/1018469926.db2.gz GKCGHHZTBKJFKP-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001500485063 1018469936 /nfs/dbraw/zinc/46/99/36/1018469936.db2.gz GKCGHHZTBKJFKP-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001500485063 1018469947 /nfs/dbraw/zinc/46/99/47/1018469947.db2.gz GKCGHHZTBKJFKP-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001500485063 1018469951 /nfs/dbraw/zinc/46/99/51/1018469951.db2.gz GKCGHHZTBKJFKP-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCOCC1 ZINC001500589969 1018502903 /nfs/dbraw/zinc/50/29/03/1018502903.db2.gz WMEAHGIOKQQNIU-JKSUJKDBSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001480647715 1018740283 /nfs/dbraw/zinc/74/02/83/1018740283.db2.gz FZYYJKSVKYCYPS-IRXDYDNUSA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001480647715 1018740295 /nfs/dbraw/zinc/74/02/95/1018740295.db2.gz FZYYJKSVKYCYPS-IRXDYDNUSA-N 2 1 317.433 0.172 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001501262033 1018994877 /nfs/dbraw/zinc/99/48/77/1018994877.db2.gz SHZQFTYVMWXMIE-MRXNPFEDSA-N 2 1 308.470 0.827 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001493004516 1018997988 /nfs/dbraw/zinc/99/79/88/1018997988.db2.gz OYRUKVFFUYKXFP-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001493004516 1018997999 /nfs/dbraw/zinc/99/79/99/1018997999.db2.gz OYRUKVFFUYKXFP-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493004516 1018998015 /nfs/dbraw/zinc/99/80/15/1018998015.db2.gz OYRUKVFFUYKXFP-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001493004516 1018998028 /nfs/dbraw/zinc/99/80/28/1018998028.db2.gz OYRUKVFFUYKXFP-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001501331559 1019063129 /nfs/dbraw/zinc/06/31/29/1019063129.db2.gz KSUGJRBYXIXISM-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001501331559 1019063146 /nfs/dbraw/zinc/06/31/46/1019063146.db2.gz KSUGJRBYXIXISM-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001501331559 1019063162 /nfs/dbraw/zinc/06/31/62/1019063162.db2.gz KSUGJRBYXIXISM-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001493402495 1019398557 /nfs/dbraw/zinc/39/85/57/1019398557.db2.gz IQUUOBGUTOAGIG-UHFFFAOYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H]1CCCOC1 ZINC001493580850 1019537269 /nfs/dbraw/zinc/53/72/69/1019537269.db2.gz XIWAGQJFRPWUIG-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H]1CCCOC1 ZINC001493580850 1019537274 /nfs/dbraw/zinc/53/72/74/1019537274.db2.gz XIWAGQJFRPWUIG-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001493977511 1019872616 /nfs/dbraw/zinc/87/26/16/1019872616.db2.gz NGWJOWDUELZGIQ-QGZVFWFLSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001494178906 1020050510 /nfs/dbraw/zinc/05/05/10/1020050510.db2.gz AQLZDFSHTDHBKE-JKSUJKDBSA-N 2 1 309.454 0.921 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001494330412 1020134458 /nfs/dbraw/zinc/13/44/58/1020134458.db2.gz RVKXBAHYACPXOT-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001494330412 1020134465 /nfs/dbraw/zinc/13/44/65/1020134465.db2.gz RVKXBAHYACPXOT-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494330412 1020134471 /nfs/dbraw/zinc/13/44/71/1020134471.db2.gz RVKXBAHYACPXOT-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494330412 1020134481 /nfs/dbraw/zinc/13/44/81/1020134481.db2.gz RVKXBAHYACPXOT-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC[C@H]1CCOC1 ZINC001663201366 1174275949 /nfs/dbraw/zinc/27/59/49/1174275949.db2.gz QQDUGDDVODVQJS-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC[C@H]1CCOC1 ZINC001663201366 1174275955 /nfs/dbraw/zinc/27/59/55/1174275955.db2.gz QQDUGDDVODVQJS-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@H]1CCOC1 ZINC001663201366 1174275959 /nfs/dbraw/zinc/27/59/59/1174275959.db2.gz QQDUGDDVODVQJS-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@H]1CCOC1 ZINC001663201366 1174275964 /nfs/dbraw/zinc/27/59/64/1174275964.db2.gz QQDUGDDVODVQJS-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C[C@@H]1C[NH+]=C(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)N1 ZINC000262677225 238178837 /nfs/dbraw/zinc/17/88/37/238178837.db2.gz UJZLOJHZODQWQX-CYBMUJFWSA-N 2 1 315.421 0.512 20 30 DCEDMP [NH2+]=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000264111732 238190428 /nfs/dbraw/zinc/19/04/28/238190428.db2.gz RAAHEBLDNLXBKB-MRXNPFEDSA-N 2 1 318.421 0.053 20 30 DCEDMP C[C@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000267379727 396355733 /nfs/dbraw/zinc/35/57/33/396355733.db2.gz ATPKAQDWFINPSV-KRWDZBQOSA-N 2 1 320.437 0.521 20 30 DCEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000595893685 396677645 /nfs/dbraw/zinc/67/76/45/396677645.db2.gz RTLIMJPVNWNBJP-MRXNPFEDSA-N 2 1 300.406 0.888 20 30 DCEDMP CN(CCC#N)C(=O)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000611302774 396853014 /nfs/dbraw/zinc/85/30/14/396853014.db2.gz ZWUMPOVQVNEQJT-MRXNPFEDSA-N 2 1 321.469 0.460 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000352815866 415335973 /nfs/dbraw/zinc/33/59/73/415335973.db2.gz CGBOZBCBQXOZFA-HNNXBMFYSA-N 2 1 324.469 0.735 20 30 DCEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000075937835 415451509 /nfs/dbraw/zinc/45/15/09/415451509.db2.gz TWSRWVCNKCKSDW-UHFFFAOYSA-N 2 1 322.453 0.793 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000329414249 416168730 /nfs/dbraw/zinc/16/87/30/416168730.db2.gz DXMKDMYGTPAOFL-AWEZNQCLSA-N 2 1 312.458 0.631 20 30 DCEDMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@]1(CO)CCOC1 ZINC000329667865 416183856 /nfs/dbraw/zinc/18/38/56/416183856.db2.gz QRYFWNINNAFBDF-INIZCTEOSA-N 2 1 311.426 0.653 20 30 DCEDMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@]1(CO)CCOC1 ZINC000329667865 416183857 /nfs/dbraw/zinc/18/38/57/416183857.db2.gz QRYFWNINNAFBDF-INIZCTEOSA-N 2 1 311.426 0.653 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261632254 416335635 /nfs/dbraw/zinc/33/56/35/416335635.db2.gz DFDNTPCDSOQREW-ZNMIVQPWSA-N 2 1 322.453 0.257 20 30 DCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+](C)C(C)C)CC1 ZINC000104191696 336246567 /nfs/dbraw/zinc/24/65/67/336246567.db2.gz MFYVLNAWYVJMKC-UHFFFAOYSA-N 2 1 313.446 0.852 20 30 DCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC000303906755 340353132 /nfs/dbraw/zinc/35/31/32/340353132.db2.gz WHHKVXYJGNAYAY-GFCCVEGCSA-N 2 1 311.430 0.463 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000131569559 341097411 /nfs/dbraw/zinc/09/74/11/341097411.db2.gz OCDFRESNFMECMD-QGZVFWFLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001566927462 1160187437 /nfs/dbraw/zinc/18/74/37/1160187437.db2.gz QYFJYGAVSXXAHB-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001566927462 1160187440 /nfs/dbraw/zinc/18/74/40/1160187440.db2.gz QYFJYGAVSXXAHB-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@H](CC)OC ZINC001568485701 1160656036 /nfs/dbraw/zinc/65/60/36/1160656036.db2.gz GWNQLBOSEXYVFB-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H](CC)OC ZINC001568485701 1160656040 /nfs/dbraw/zinc/65/60/40/1160656040.db2.gz GWNQLBOSEXYVFB-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H](CC)OC ZINC001568485701 1160656045 /nfs/dbraw/zinc/65/60/45/1160656045.db2.gz GWNQLBOSEXYVFB-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569765822 1161235260 /nfs/dbraw/zinc/23/52/60/1161235260.db2.gz RSUAAGNAWLADRD-NVXWUHKLSA-N 2 1 307.438 0.293 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362080179 526597526 /nfs/dbraw/zinc/59/75/26/526597526.db2.gz RDAGRVYUHGXGRW-INIZCTEOSA-N 2 1 306.454 0.533 20 30 DCEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000104174470 660459571 /nfs/dbraw/zinc/45/95/71/660459571.db2.gz UIPGPHDQNMERCI-HNNXBMFYSA-N 3 1 311.474 0.345 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC=C)C[C@H]21 ZINC000978278892 660515758 /nfs/dbraw/zinc/51/57/58/660515758.db2.gz FGTVSMGHNPGMQS-NXOAAHMSSA-N 2 1 301.434 0.954 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC=C)C[C@H]21 ZINC000978278892 660515760 /nfs/dbraw/zinc/51/57/60/660515760.db2.gz FGTVSMGHNPGMQS-NXOAAHMSSA-N 2 1 301.434 0.954 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCC=C)C[C@H]21 ZINC000978278892 660515763 /nfs/dbraw/zinc/51/57/63/660515763.db2.gz FGTVSMGHNPGMQS-NXOAAHMSSA-N 2 1 301.434 0.954 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCC=C)C[C@H]21 ZINC000978278892 660515766 /nfs/dbraw/zinc/51/57/66/660515766.db2.gz FGTVSMGHNPGMQS-NXOAAHMSSA-N 2 1 301.434 0.954 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001027686839 660620351 /nfs/dbraw/zinc/62/03/51/660620351.db2.gz XWBFFYDNAWGFNB-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027888120 660887959 /nfs/dbraw/zinc/88/79/59/660887959.db2.gz GLBSMWKJENVUKR-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027888120 660887961 /nfs/dbraw/zinc/88/79/61/660887961.db2.gz GLBSMWKJENVUKR-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933645882 657717295 /nfs/dbraw/zinc/71/72/95/657717295.db2.gz CYVUQBHJWKUXQZ-UHFFFAOYSA-N 2 1 321.421 0.488 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891921314 657917492 /nfs/dbraw/zinc/91/74/92/657917492.db2.gz MTSBYEVVUIAOMP-LBPRGKRZSA-N 2 1 302.369 0.486 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC#CCO ZINC000923779168 658750683 /nfs/dbraw/zinc/75/06/83/658750683.db2.gz MPPCKDYCZDRWDV-OAHLLOKOSA-N 2 1 310.442 0.040 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001025630267 659497328 /nfs/dbraw/zinc/49/73/28/659497328.db2.gz RUFYTIXADGIGQW-DOTOQJQBSA-N 2 1 321.465 0.541 20 30 DCEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960077 665718964 /nfs/dbraw/zinc/71/89/64/665718964.db2.gz BJKWKKYEKOUBLK-LSDHHAIUSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960077 665718965 /nfs/dbraw/zinc/71/89/65/665718965.db2.gz BJKWKKYEKOUBLK-LSDHHAIUSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960077 665718968 /nfs/dbraw/zinc/71/89/68/665718968.db2.gz BJKWKKYEKOUBLK-LSDHHAIUSA-N 2 1 318.425 0.421 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001028643736 661716117 /nfs/dbraw/zinc/71/61/17/661716117.db2.gz RJTNCAZZLPSKNE-LSDHHAIUSA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)CC1 ZINC001000336024 665822050 /nfs/dbraw/zinc/82/20/50/665822050.db2.gz WMABRDOYJWXJCA-INIZCTEOSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)CC1 ZINC001000336024 665822052 /nfs/dbraw/zinc/82/20/52/665822052.db2.gz WMABRDOYJWXJCA-INIZCTEOSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC000896488637 662274296 /nfs/dbraw/zinc/27/42/96/662274296.db2.gz JTUFCQBZAGKGPW-VYDXJSESSA-N 2 1 304.438 0.677 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC000896488637 662274299 /nfs/dbraw/zinc/27/42/99/662274299.db2.gz JTUFCQBZAGKGPW-VYDXJSESSA-N 2 1 304.438 0.677 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC000896488637 662274300 /nfs/dbraw/zinc/27/43/00/662274300.db2.gz JTUFCQBZAGKGPW-VYDXJSESSA-N 2 1 304.438 0.677 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC000896488637 662274302 /nfs/dbraw/zinc/27/43/02/662274302.db2.gz JTUFCQBZAGKGPW-VYDXJSESSA-N 2 1 304.438 0.677 20 30 DCEDMP CSC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC1 ZINC000193299187 662886676 /nfs/dbraw/zinc/88/66/76/662886676.db2.gz IDIUGBRENISDRG-UHFFFAOYSA-N 2 1 300.472 0.899 20 30 DCEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989193115 662889878 /nfs/dbraw/zinc/88/98/78/662889878.db2.gz IQOUIJDLCJDLJJ-ZIAGYGMSSA-N 2 1 300.406 0.974 20 30 DCEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000990572189 663067734 /nfs/dbraw/zinc/06/77/34/663067734.db2.gz ZGBJEBDRWRXXOI-ZDUSSCGKSA-N 2 1 301.818 0.650 20 30 DCEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000990572189 663067735 /nfs/dbraw/zinc/06/77/35/663067735.db2.gz ZGBJEBDRWRXXOI-ZDUSSCGKSA-N 2 1 301.818 0.650 20 30 DCEDMP C=CCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562633 663464208 /nfs/dbraw/zinc/46/42/08/663464208.db2.gz RGIAVLTTZITNSW-GASCZTMLSA-N 2 1 313.467 0.793 20 30 DCEDMP C=CCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562633 663464209 /nfs/dbraw/zinc/46/42/09/663464209.db2.gz RGIAVLTTZITNSW-GASCZTMLSA-N 2 1 313.467 0.793 20 30 DCEDMP C=C(C)CC[NH+]1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001031083919 664788217 /nfs/dbraw/zinc/78/82/17/664788217.db2.gz YMMGHASVARRTDO-UHFFFAOYSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085569 666496675 /nfs/dbraw/zinc/49/66/75/666496675.db2.gz USOASXFIFSVCTN-AWEZNQCLSA-N 2 1 303.410 0.224 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085569 666496676 /nfs/dbraw/zinc/49/66/76/666496676.db2.gz USOASXFIFSVCTN-AWEZNQCLSA-N 2 1 303.410 0.224 20 30 DCEDMP CC[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083096865 666610979 /nfs/dbraw/zinc/61/09/79/666610979.db2.gz RDDICWNJJKFZPK-GFCCVEGCSA-N 2 1 317.441 0.516 20 30 DCEDMP CC[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083096865 666610980 /nfs/dbraw/zinc/61/09/80/666610980.db2.gz RDDICWNJJKFZPK-GFCCVEGCSA-N 2 1 317.441 0.516 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279731 666659411 /nfs/dbraw/zinc/65/94/11/666659411.db2.gz WQXFGNRXODWLTP-KRIMKBQASA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279731 666659414 /nfs/dbraw/zinc/65/94/14/666659414.db2.gz WQXFGNRXODWLTP-KRIMKBQASA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279731 666659415 /nfs/dbraw/zinc/65/94/15/666659415.db2.gz WQXFGNRXODWLTP-KRIMKBQASA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995892221 666716953 /nfs/dbraw/zinc/71/69/53/666716953.db2.gz FFWSYBXGFWCVSS-CABCVRRESA-N 2 1 319.453 0.826 20 30 DCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996068450 666736552 /nfs/dbraw/zinc/73/65/52/666736552.db2.gz GVVGVDIKHSXJCE-DIODGJHASA-N 2 1 319.449 0.862 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069666 666737152 /nfs/dbraw/zinc/73/71/52/666737152.db2.gz KLHMMWUNYRVABR-DIODGJHASA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001033687497 666795915 /nfs/dbraw/zinc/79/59/15/666795915.db2.gz HTEWAYAKQOOAHN-GDBMZVCRSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034535992 667063035 /nfs/dbraw/zinc/06/30/35/667063035.db2.gz WXBQMMQNJYGRIN-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535992 667063039 /nfs/dbraw/zinc/06/30/39/667063039.db2.gz WXBQMMQNJYGRIN-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535992 667063044 /nfs/dbraw/zinc/06/30/44/667063044.db2.gz WXBQMMQNJYGRIN-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535992 667063049 /nfs/dbraw/zinc/06/30/49/667063049.db2.gz WXBQMMQNJYGRIN-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001035613161 667392600 /nfs/dbraw/zinc/39/26/00/667392600.db2.gz DZJUKBLKGNMQAW-INIZCTEOSA-N 2 1 307.438 0.557 20 30 DCEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884192992 667494647 /nfs/dbraw/zinc/49/46/47/667494647.db2.gz SQXNFMRFZWUOOP-UJEKJILKSA-N 2 1 304.438 0.926 20 30 DCEDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884313867 667521974 /nfs/dbraw/zinc/52/19/74/667521974.db2.gz RICYMBXZRCZUNI-DGNOSDGRSA-N 2 1 304.438 0.924 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC000923559505 667562427 /nfs/dbraw/zinc/56/24/27/667562427.db2.gz GVEACUQGRDCRFR-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771041841 668727637 /nfs/dbraw/zinc/72/76/37/668727637.db2.gz UUENMRNAJBOABP-CVEARBPZSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771041841 668727639 /nfs/dbraw/zinc/72/76/39/668727639.db2.gz UUENMRNAJBOABP-CVEARBPZSA-N 2 1 305.422 0.454 20 30 DCEDMP C#C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000775800846 668867924 /nfs/dbraw/zinc/86/79/24/668867924.db2.gz VAYOMGNBKICOPX-CVEARBPZSA-N 2 1 305.422 0.500 20 30 DCEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482477 669210127 /nfs/dbraw/zinc/21/01/27/669210127.db2.gz VCOGADICFOGOHK-CYBMUJFWSA-N 2 1 308.426 0.326 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000950381052 670012266 /nfs/dbraw/zinc/01/22/66/670012266.db2.gz HNKDJLHHLLTESQ-GOEBONIOSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000950381052 670012268 /nfs/dbraw/zinc/01/22/68/670012268.db2.gz HNKDJLHHLLTESQ-GOEBONIOSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841708 670214212 /nfs/dbraw/zinc/21/42/12/670214212.db2.gz CCFQKIVBISJTLB-HOTGVXAUSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841708 670214218 /nfs/dbraw/zinc/21/42/18/670214218.db2.gz CCFQKIVBISJTLB-HOTGVXAUSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254711 670798615 /nfs/dbraw/zinc/79/86/15/670798615.db2.gz YKPCIWAAQNFFPH-CVEARBPZSA-N 2 1 305.422 0.142 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856254711 670798617 /nfs/dbraw/zinc/79/86/17/670798617.db2.gz YKPCIWAAQNFFPH-CVEARBPZSA-N 2 1 305.422 0.142 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000856254711 670798620 /nfs/dbraw/zinc/79/86/20/670798620.db2.gz YKPCIWAAQNFFPH-CVEARBPZSA-N 2 1 305.422 0.142 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000856254711 670798623 /nfs/dbraw/zinc/79/86/23/670798623.db2.gz YKPCIWAAQNFFPH-CVEARBPZSA-N 2 1 305.422 0.142 20 30 DCEDMP C#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000843269473 672077880 /nfs/dbraw/zinc/07/78/80/672077880.db2.gz NOHZTBBTHHCEAK-LSDHHAIUSA-N 2 1 305.422 0.801 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#CCOC)[C@H]1C ZINC001755721004 1158244482 /nfs/dbraw/zinc/24/44/82/1158244482.db2.gz LKVJCRSGUGDCAA-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#CCOC)[C@H]1C ZINC001755721004 1158244484 /nfs/dbraw/zinc/24/44/84/1158244484.db2.gz LKVJCRSGUGDCAA-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC#CCOC)[C@H]1C ZINC001755721004 1158244488 /nfs/dbraw/zinc/24/44/88/1158244488.db2.gz LKVJCRSGUGDCAA-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)[C@H]1C ZINC001755721004 1158244492 /nfs/dbraw/zinc/24/44/92/1158244492.db2.gz LKVJCRSGUGDCAA-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001020250891 693745998 /nfs/dbraw/zinc/74/59/98/693745998.db2.gz VWCVUBVTTOQIPA-QAETUUGQSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001020250891 693746002 /nfs/dbraw/zinc/74/60/02/693746002.db2.gz VWCVUBVTTOQIPA-QAETUUGQSA-N 2 1 319.449 0.747 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000303876870 685207303 /nfs/dbraw/zinc/20/73/03/685207303.db2.gz FBWSKWUXIIBXBE-HOTGVXAUSA-N 3 1 324.517 0.401 20 30 DCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])N1CCCCC1 ZINC000303985770 685209887 /nfs/dbraw/zinc/20/98/87/685209887.db2.gz TZDXIHVPLIWMDM-AWEZNQCLSA-N 2 1 309.458 0.730 20 30 DCEDMP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000304824672 685212054 /nfs/dbraw/zinc/21/20/54/685212054.db2.gz FWSRGSPZAVMTTA-LSDHHAIUSA-N 3 1 313.490 0.732 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000958118003 687359099 /nfs/dbraw/zinc/35/90/99/687359099.db2.gz YAFJZWYHZMURFE-KGLIPLIRSA-N 2 1 321.446 0.465 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038534481 694108382 /nfs/dbraw/zinc/10/83/82/694108382.db2.gz HREHUNFFIBRRNA-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534481 694108384 /nfs/dbraw/zinc/10/83/84/694108384.db2.gz HREHUNFFIBRRNA-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534481 694108386 /nfs/dbraw/zinc/10/83/86/694108386.db2.gz HREHUNFFIBRRNA-GWUWNPHMSA-N 2 1 303.406 0.063 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958224182 687456107 /nfs/dbraw/zinc/45/61/07/687456107.db2.gz TXKKTMNSIHXAKJ-ZBFHGGJFSA-N 2 1 314.389 0.933 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958555763 687742711 /nfs/dbraw/zinc/74/27/11/687742711.db2.gz NNXJHPIRKKJJGG-JKSUJKDBSA-N 2 1 309.454 0.702 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)OC)C[C@H]32)CC1 ZINC000962780416 688978695 /nfs/dbraw/zinc/97/86/95/688978695.db2.gz SKFRAJPLAMXCLJ-QMCVQRASSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOC)C[C@H]32)CC1 ZINC000962783300 688979023 /nfs/dbraw/zinc/97/90/23/688979023.db2.gz VZBNVIDCBYUNSV-ZSHCYNCHSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008279830 690832183 /nfs/dbraw/zinc/83/21/83/690832183.db2.gz JTWGYAYZNRMDHK-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008279830 690832185 /nfs/dbraw/zinc/83/21/85/690832185.db2.gz JTWGYAYZNRMDHK-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279830 690832189 /nfs/dbraw/zinc/83/21/89/690832189.db2.gz JTWGYAYZNRMDHK-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279830 690832191 /nfs/dbraw/zinc/83/21/91/690832191.db2.gz JTWGYAYZNRMDHK-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001009631459 691078162 /nfs/dbraw/zinc/07/81/62/691078162.db2.gz YRIWZFDOEYUMNE-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040135694 694496548 /nfs/dbraw/zinc/49/65/48/694496548.db2.gz ATFWFNZEWPRVLR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040135694 694496553 /nfs/dbraw/zinc/49/65/53/694496553.db2.gz ATFWFNZEWPRVLR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040135694 694496557 /nfs/dbraw/zinc/49/65/57/694496557.db2.gz ATFWFNZEWPRVLR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040135694 694496562 /nfs/dbraw/zinc/49/65/62/694496562.db2.gz ATFWFNZEWPRVLR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826646 692457825 /nfs/dbraw/zinc/45/78/25/692457825.db2.gz HDNUHKSHOKKECK-HNNXBMFYSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073610834 694751745 /nfs/dbraw/zinc/75/17/45/694751745.db2.gz FTKOOTMLXPFCJC-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610834 694751746 /nfs/dbraw/zinc/75/17/46/694751746.db2.gz FTKOOTMLXPFCJC-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610834 694751747 /nfs/dbraw/zinc/75/17/47/694751747.db2.gz FTKOOTMLXPFCJC-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073655023 694760424 /nfs/dbraw/zinc/76/04/24/694760424.db2.gz VHQCVECRALBSDP-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073655023 694760425 /nfs/dbraw/zinc/76/04/25/694760425.db2.gz VHQCVECRALBSDP-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001073898956 694798579 /nfs/dbraw/zinc/79/85/79/694798579.db2.gz HNJHFJAYWYFRKT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073898956 694798581 /nfs/dbraw/zinc/79/85/81/694798581.db2.gz HNJHFJAYWYFRKT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073898956 694798583 /nfs/dbraw/zinc/79/85/83/694798583.db2.gz HNJHFJAYWYFRKT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073898956 694798585 /nfs/dbraw/zinc/79/85/85/694798585.db2.gz HNJHFJAYWYFRKT-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076345229 695015808 /nfs/dbraw/zinc/01/58/08/695015808.db2.gz VGLIXXVMQXFQAF-GOEBONIOSA-N 2 1 317.437 0.777 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001571462987 1162769155 /nfs/dbraw/zinc/76/91/55/1162769155.db2.gz NDXRXPUSMMBQQE-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001571608462 1162858842 /nfs/dbraw/zinc/85/88/42/1162858842.db2.gz HUCZDDXUNWIJFB-QGZVFWFLSA-N 2 1 319.449 0.106 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691123524 1157588287 /nfs/dbraw/zinc/58/82/87/1157588287.db2.gz JYVXNSDYJJCBQX-HRCADAONSA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691230146 1157617153 /nfs/dbraw/zinc/61/71/53/1157617153.db2.gz SSDMCBSJWBRPJQ-JKSUJKDBSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001691375031 1157656338 /nfs/dbraw/zinc/65/63/38/1157656338.db2.gz YNYOBGJCBUTSLC-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC(C)(C)C1 ZINC001750942877 1157726105 /nfs/dbraw/zinc/72/61/05/1157726105.db2.gz CAIDNQDBMHUILE-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC(C)(C)C1 ZINC001750942877 1157726116 /nfs/dbraw/zinc/72/61/16/1157726116.db2.gz CAIDNQDBMHUILE-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001566860392 1160170794 /nfs/dbraw/zinc/17/07/94/1160170794.db2.gz YADJUPOYTRPPDA-ZQDZILKHSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001567202753 1160273025 /nfs/dbraw/zinc/27/30/25/1160273025.db2.gz KCCIGUJFBLKQTJ-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001567738613 1160469351 /nfs/dbraw/zinc/46/93/51/1160469351.db2.gz HBBRGWMHPXFBSP-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCOC)C2)CC1 ZINC001567884565 1160515396 /nfs/dbraw/zinc/51/53/96/1160515396.db2.gz SVNLJGCPCWLVDL-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC)CCCC1 ZINC001568237045 1160611264 /nfs/dbraw/zinc/61/12/64/1160611264.db2.gz MIVGNVLUQOCREX-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC)CCCC1 ZINC001568237045 1160611267 /nfs/dbraw/zinc/61/12/67/1160611267.db2.gz MIVGNVLUQOCREX-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001568453906 1160648949 /nfs/dbraw/zinc/64/89/49/1160648949.db2.gz BAZTZZWZQQGXBD-HUUCEWRRSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@H](CC)OC ZINC001568485701 1160656028 /nfs/dbraw/zinc/65/60/28/1160656028.db2.gz GWNQLBOSEXYVFB-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001568766629 1160765726 /nfs/dbraw/zinc/76/57/26/1160765726.db2.gz DPWONVOYVACYCA-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCOC)CC1 ZINC001569700472 1161198471 /nfs/dbraw/zinc/19/84/71/1161198471.db2.gz BILALJGVEVRXLR-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCOC)CC1 ZINC001569700472 1161198475 /nfs/dbraw/zinc/19/84/75/1161198475.db2.gz BILALJGVEVRXLR-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001570285176 1161542399 /nfs/dbraw/zinc/54/23/99/1161542399.db2.gz AKJQFEQLOZZDGX-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001656784856 1173886130 /nfs/dbraw/zinc/88/61/30/1173886130.db2.gz ZYQJDXJDCOUSDK-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001656784856 1173886134 /nfs/dbraw/zinc/88/61/34/1173886134.db2.gz ZYQJDXJDCOUSDK-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001656784856 1173886142 /nfs/dbraw/zinc/88/61/42/1173886142.db2.gz ZYQJDXJDCOUSDK-HZPDHXFCSA-N 2 1 309.454 0.800 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001661742945 1174153814 /nfs/dbraw/zinc/15/38/14/1174153814.db2.gz HIVPXIRRGTUVSS-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001661742945 1174153818 /nfs/dbraw/zinc/15/38/18/1174153818.db2.gz HIVPXIRRGTUVSS-MRXNPFEDSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663498430 1174310714 /nfs/dbraw/zinc/31/07/14/1174310714.db2.gz SFZYNQSFAUHZMY-IRXDYDNUSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665553820 1174531157 /nfs/dbraw/zinc/53/11/57/1174531157.db2.gz WVXCAIHIBIYJSD-KFWWJZLASA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665553820 1174531163 /nfs/dbraw/zinc/53/11/63/1174531163.db2.gz WVXCAIHIBIYJSD-KFWWJZLASA-N 2 1 324.469 0.454 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001671570234 1175018141 /nfs/dbraw/zinc/01/81/41/1175018141.db2.gz SGLRXHOIWZRIKX-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001671570234 1175018152 /nfs/dbraw/zinc/01/81/52/1175018152.db2.gz SGLRXHOIWZRIKX-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001671859012 1175041259 /nfs/dbraw/zinc/04/12/59/1175041259.db2.gz ZCOYDSVLNXNEBS-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001672499367 1175117931 /nfs/dbraw/zinc/11/79/31/1175117931.db2.gz ILCZFKREPGEPOR-GOSISDBHSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001672499367 1175117934 /nfs/dbraw/zinc/11/79/34/1175117934.db2.gz ILCZFKREPGEPOR-GOSISDBHSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001675348754 1175349569 /nfs/dbraw/zinc/34/95/69/1175349569.db2.gz GZEJEKFERJFBJS-HNNXBMFYSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001676140804 1175425515 /nfs/dbraw/zinc/42/55/15/1175425515.db2.gz XGMDEPFCVLDEQP-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001676140804 1175425517 /nfs/dbraw/zinc/42/55/17/1175425517.db2.gz XGMDEPFCVLDEQP-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001676140804 1175425521 /nfs/dbraw/zinc/42/55/21/1175425521.db2.gz XGMDEPFCVLDEQP-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCOCC)CC1 ZINC001688896650 1176649570 /nfs/dbraw/zinc/64/95/70/1176649570.db2.gz HUIJWVGDRWCCEI-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001691910598 1177380773 /nfs/dbraw/zinc/38/07/73/1177380773.db2.gz KCHXRNFDAIBELQ-GFCCVEGCSA-N 2 1 319.409 0.416 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001698946854 1177732245 /nfs/dbraw/zinc/73/22/45/1177732245.db2.gz NNEGNYXDBPCTLB-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699442010 1178140043 /nfs/dbraw/zinc/14/00/43/1178140043.db2.gz NQWJMEDWCMNBLD-GDBMZVCRSA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001699654662 1178240488 /nfs/dbraw/zinc/24/04/88/1178240488.db2.gz CCBNDESYYIROAB-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001699968163 1178400863 /nfs/dbraw/zinc/40/08/63/1178400863.db2.gz DNPJWNGHVSVSPB-HOCLYGCPSA-N 2 1 318.421 0.525 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001700336436 1178587022 /nfs/dbraw/zinc/58/70/22/1178587022.db2.gz GWASZPIOAPZQMP-OAHLLOKOSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700336341 1178587333 /nfs/dbraw/zinc/58/73/33/1178587333.db2.gz SDJFJQRVMRYCHK-HNNXBMFYSA-N 2 1 307.438 0.436 20 30 DCEDMP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001700443410 1178616678 /nfs/dbraw/zinc/61/66/78/1178616678.db2.gz GAQXALLBYQZLBL-UHFFFAOYSA-N 2 1 320.437 0.916 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001700462272 1178622784 /nfs/dbraw/zinc/62/27/84/1178622784.db2.gz DPODNIQAHMHFOM-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001700462272 1178622785 /nfs/dbraw/zinc/62/27/85/1178622785.db2.gz DPODNIQAHMHFOM-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001700462272 1178622789 /nfs/dbraw/zinc/62/27/89/1178622789.db2.gz DPODNIQAHMHFOM-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001700462272 1178622792 /nfs/dbraw/zinc/62/27/92/1178622792.db2.gz DPODNIQAHMHFOM-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001700626032 1178683930 /nfs/dbraw/zinc/68/39/30/1178683930.db2.gz RQUMORUELKJRPY-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001700824623 1178765846 /nfs/dbraw/zinc/76/58/46/1178765846.db2.gz XCKDLMWNSRJGRB-LSDHHAIUSA-N 2 1 304.394 0.420 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001713037896 1180642200 /nfs/dbraw/zinc/64/22/00/1180642200.db2.gz PAYICHIJGCTUKA-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001713037896 1180642207 /nfs/dbraw/zinc/64/22/07/1180642207.db2.gz PAYICHIJGCTUKA-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001713037896 1180642210 /nfs/dbraw/zinc/64/22/10/1180642210.db2.gz PAYICHIJGCTUKA-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001713049273 1180650698 /nfs/dbraw/zinc/65/06/98/1180650698.db2.gz DIRPEBOVURWJOF-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001713049273 1180650702 /nfs/dbraw/zinc/65/07/02/1180650702.db2.gz DIRPEBOVURWJOF-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CC1 ZINC001713049273 1180650708 /nfs/dbraw/zinc/65/07/08/1180650708.db2.gz DIRPEBOVURWJOF-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CC1 ZINC001713049273 1180650711 /nfs/dbraw/zinc/65/07/11/1180650711.db2.gz DIRPEBOVURWJOF-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001714447991 1181366641 /nfs/dbraw/zinc/36/66/41/1181366641.db2.gz KXZDBPPOMUXBOI-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001714447991 1181366647 /nfs/dbraw/zinc/36/66/47/1181366647.db2.gz KXZDBPPOMUXBOI-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001714599917 1181433365 /nfs/dbraw/zinc/43/33/65/1181433365.db2.gz RVPSVKZERTUZLU-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001714599917 1181433367 /nfs/dbraw/zinc/43/33/67/1181433367.db2.gz RVPSVKZERTUZLU-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001714599917 1181433370 /nfs/dbraw/zinc/43/33/70/1181433370.db2.gz RVPSVKZERTUZLU-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001714599917 1181433373 /nfs/dbraw/zinc/43/33/73/1181433373.db2.gz RVPSVKZERTUZLU-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCCOC)C2)CC1 ZINC001714647063 1181459524 /nfs/dbraw/zinc/45/95/24/1181459524.db2.gz CHUSGUUYWWUAOM-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001715429389 1181810706 /nfs/dbraw/zinc/81/07/06/1181810706.db2.gz OZRUTEACSJMIDN-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001715603744 1181891168 /nfs/dbraw/zinc/89/11/68/1181891168.db2.gz VDGZXCXMPFXDJS-ZFWWWQNUSA-N 2 1 306.410 0.397 20 30 DCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001715970239 1182124768 /nfs/dbraw/zinc/12/47/68/1182124768.db2.gz OSDNVAVWYFLDII-UHFFFAOYSA-N 2 1 305.426 0.472 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001716500850 1182415142 /nfs/dbraw/zinc/41/51/42/1182415142.db2.gz LDHSZOQZOFJTFV-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001716500850 1182415149 /nfs/dbraw/zinc/41/51/49/1182415149.db2.gz LDHSZOQZOFJTFV-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716500850 1182415152 /nfs/dbraw/zinc/41/51/52/1182415152.db2.gz LDHSZOQZOFJTFV-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001716500850 1182415158 /nfs/dbraw/zinc/41/51/58/1182415158.db2.gz LDHSZOQZOFJTFV-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001716924721 1182579903 /nfs/dbraw/zinc/57/99/03/1182579903.db2.gz HDZSNSFJSMHNKP-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001716924721 1182579909 /nfs/dbraw/zinc/57/99/09/1182579909.db2.gz HDZSNSFJSMHNKP-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001716924721 1182579913 /nfs/dbraw/zinc/57/99/13/1182579913.db2.gz HDZSNSFJSMHNKP-YQQAZPJKSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716928503 1182583002 /nfs/dbraw/zinc/58/30/02/1182583002.db2.gz CREUDUFUOMLGQL-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@H+](CCC)C2)CC1 ZINC001717028642 1182634864 /nfs/dbraw/zinc/63/48/64/1182634864.db2.gz XMWNCGBYIHAWMV-SFHVURJKSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001717062295 1182659211 /nfs/dbraw/zinc/65/92/11/1182659211.db2.gz OQDZADQOEAATJC-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCO1 ZINC001717179386 1182713324 /nfs/dbraw/zinc/71/33/24/1182713324.db2.gz LRNOYKWYHQTSML-GOEBONIOSA-N 2 1 318.421 0.757 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@H](C)Cc2cnc[nH]2)CCOCC1 ZINC001717267711 1182758508 /nfs/dbraw/zinc/75/85/08/1182758508.db2.gz XZRTZZXDBXDWJG-CQSZACIVSA-N 2 1 318.421 0.867 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717478789 1182852505 /nfs/dbraw/zinc/85/25/05/1182852505.db2.gz ABCZJRJHWBCWCA-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001717993524 1183099662 /nfs/dbraw/zinc/09/96/62/1183099662.db2.gz SPJLIOIXCVZVEY-UHFFFAOYSA-N 2 1 304.394 0.420 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001723878305 1184357266 /nfs/dbraw/zinc/35/72/66/1184357266.db2.gz ZJCSUBMSVCHJBT-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001723996935 1184366889 /nfs/dbraw/zinc/36/68/89/1184366889.db2.gz CEYGRAIDJIVFDR-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724065111 1184374423 /nfs/dbraw/zinc/37/44/23/1184374423.db2.gz OHELRZFTBVTSFP-MRXNPFEDSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)CCc2cnc[nH]2)CCOCC1 ZINC001724354033 1184413530 /nfs/dbraw/zinc/41/35/30/1184413530.db2.gz WAKXLBKKWMGQDZ-UHFFFAOYSA-N 2 1 304.394 0.621 20 30 DCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001724683474 1184518605 /nfs/dbraw/zinc/51/86/05/1184518605.db2.gz DGHKUYYDUMSMMQ-MRXNPFEDSA-N 2 1 303.406 0.333 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001724962366 1184636035 /nfs/dbraw/zinc/63/60/35/1184636035.db2.gz RCLIIRQUHSQSKQ-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001725498873 1184847814 /nfs/dbraw/zinc/84/78/14/1184847814.db2.gz VSNAEMASDWYMDR-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)C[C@H](C)O)C(C)C)CC1 ZINC001725731272 1184977288 /nfs/dbraw/zinc/97/72/88/1184977288.db2.gz BWZPQVXTAVJRDD-INIZCTEOSA-N 2 1 323.481 0.881 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC#CCOC)C1 ZINC001731782207 1185483399 /nfs/dbraw/zinc/48/33/99/1185483399.db2.gz GRNWTYPQGLGRNC-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)CC#CCOC)C1 ZINC001731782207 1185483405 /nfs/dbraw/zinc/48/34/05/1185483405.db2.gz GRNWTYPQGLGRNC-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC#CCOC)C1 ZINC001731782207 1185483409 /nfs/dbraw/zinc/48/34/09/1185483409.db2.gz GRNWTYPQGLGRNC-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001731784101 1185486146 /nfs/dbraw/zinc/48/61/46/1185486146.db2.gz UYGRMNYNAZSQKK-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001731784101 1185486148 /nfs/dbraw/zinc/48/61/48/1185486148.db2.gz UYGRMNYNAZSQKK-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001731984264 1185624706 /nfs/dbraw/zinc/62/47/06/1185624706.db2.gz RWDCRAVWEZHJFA-HNNXBMFYSA-N 2 1 324.469 0.411 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001732398884 1185799323 /nfs/dbraw/zinc/79/93/23/1185799323.db2.gz LPHHTMIZVFNTGO-AWEZNQCLSA-N 2 1 322.453 0.259 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cncc(F)c1 ZINC001732958314 1186080840 /nfs/dbraw/zinc/08/08/40/1186080840.db2.gz JSWRIYYDVQZJFI-CJNGLKHVSA-N 2 1 318.396 0.913 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cncc(F)c1 ZINC001732958314 1186080845 /nfs/dbraw/zinc/08/08/45/1186080845.db2.gz JSWRIYYDVQZJFI-CJNGLKHVSA-N 2 1 318.396 0.913 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001732983109 1186091258 /nfs/dbraw/zinc/09/12/58/1186091258.db2.gz FVCAAMXBQOWPQU-KGLIPLIRSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCn1cccn1 ZINC001733106680 1186141798 /nfs/dbraw/zinc/14/17/98/1186141798.db2.gz PNUMNUOQBMEZFV-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCn1cccn1 ZINC001733106680 1186141804 /nfs/dbraw/zinc/14/18/04/1186141804.db2.gz PNUMNUOQBMEZFV-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](C[C@H](C)O)CC1 ZINC001733373792 1186244746 /nfs/dbraw/zinc/24/47/46/1186244746.db2.gz JUQVUZDMPQSLDE-HNNXBMFYSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC#C)CC1 ZINC001733374012 1186245706 /nfs/dbraw/zinc/24/57/06/1186245706.db2.gz QJBVAHKWITYBPC-MRXNPFEDSA-N 2 1 301.434 0.888 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001733594003 1186351897 /nfs/dbraw/zinc/35/18/97/1186351897.db2.gz TUYCZMRRMZRKQZ-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001733594003 1186351903 /nfs/dbraw/zinc/35/19/03/1186351903.db2.gz TUYCZMRRMZRKQZ-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001733594003 1186351906 /nfs/dbraw/zinc/35/19/06/1186351906.db2.gz TUYCZMRRMZRKQZ-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001733594003 1186351911 /nfs/dbraw/zinc/35/19/11/1186351911.db2.gz TUYCZMRRMZRKQZ-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001734181860 1186571589 /nfs/dbraw/zinc/57/15/89/1186571589.db2.gz JDNNDOHVNOWRBO-HIFRSBDPSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001734523885 1186676637 /nfs/dbraw/zinc/67/66/37/1186676637.db2.gz ZOSNVMSECMSXPP-HOTGVXAUSA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001734547449 1186687811 /nfs/dbraw/zinc/68/78/11/1186687811.db2.gz UASWPZSFCKVMTO-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001734547449 1186687814 /nfs/dbraw/zinc/68/78/14/1186687814.db2.gz UASWPZSFCKVMTO-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001734547449 1186687815 /nfs/dbraw/zinc/68/78/15/1186687815.db2.gz UASWPZSFCKVMTO-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001753139982 1188512898 /nfs/dbraw/zinc/51/28/98/1188512898.db2.gz JBCAPERYQWGCLA-HNNXBMFYSA-N 2 1 306.410 0.832 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001753139982 1188512901 /nfs/dbraw/zinc/51/29/01/1188512901.db2.gz JBCAPERYQWGCLA-HNNXBMFYSA-N 2 1 306.410 0.832 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C)ncn1 ZINC001753198921 1188531967 /nfs/dbraw/zinc/53/19/67/1188531967.db2.gz KMIJMNYHHMPAJS-INIZCTEOSA-N 2 1 315.421 0.431 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C)ncn1 ZINC001753198921 1188531968 /nfs/dbraw/zinc/53/19/68/1188531968.db2.gz KMIJMNYHHMPAJS-INIZCTEOSA-N 2 1 315.421 0.431 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001753342878 1188568919 /nfs/dbraw/zinc/56/89/19/1188568919.db2.gz BGGRWNIODYTPFD-QGZVFWFLSA-N 2 1 320.481 0.428 20 30 DCEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001753367339 1188573964 /nfs/dbraw/zinc/57/39/64/1188573964.db2.gz GOBUMANNXYNHOZ-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001753367339 1188573970 /nfs/dbraw/zinc/57/39/70/1188573970.db2.gz GOBUMANNXYNHOZ-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001753367339 1188573971 /nfs/dbraw/zinc/57/39/71/1188573971.db2.gz GOBUMANNXYNHOZ-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001753367339 1188573973 /nfs/dbraw/zinc/57/39/73/1188573973.db2.gz GOBUMANNXYNHOZ-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001753729231 1188648479 /nfs/dbraw/zinc/64/84/79/1188648479.db2.gz IVFYFRFXNUJCMR-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CCCCC1 ZINC001753749166 1188650427 /nfs/dbraw/zinc/65/04/27/1188650427.db2.gz DMRPGXUCUJDSKK-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CCCCC1 ZINC001753749166 1188650429 /nfs/dbraw/zinc/65/04/29/1188650429.db2.gz DMRPGXUCUJDSKK-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001753922695 1188683373 /nfs/dbraw/zinc/68/33/73/1188683373.db2.gz UKCNSWBEYXCAQI-INIZCTEOSA-N 2 1 309.454 0.731 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001754286147 1188809182 /nfs/dbraw/zinc/80/91/82/1188809182.db2.gz ZARLJAWWSUYYGV-AWEZNQCLSA-N 2 1 306.410 0.751 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001754600546 1188887744 /nfs/dbraw/zinc/88/77/44/1188887744.db2.gz DXRWLKCUQCWDAO-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001754600989 1188888106 /nfs/dbraw/zinc/88/81/06/1188888106.db2.gz JWHIPSVUHDEGEP-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001754975399 1188985971 /nfs/dbraw/zinc/98/59/71/1188985971.db2.gz YBONOMQUJYNKAM-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001754975399 1188985972 /nfs/dbraw/zinc/98/59/72/1188985972.db2.gz YBONOMQUJYNKAM-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CCO1 ZINC001755014680 1188996828 /nfs/dbraw/zinc/99/68/28/1188996828.db2.gz PWLLXIQXHQLVSP-RDJZCZTQSA-N 2 1 305.422 0.313 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001755422834 1189108602 /nfs/dbraw/zinc/10/86/02/1189108602.db2.gz KPKWYUFLRHETJF-HHARLNAUSA-N 2 1 321.465 0.823 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001755422834 1189108606 /nfs/dbraw/zinc/10/86/06/1189108606.db2.gz KPKWYUFLRHETJF-HHARLNAUSA-N 2 1 321.465 0.823 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001755422834 1189108607 /nfs/dbraw/zinc/10/86/07/1189108607.db2.gz KPKWYUFLRHETJF-HHARLNAUSA-N 2 1 321.465 0.823 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001755694241 1189187078 /nfs/dbraw/zinc/18/70/78/1189187078.db2.gz VHENQFYUASCWGR-ZFWWWQNUSA-N 2 1 306.410 0.973 20 30 DCEDMP CC[N@H+]1CCC[C@@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303864514 1190296975 /nfs/dbraw/zinc/29/69/75/1190296975.db2.gz AZOPSORUCFKAGR-HNNXBMFYSA-N 2 1 311.474 0.216 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192531 746970014 /nfs/dbraw/zinc/97/00/14/746970014.db2.gz FKJDLXWSGNOCEB-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192531 746970019 /nfs/dbraw/zinc/97/00/19/746970019.db2.gz FKJDLXWSGNOCEB-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192531 746970023 /nfs/dbraw/zinc/97/00/23/746970023.db2.gz FKJDLXWSGNOCEB-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC)C[C@@H]32)CC1 ZINC001083283779 747857308 /nfs/dbraw/zinc/85/73/08/747857308.db2.gz SJGWAWJXDNHSAU-JKSUJKDBSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105040081 748012902 /nfs/dbraw/zinc/01/29/02/748012902.db2.gz DNXFPGQDIBQKKI-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105040081 748012908 /nfs/dbraw/zinc/01/29/08/748012908.db2.gz DNXFPGQDIBQKKI-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100872573 748323404 /nfs/dbraw/zinc/32/34/04/748323404.db2.gz AGHCWNKTDIMYOX-WLYUNCDWSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001105366422 748531527 /nfs/dbraw/zinc/53/15/27/748531527.db2.gz OPBRWFLKXZHPHF-UHFFFAOYSA-N 2 1 306.414 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001105366422 748531533 /nfs/dbraw/zinc/53/15/33/748531533.db2.gz OPBRWFLKXZHPHF-UHFFFAOYSA-N 2 1 306.414 0.279 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)[C@@H]2CC)CC1 ZINC001087839207 749078289 /nfs/dbraw/zinc/07/82/89/749078289.db2.gz POWKDZWYPYOPPJ-DLBZAZTESA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920073 749133215 /nfs/dbraw/zinc/13/32/15/749133215.db2.gz DGRKWMUUZBFKFX-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920073 749133222 /nfs/dbraw/zinc/13/32/22/749133222.db2.gz DGRKWMUUZBFKFX-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920073 749133226 /nfs/dbraw/zinc/13/32/26/749133226.db2.gz DGRKWMUUZBFKFX-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920073 749133230 /nfs/dbraw/zinc/13/32/30/749133230.db2.gz DGRKWMUUZBFKFX-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCF)CC[C@@H]2C1 ZINC001087998122 749184363 /nfs/dbraw/zinc/18/43/63/749184363.db2.gz SEFIGSYLEYIUTP-PMPSAXMXSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCF)CC[C@@H]2C1 ZINC001087998122 749184370 /nfs/dbraw/zinc/18/43/70/749184370.db2.gz SEFIGSYLEYIUTP-PMPSAXMXSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCF)CC[C@@H]2C1 ZINC001087998122 749184373 /nfs/dbraw/zinc/18/43/73/749184373.db2.gz SEFIGSYLEYIUTP-PMPSAXMXSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCF)CC[C@@H]2C1 ZINC001087998122 749184377 /nfs/dbraw/zinc/18/43/77/749184377.db2.gz SEFIGSYLEYIUTP-PMPSAXMXSA-N 2 1 307.413 0.834 20 30 DCEDMP COc1ccnc(C(=N)Nc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)n1 ZINC001168422351 750745279 /nfs/dbraw/zinc/74/52/79/750745279.db2.gz LPTMMVQDAQCMGE-UHFFFAOYSA-N 2 1 323.360 0.857 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106323217 751108985 /nfs/dbraw/zinc/10/89/85/751108985.db2.gz YUPQMTTWXGAUQR-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203507783 751182734 /nfs/dbraw/zinc/18/27/34/751182734.db2.gz VGODNWDJLVJHRA-JKSUJKDBSA-N 2 1 319.449 0.749 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001077777419 752520212 /nfs/dbraw/zinc/52/02/12/752520212.db2.gz LBFNKASTAREKLT-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001077777419 752520217 /nfs/dbraw/zinc/52/02/17/752520217.db2.gz LBFNKASTAREKLT-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CCCCCC ZINC001168595305 752670134 /nfs/dbraw/zinc/67/01/34/752670134.db2.gz IPDWYXGBLMDHHK-UHFFFAOYSA-N 2 1 324.469 0.344 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077893030 752820587 /nfs/dbraw/zinc/82/05/87/752820587.db2.gz WJANWFSMNFCQKA-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077893030 752820595 /nfs/dbraw/zinc/82/05/95/752820595.db2.gz WJANWFSMNFCQKA-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501171 753752871 /nfs/dbraw/zinc/75/28/71/753752871.db2.gz LHOUKPOLQYOYEM-AUCMRZJMSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501171 753752874 /nfs/dbraw/zinc/75/28/74/753752874.db2.gz LHOUKPOLQYOYEM-AUCMRZJMSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501171 753752877 /nfs/dbraw/zinc/75/28/77/753752877.db2.gz LHOUKPOLQYOYEM-AUCMRZJMSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046566402 753796231 /nfs/dbraw/zinc/79/62/31/753796231.db2.gz AGVMEUDOACAHFT-NVXWUHKLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046566402 753796233 /nfs/dbraw/zinc/79/62/33/753796233.db2.gz AGVMEUDOACAHFT-NVXWUHKLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046566402 753796234 /nfs/dbraw/zinc/79/62/34/753796234.db2.gz AGVMEUDOACAHFT-NVXWUHKLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566402 753796237 /nfs/dbraw/zinc/79/62/37/753796237.db2.gz AGVMEUDOACAHFT-NVXWUHKLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046697031 753881677 /nfs/dbraw/zinc/88/16/77/753881677.db2.gz ZQHUUELSBMZCGO-QGZVFWFLSA-N 2 1 317.437 0.662 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047469905 754309134 /nfs/dbraw/zinc/30/91/34/754309134.db2.gz BZYZZFOZHAZGBM-ULQDDVLXSA-N 2 1 321.465 0.940 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001047498508 754333158 /nfs/dbraw/zinc/33/31/58/754333158.db2.gz YWQIOAFGNSVDQZ-JYJNAYRXSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498508 754333164 /nfs/dbraw/zinc/33/31/64/754333164.db2.gz YWQIOAFGNSVDQZ-JYJNAYRXSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498508 754333171 /nfs/dbraw/zinc/33/31/71/754333171.db2.gz YWQIOAFGNSVDQZ-JYJNAYRXSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498508 754333177 /nfs/dbraw/zinc/33/31/77/754333177.db2.gz YWQIOAFGNSVDQZ-JYJNAYRXSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001047498509 754333975 /nfs/dbraw/zinc/33/39/75/754333975.db2.gz YWQIOAFGNSVDQZ-PMPSAXMXSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498509 754333977 /nfs/dbraw/zinc/33/39/77/754333977.db2.gz YWQIOAFGNSVDQZ-PMPSAXMXSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498509 754333979 /nfs/dbraw/zinc/33/39/79/754333979.db2.gz YWQIOAFGNSVDQZ-PMPSAXMXSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498509 754333982 /nfs/dbraw/zinc/33/39/82/754333982.db2.gz YWQIOAFGNSVDQZ-PMPSAXMXSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CC=C)C[C@@H]2O)CC1 ZINC001047638418 754454199 /nfs/dbraw/zinc/45/41/99/754454199.db2.gz RPGUNXXBQYYFDI-HOTGVXAUSA-N 2 1 305.422 0.021 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC=C)C[C@@H]2O)CC1 ZINC001047638418 754454207 /nfs/dbraw/zinc/45/42/07/754454207.db2.gz RPGUNXXBQYYFDI-HOTGVXAUSA-N 2 1 305.422 0.021 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391025 755247728 /nfs/dbraw/zinc/24/77/28/755247728.db2.gz FYTAXRHRAZNFDJ-BZUAXINKSA-N 2 1 305.422 0.406 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001053806931 756215830 /nfs/dbraw/zinc/21/58/30/756215830.db2.gz VRRXOYLWRMESFB-QLFBSQMISA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001053806931 756215831 /nfs/dbraw/zinc/21/58/31/756215831.db2.gz VRRXOYLWRMESFB-QLFBSQMISA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053984283 756315533 /nfs/dbraw/zinc/31/55/33/756315533.db2.gz UGQUSSLEHSPMDG-CQSZACIVSA-N 2 1 305.422 0.618 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054107695 756368347 /nfs/dbraw/zinc/36/83/47/756368347.db2.gz GEQLEOSIDCYISQ-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054107695 756368349 /nfs/dbraw/zinc/36/83/49/756368349.db2.gz GEQLEOSIDCYISQ-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054107695 756368352 /nfs/dbraw/zinc/36/83/52/756368352.db2.gz GEQLEOSIDCYISQ-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054107695 756368356 /nfs/dbraw/zinc/36/83/56/756368356.db2.gz GEQLEOSIDCYISQ-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788775 756786348 /nfs/dbraw/zinc/78/63/48/756786348.db2.gz ZPXFSSKZOOVRDP-GVDBMIGSSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788775 756786350 /nfs/dbraw/zinc/78/63/50/756786350.db2.gz ZPXFSSKZOOVRDP-GVDBMIGSSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788775 756786352 /nfs/dbraw/zinc/78/63/52/756786352.db2.gz ZPXFSSKZOOVRDP-GVDBMIGSSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788775 756786356 /nfs/dbraw/zinc/78/63/56/756786356.db2.gz ZPXFSSKZOOVRDP-GVDBMIGSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001082708641 757240468 /nfs/dbraw/zinc/24/04/68/757240468.db2.gz FYSLBHWUPGIDJV-IVMMDQJWSA-N 2 1 300.406 0.824 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164937 757439822 /nfs/dbraw/zinc/43/98/22/757439822.db2.gz PUARTRISONKGIW-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164937 757439824 /nfs/dbraw/zinc/43/98/24/757439824.db2.gz PUARTRISONKGIW-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083110878 757470333 /nfs/dbraw/zinc/47/03/33/757470333.db2.gz YLIRJDUDYHEFJW-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110878 757470339 /nfs/dbraw/zinc/47/03/39/757470339.db2.gz YLIRJDUDYHEFJW-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110878 757470343 /nfs/dbraw/zinc/47/03/43/757470343.db2.gz YLIRJDUDYHEFJW-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110878 757470347 /nfs/dbraw/zinc/47/03/47/757470347.db2.gz YLIRJDUDYHEFJW-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090852 757670608 /nfs/dbraw/zinc/67/06/08/757670608.db2.gz LNYVQAKUWVGICE-CVEARBPZSA-N 2 1 303.406 0.709 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090852 757670613 /nfs/dbraw/zinc/67/06/13/757670613.db2.gz LNYVQAKUWVGICE-CVEARBPZSA-N 2 1 303.406 0.709 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941404 758131548 /nfs/dbraw/zinc/13/15/48/758131548.db2.gz HEWXAXRMLXTKAM-ZACQAIPSSA-N 2 1 301.434 0.884 20 30 DCEDMP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051996477 759099246 /nfs/dbraw/zinc/09/92/46/759099246.db2.gz NGRLGBXNBYEISN-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108926 759185471 /nfs/dbraw/zinc/18/54/71/759185471.db2.gz SOAVQEACFZEWNC-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108926 759185475 /nfs/dbraw/zinc/18/54/75/759185475.db2.gz SOAVQEACFZEWNC-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108926 759185476 /nfs/dbraw/zinc/18/54/76/759185476.db2.gz SOAVQEACFZEWNC-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108926 759185480 /nfs/dbraw/zinc/18/54/80/759185480.db2.gz SOAVQEACFZEWNC-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCCN1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001108215596 759399274 /nfs/dbraw/zinc/39/92/74/759399274.db2.gz GMYABDYZQJSNOB-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001108215596 759399283 /nfs/dbraw/zinc/39/92/83/759399283.db2.gz GMYABDYZQJSNOB-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001108215596 759399293 /nfs/dbraw/zinc/39/92/93/759399293.db2.gz GMYABDYZQJSNOB-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001108215596 759399310 /nfs/dbraw/zinc/39/93/10/759399310.db2.gz GMYABDYZQJSNOB-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001098406681 759707498 /nfs/dbraw/zinc/70/74/98/759707498.db2.gz UBSVBTWLIOJZGR-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098406681 759707504 /nfs/dbraw/zinc/70/75/04/759707504.db2.gz UBSVBTWLIOJZGR-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098406681 759707512 /nfs/dbraw/zinc/70/75/12/759707512.db2.gz UBSVBTWLIOJZGR-KRWDZBQOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086460432 760218750 /nfs/dbraw/zinc/21/87/50/760218750.db2.gz WNNBASYUKFSIPE-KKUMJFAQSA-N 2 1 300.406 0.872 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 ZINC001100094630 760246197 /nfs/dbraw/zinc/24/61/97/760246197.db2.gz PVPYJGDFLHOBQE-GJZGRUSLSA-N 2 1 306.410 0.480 20 30 DCEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001108777669 761043220 /nfs/dbraw/zinc/04/32/20/761043220.db2.gz DKMFSIPBYKYPEO-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097244 761081101 /nfs/dbraw/zinc/08/11/01/761081101.db2.gz IQTTUNIFHJWXJF-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097244 761081106 /nfs/dbraw/zinc/08/11/06/761081106.db2.gz IQTTUNIFHJWXJF-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097244 761081116 /nfs/dbraw/zinc/08/11/16/761081116.db2.gz IQTTUNIFHJWXJF-KFWWJZLASA-N 2 1 318.425 0.147 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123656353 768014875 /nfs/dbraw/zinc/01/48/75/768014875.db2.gz ROUNUGJPKKHCPY-GDBMZVCRSA-N 2 1 323.485 0.570 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)N(C)C)C2 ZINC001109400703 761397799 /nfs/dbraw/zinc/39/77/99/761397799.db2.gz RFSLXVRVDWQHAC-FXUDXRNXSA-N 2 1 315.421 0.168 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)N(C)C)C2 ZINC001109400703 761397807 /nfs/dbraw/zinc/39/78/07/761397807.db2.gz RFSLXVRVDWQHAC-FXUDXRNXSA-N 2 1 315.421 0.168 20 30 DCEDMP COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001109449032 761422147 /nfs/dbraw/zinc/42/21/47/761422147.db2.gz BGYUWFRXYFTPTM-QZWWFDLISA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C)C2 ZINC001109449032 761422151 /nfs/dbraw/zinc/42/21/51/761422151.db2.gz BGYUWFRXYFTPTM-QZWWFDLISA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148838607 768040568 /nfs/dbraw/zinc/04/05/68/768040568.db2.gz BRVCBCNEZAUBMQ-UHFFFAOYSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148838607 768040572 /nfs/dbraw/zinc/04/05/72/768040572.db2.gz BRVCBCNEZAUBMQ-UHFFFAOYSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148838607 768040576 /nfs/dbraw/zinc/04/05/76/768040576.db2.gz BRVCBCNEZAUBMQ-UHFFFAOYSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071020733 761588866 /nfs/dbraw/zinc/58/88/66/761588866.db2.gz RSLNTJFCLFLNMR-OAHLLOKOSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020733 761588869 /nfs/dbraw/zinc/58/88/69/761588869.db2.gz RSLNTJFCLFLNMR-OAHLLOKOSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020733 761588874 /nfs/dbraw/zinc/58/88/74/761588874.db2.gz RSLNTJFCLFLNMR-OAHLLOKOSA-N 2 1 322.453 0.165 20 30 DCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001071042697 761597929 /nfs/dbraw/zinc/59/79/29/761597929.db2.gz FQWFBPIMOVLYFI-IKGGRYGDSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071104339 761621394 /nfs/dbraw/zinc/62/13/94/761621394.db2.gz SLHGRVUBNRKSCL-BBWFWOEESA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](C)O2 ZINC001098662959 762706351 /nfs/dbraw/zinc/70/63/51/762706351.db2.gz RETOSUDHKGICQY-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001099170604 762825225 /nfs/dbraw/zinc/82/52/25/762825225.db2.gz HHYSLCRRTAZTEN-ZOBUZTSGSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001099170604 762825231 /nfs/dbraw/zinc/82/52/31/762825231.db2.gz HHYSLCRRTAZTEN-ZOBUZTSGSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099170604 762825238 /nfs/dbraw/zinc/82/52/38/762825238.db2.gz HHYSLCRRTAZTEN-ZOBUZTSGSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099170604 762825244 /nfs/dbraw/zinc/82/52/44/762825244.db2.gz HHYSLCRRTAZTEN-ZOBUZTSGSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589372 762907549 /nfs/dbraw/zinc/90/75/49/762907549.db2.gz XHTCYODGHZFUGQ-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291072 762923654 /nfs/dbraw/zinc/92/36/54/762923654.db2.gz RTRWHKHVBFQROB-MWDXBVQZSA-N 2 1 317.433 0.024 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129422842 762935843 /nfs/dbraw/zinc/93/58/43/762935843.db2.gz MHWGCEQYCYLMSH-HUUCEWRRSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccnc1C ZINC001129762429 763002256 /nfs/dbraw/zinc/00/22/56/763002256.db2.gz MFWDNWQHDLOBBE-INIZCTEOSA-N 2 1 300.406 0.693 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccnc1C ZINC001129762429 763002261 /nfs/dbraw/zinc/00/22/61/763002261.db2.gz MFWDNWQHDLOBBE-INIZCTEOSA-N 2 1 300.406 0.693 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnc(C)nc1 ZINC001129771099 763009267 /nfs/dbraw/zinc/00/92/67/763009267.db2.gz QTOQWDMDTVHTPA-HNNXBMFYSA-N 2 1 301.394 0.088 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnc(C)nc1 ZINC001129771099 763009273 /nfs/dbraw/zinc/00/92/73/763009273.db2.gz QTOQWDMDTVHTPA-HNNXBMFYSA-N 2 1 301.394 0.088 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncccc1C ZINC001129775775 763010268 /nfs/dbraw/zinc/01/02/68/763010268.db2.gz UJFVBDQPYWUCBH-INIZCTEOSA-N 2 1 300.406 0.693 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncccc1C ZINC001129775775 763010272 /nfs/dbraw/zinc/01/02/72/763010272.db2.gz UJFVBDQPYWUCBH-INIZCTEOSA-N 2 1 300.406 0.693 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879088 763096010 /nfs/dbraw/zinc/09/60/10/763096010.db2.gz FGVCYCWINSDLIP-CVEARBPZSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013310 763217231 /nfs/dbraw/zinc/21/72/31/763217231.db2.gz LGDDIQPATHVBCW-GJZGRUSLSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013310 763217240 /nfs/dbraw/zinc/21/72/40/763217240.db2.gz LGDDIQPATHVBCW-GJZGRUSLSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013310 763217250 /nfs/dbraw/zinc/21/72/50/763217250.db2.gz LGDDIQPATHVBCW-GJZGRUSLSA-N 2 1 309.454 0.539 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100035026 763239016 /nfs/dbraw/zinc/23/90/16/763239016.db2.gz XAJZPCRGIFVMRY-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100035026 763239019 /nfs/dbraw/zinc/23/90/19/763239019.db2.gz XAJZPCRGIFVMRY-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001100522901 763632321 /nfs/dbraw/zinc/63/23/21/763632321.db2.gz MJLBBBIGQSOWOG-QFQXCOSMSA-N 2 1 319.449 0.910 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681693 763935329 /nfs/dbraw/zinc/93/53/29/763935329.db2.gz GPDHZGYXMHQPEO-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352188 764067162 /nfs/dbraw/zinc/06/71/62/764067162.db2.gz WDKGGVLLGXNVNB-WBVHZDCISA-N 2 1 309.454 0.921 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101548 768192184 /nfs/dbraw/zinc/19/21/84/768192184.db2.gz IXMAGZKUVYOXLK-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101548 768192188 /nfs/dbraw/zinc/19/21/88/768192188.db2.gz IXMAGZKUVYOXLK-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272752 764354358 /nfs/dbraw/zinc/35/43/58/764354358.db2.gz BIJHHEIKROACKG-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272752 764354365 /nfs/dbraw/zinc/35/43/65/764354365.db2.gz BIJHHEIKROACKG-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369987 764618829 /nfs/dbraw/zinc/61/88/29/764618829.db2.gz MXZDHIYXSWYYAC-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369987 764618832 /nfs/dbraw/zinc/61/88/32/764618832.db2.gz MXZDHIYXSWYYAC-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369987 764618834 /nfs/dbraw/zinc/61/88/34/764618834.db2.gz MXZDHIYXSWYYAC-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488732 764664197 /nfs/dbraw/zinc/66/41/97/764664197.db2.gz GTGCWPHRIXYSRU-HUUCEWRRSA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514287 764676076 /nfs/dbraw/zinc/67/60/76/764676076.db2.gz SPIOHHIAOXAVIY-IXDOHACOSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514287 764676081 /nfs/dbraw/zinc/67/60/81/764676081.db2.gz SPIOHHIAOXAVIY-IXDOHACOSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514287 764676087 /nfs/dbraw/zinc/67/60/87/764676087.db2.gz SPIOHHIAOXAVIY-IXDOHACOSA-N 2 1 321.465 0.662 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203179 768241349 /nfs/dbraw/zinc/24/13/49/768241349.db2.gz HEGGQKLNNFFWLA-WBVHZDCISA-N 2 1 301.434 0.886 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276644 768255231 /nfs/dbraw/zinc/25/52/31/768255231.db2.gz XWBMOPRDEBIDAK-JZXOWHBKSA-N 2 1 321.465 0.921 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133870595 765185223 /nfs/dbraw/zinc/18/52/23/765185223.db2.gz UUDVVBDASLFBNI-CABCVRRESA-N 2 1 324.469 0.315 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658475 765344093 /nfs/dbraw/zinc/34/40/93/765344093.db2.gz BOVLFYROBGSNAH-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658475 765344100 /nfs/dbraw/zinc/34/41/00/765344100.db2.gz BOVLFYROBGSNAH-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658475 765344108 /nfs/dbraw/zinc/34/41/08/765344108.db2.gz BOVLFYROBGSNAH-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658475 765344114 /nfs/dbraw/zinc/34/41/14/765344114.db2.gz BOVLFYROBGSNAH-BQFCYCMXSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939913 765432919 /nfs/dbraw/zinc/43/29/19/765432919.db2.gz ZVCMIAWRNYLLSV-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115299653 765680563 /nfs/dbraw/zinc/68/05/63/765680563.db2.gz CSALKWRNSJUZCR-NYTXWWLZSA-N 2 1 322.453 0.064 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115299653 765680568 /nfs/dbraw/zinc/68/05/68/765680568.db2.gz CSALKWRNSJUZCR-NYTXWWLZSA-N 2 1 322.453 0.064 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115299653 765680574 /nfs/dbraw/zinc/68/05/74/765680574.db2.gz CSALKWRNSJUZCR-NYTXWWLZSA-N 2 1 322.453 0.064 20 30 DCEDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)cc1C#N ZINC001124837232 768312356 /nfs/dbraw/zinc/31/23/56/768312356.db2.gz KUEXGTPXOGJYOD-OAHLLOKOSA-N 2 1 316.405 0.867 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090671034 766452400 /nfs/dbraw/zinc/45/24/00/766452400.db2.gz FUXXYSYGUFDVMM-HZPDHXFCSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)C)C[C@H]2O)CC1 ZINC001090830803 766649708 /nfs/dbraw/zinc/64/97/08/766649708.db2.gz OWHQSIZRQLAZSQ-JKSUJKDBSA-N 2 1 307.438 0.291 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384924 769041127 /nfs/dbraw/zinc/04/11/27/769041127.db2.gz RDFOYRCJZXGGSH-BFYDXBDKSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384924 769041137 /nfs/dbraw/zinc/04/11/37/769041137.db2.gz RDFOYRCJZXGGSH-BFYDXBDKSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384924 769041148 /nfs/dbraw/zinc/04/11/48/769041148.db2.gz RDFOYRCJZXGGSH-BFYDXBDKSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384924 769041159 /nfs/dbraw/zinc/04/11/59/769041159.db2.gz RDFOYRCJZXGGSH-BFYDXBDKSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2=O)C1 ZINC001094713449 769170924 /nfs/dbraw/zinc/17/09/24/769170924.db2.gz BFIRIEZZLCANJS-HIFRSBDPSA-N 2 1 320.437 0.058 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713449 769170928 /nfs/dbraw/zinc/17/09/28/769170928.db2.gz BFIRIEZZLCANJS-HIFRSBDPSA-N 2 1 320.437 0.058 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1=O ZINC001152457407 769563944 /nfs/dbraw/zinc/56/39/44/769563944.db2.gz DEYGLUAZOXOZSA-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCc1cccc(C[NH+]2CCNCC[NH2+]CCNCC2)c1O ZINC001235871004 769954940 /nfs/dbraw/zinc/95/49/40/769954940.db2.gz NJQLZNZMXPSGCI-UHFFFAOYSA-N 2 1 318.465 0.705 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153851128 769962524 /nfs/dbraw/zinc/96/25/24/769962524.db2.gz WYPGFNNCQMIUBU-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153851128 769962530 /nfs/dbraw/zinc/96/25/30/769962530.db2.gz WYPGFNNCQMIUBU-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153851128 769962538 /nfs/dbraw/zinc/96/25/38/769962538.db2.gz WYPGFNNCQMIUBU-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153851128 769962545 /nfs/dbraw/zinc/96/25/45/769962545.db2.gz WYPGFNNCQMIUBU-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045243 770599666 /nfs/dbraw/zinc/59/96/66/770599666.db2.gz HDNLNWJLQVCNRV-HNNXBMFYSA-N 2 1 324.469 0.649 20 30 DCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249700 771628767 /nfs/dbraw/zinc/62/87/67/771628767.db2.gz SMQPENPJKAAZNQ-HZPDHXFCSA-N 2 1 319.453 0.970 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184433427 771786926 /nfs/dbraw/zinc/78/69/26/771786926.db2.gz IFLLJLSBANHPEA-GYMHETDLSA-N 2 1 303.406 0.063 20 30 DCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159877697 771971820 /nfs/dbraw/zinc/97/18/20/771971820.db2.gz SCPJMQNIIFZVSX-ZDUSSCGKSA-N 2 1 313.833 0.662 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCCCOC ZINC001160209857 772010137 /nfs/dbraw/zinc/01/01/37/772010137.db2.gz ZGYOWUPGAAAZLF-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCCCOC ZINC001160209857 772010145 /nfs/dbraw/zinc/01/01/45/772010145.db2.gz ZGYOWUPGAAAZLF-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117143 772415525 /nfs/dbraw/zinc/41/55/25/772415525.db2.gz FYIHRPQDCTXAPI-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117143 772415529 /nfs/dbraw/zinc/41/55/29/772415529.db2.gz FYIHRPQDCTXAPI-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117143 772415531 /nfs/dbraw/zinc/41/55/31/772415531.db2.gz FYIHRPQDCTXAPI-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117143 772415535 /nfs/dbraw/zinc/41/55/35/772415535.db2.gz FYIHRPQDCTXAPI-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164577071 772683118 /nfs/dbraw/zinc/68/31/18/772683118.db2.gz IVOIPMIQCRIQFP-ZNMIVQPWSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCOCC)CC1 ZINC001165546020 772746172 /nfs/dbraw/zinc/74/61/72/772746172.db2.gz VYROZAZYAZWTAI-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCOCC)CC1 ZINC001165546020 772746177 /nfs/dbraw/zinc/74/61/77/772746177.db2.gz VYROZAZYAZWTAI-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001166249499 772796011 /nfs/dbraw/zinc/79/60/11/772796011.db2.gz JROFDZRWQRSQHW-CSLYMUCUSA-N 2 1 319.449 0.912 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152489 772875708 /nfs/dbraw/zinc/87/57/08/772875708.db2.gz HWLQXNVWHMKPCO-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193292121 773040838 /nfs/dbraw/zinc/04/08/38/773040838.db2.gz MMEZWZYQBUYMSC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193292121 773040841 /nfs/dbraw/zinc/04/08/41/773040841.db2.gz MMEZWZYQBUYMSC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292121 773040844 /nfs/dbraw/zinc/04/08/44/773040844.db2.gz MMEZWZYQBUYMSC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292121 773040845 /nfs/dbraw/zinc/04/08/45/773040845.db2.gz MMEZWZYQBUYMSC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207733927 773287564 /nfs/dbraw/zinc/28/75/64/773287564.db2.gz BBDYSNHQEHFEPO-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207733927 773287570 /nfs/dbraw/zinc/28/75/70/773287570.db2.gz BBDYSNHQEHFEPO-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982231 773299644 /nfs/dbraw/zinc/29/96/44/773299644.db2.gz DQBXIXHUFHETCQ-BRWVUGGUSA-N 2 1 321.465 0.988 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208330791 773435731 /nfs/dbraw/zinc/43/57/31/773435731.db2.gz FPRCXKMEYCFSDR-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673957 773728342 /nfs/dbraw/zinc/72/83/42/773728342.db2.gz KOVLBPCKAJGCMG-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434653 773847638 /nfs/dbraw/zinc/84/76/38/773847638.db2.gz JWQFHKOIJPHHSY-OWCLPIDISA-N 2 1 309.454 0.946 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434653 773847641 /nfs/dbraw/zinc/84/76/41/773847641.db2.gz JWQFHKOIJPHHSY-OWCLPIDISA-N 2 1 309.454 0.946 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184380 774047062 /nfs/dbraw/zinc/04/70/62/774047062.db2.gz AYZGLDZWEPVBQC-HCBPCCMXSA-N 2 1 317.433 0.309 20 30 DCEDMP C=CC[C@H]1[NH2+]CCC[C@H]1OCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001217926790 774206648 /nfs/dbraw/zinc/20/66/48/774206648.db2.gz KNKINLSSHPRQPH-HUUCEWRRSA-N 2 1 318.421 0.950 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCO1 ZINC001200687958 774390063 /nfs/dbraw/zinc/39/00/63/774390063.db2.gz IMWSCDUSYZJRNC-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704209 774395101 /nfs/dbraw/zinc/39/51/01/774395101.db2.gz JGQNXULFWLUSFH-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CCCO1 ZINC001201403376 774501752 /nfs/dbraw/zinc/50/17/52/774501752.db2.gz KFKMQNQEVFCNMQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCOCC[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201631248 774529889 /nfs/dbraw/zinc/52/98/89/774529889.db2.gz FANCFBZNCWEEKT-UHFFFAOYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202163273 774609789 /nfs/dbraw/zinc/60/97/89/774609789.db2.gz FUDLJMAEAODVPK-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830217 774623489 /nfs/dbraw/zinc/62/34/89/774623489.db2.gz RPKKJIIVYMUBGM-XHSDSOJGSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830217 774623494 /nfs/dbraw/zinc/62/34/94/774623494.db2.gz RPKKJIIVYMUBGM-XHSDSOJGSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830217 774623496 /nfs/dbraw/zinc/62/34/96/774623496.db2.gz RPKKJIIVYMUBGM-XHSDSOJGSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219920053 774645908 /nfs/dbraw/zinc/64/59/08/774645908.db2.gz YZUKXTSCUDVNTM-CVEARBPZSA-N 2 1 316.405 0.093 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001202496008 774724787 /nfs/dbraw/zinc/72/47/87/774724787.db2.gz MJSCQTDRCXHKCB-AWEZNQCLSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114408935 774844936 /nfs/dbraw/zinc/84/49/36/774844936.db2.gz CZSZSDKRNFBSMU-FXUDXRNXSA-N 2 1 305.422 0.023 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768459 774911561 /nfs/dbraw/zinc/91/15/61/774911561.db2.gz MZRSEIIVUDDRPK-KFWWJZLASA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158857 775011931 /nfs/dbraw/zinc/01/19/31/775011931.db2.gz ZYTRFNBSDDMDLY-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823114 775205491 /nfs/dbraw/zinc/20/54/91/775205491.db2.gz GVXZWHFGDIELFC-BRWVUGGUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823114 775205496 /nfs/dbraw/zinc/20/54/96/775205496.db2.gz GVXZWHFGDIELFC-BRWVUGGUSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225168320 775651336 /nfs/dbraw/zinc/65/13/36/775651336.db2.gz UAWBHRNKVHESAP-KRWDZBQOSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496437 775871297 /nfs/dbraw/zinc/87/12/97/775871297.db2.gz MLWCFSXKUBQOAY-VQFNDLOPSA-N 2 1 312.417 0.978 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230279693 776276346 /nfs/dbraw/zinc/27/63/46/776276346.db2.gz FNHXQKUDZKHPPW-HUUCEWRRSA-N 2 1 324.469 0.646 20 30 DCEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270990 777820889 /nfs/dbraw/zinc/82/08/89/777820889.db2.gz VNOJXRLPBIDHHB-HOTGVXAUSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270990 777820904 /nfs/dbraw/zinc/82/09/04/777820904.db2.gz VNOJXRLPBIDHHB-HOTGVXAUSA-N 2 1 305.422 0.265 20 30 DCEDMP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317578199 945072777 /nfs/dbraw/zinc/07/27/77/945072777.db2.gz HIRHBYINJQRQNL-QGZVFWFLSA-N 2 1 315.417 0.417 20 30 DCEDMP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317578199 945072789 /nfs/dbraw/zinc/07/27/89/945072789.db2.gz HIRHBYINJQRQNL-QGZVFWFLSA-N 2 1 315.417 0.417 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001317668503 945156823 /nfs/dbraw/zinc/15/68/23/945156823.db2.gz CWZYQMGVTZMGEO-OKILXGFUSA-N 2 1 310.442 0.209 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001317810984 945192805 /nfs/dbraw/zinc/19/28/05/945192805.db2.gz HPDOXRODSBYTQZ-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC2CCOCC2)CC1 ZINC001266362739 939095959 /nfs/dbraw/zinc/09/59/59/939095959.db2.gz SHIMOBRYBAPOMV-UHFFFAOYSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266415385 939111065 /nfs/dbraw/zinc/11/10/65/939111065.db2.gz UPOUPHBBYWJIDR-GJZGRUSLSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533614 939155016 /nfs/dbraw/zinc/15/50/16/939155016.db2.gz MYEFDNMKOZHVKU-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266537150 939156242 /nfs/dbraw/zinc/15/62/42/939156242.db2.gz FYKCWVQOXBFJHY-QGZVFWFLSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001266601590 939176177 /nfs/dbraw/zinc/17/61/77/939176177.db2.gz HFWBCCNXPNQAPU-QBPKDAKJSA-N 2 1 319.449 0.890 20 30 DCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267001218 939303582 /nfs/dbraw/zinc/30/35/82/939303582.db2.gz LLGMBCNRHUXXDZ-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP CC[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[NH2+]CC#CCOC ZINC001267824857 939690367 /nfs/dbraw/zinc/69/03/67/939690367.db2.gz ISFIJHPHUZYPJL-RDJZCZTQSA-N 2 1 307.438 0.607 20 30 DCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC#CCOC ZINC001268260705 940009447 /nfs/dbraw/zinc/00/94/47/940009447.db2.gz YECNNKRZTNJVOF-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC#CCOC ZINC001268260705 940009451 /nfs/dbraw/zinc/00/94/51/940009451.db2.gz YECNNKRZTNJVOF-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC#CCOC ZINC001268260705 940009453 /nfs/dbraw/zinc/00/94/53/940009453.db2.gz YECNNKRZTNJVOF-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC#CCOC ZINC001268260705 940009456 /nfs/dbraw/zinc/00/94/56/940009456.db2.gz YECNNKRZTNJVOF-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273145356 945327578 /nfs/dbraw/zinc/32/75/78/945327578.db2.gz WJWKWVUXBDMNGC-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273145356 945327586 /nfs/dbraw/zinc/32/75/86/945327586.db2.gz WJWKWVUXBDMNGC-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273145356 945327595 /nfs/dbraw/zinc/32/75/95/945327595.db2.gz WJWKWVUXBDMNGC-NVXWUHKLSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269287935 940672142 /nfs/dbraw/zinc/67/21/42/940672142.db2.gz OPTWLKJJCPJWMY-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001269287935 940672143 /nfs/dbraw/zinc/67/21/43/940672143.db2.gz OPTWLKJJCPJWMY-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287935 940672145 /nfs/dbraw/zinc/67/21/45/940672145.db2.gz OPTWLKJJCPJWMY-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287935 940672147 /nfs/dbraw/zinc/67/21/47/940672147.db2.gz OPTWLKJJCPJWMY-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001270054773 940825461 /nfs/dbraw/zinc/82/54/61/940825461.db2.gz KKNCYAPKPGSQIO-INIZCTEOSA-N 2 1 301.390 0.356 20 30 DCEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001270054773 940825462 /nfs/dbraw/zinc/82/54/62/940825462.db2.gz KKNCYAPKPGSQIO-INIZCTEOSA-N 2 1 301.390 0.356 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001270098056 940834280 /nfs/dbraw/zinc/83/42/80/940834280.db2.gz JPTFNKJVJGBCST-AWEZNQCLSA-N 2 1 319.409 0.074 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CCC3CC3)C2)CC1 ZINC001271393648 941365416 /nfs/dbraw/zinc/36/54/16/941365416.db2.gz OWFFFESFCFEYEF-UHFFFAOYSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001271610082 941410058 /nfs/dbraw/zinc/41/00/58/941410058.db2.gz UPTHQBIXBXXCES-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484437243 943383904 /nfs/dbraw/zinc/38/39/04/943383904.db2.gz DWYFKNSUWAVOPW-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484437243 943383914 /nfs/dbraw/zinc/38/39/14/943383914.db2.gz DWYFKNSUWAVOPW-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484437243 943383921 /nfs/dbraw/zinc/38/39/21/943383921.db2.gz DWYFKNSUWAVOPW-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)CC1)[NH+](C)C ZINC001484719344 943533996 /nfs/dbraw/zinc/53/39/96/943533996.db2.gz ZLFJSBSYIGLJJP-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484765769 943571343 /nfs/dbraw/zinc/57/13/43/943571343.db2.gz RFFOQZNWDFXJTR-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001484765769 943571348 /nfs/dbraw/zinc/57/13/48/943571348.db2.gz RFFOQZNWDFXJTR-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001484765769 943571352 /nfs/dbraw/zinc/57/13/52/943571352.db2.gz RFFOQZNWDFXJTR-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001485018371 943656973 /nfs/dbraw/zinc/65/69/73/943656973.db2.gz FORNOYHOUATXBD-OAHLLOKOSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001485520233 943980286 /nfs/dbraw/zinc/98/02/86/943980286.db2.gz NNKIPZGCTAWARD-HNNXBMFYSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)C1=O ZINC001485524464 943984865 /nfs/dbraw/zinc/98/48/65/943984865.db2.gz YYNLLUYZBVWWLY-DZGCQCFKSA-N 2 1 322.453 0.162 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCOCC1 ZINC001491486800 944035374 /nfs/dbraw/zinc/03/53/74/944035374.db2.gz PJIHFNIUWAEHGC-RDJZCZTQSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCOCC1 ZINC001491486800 944035382 /nfs/dbraw/zinc/03/53/82/944035382.db2.gz PJIHFNIUWAEHGC-RDJZCZTQSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272888107 944300801 /nfs/dbraw/zinc/30/08/01/944300801.db2.gz OKJSCLXWHCWLOZ-SFHVURJKSA-N 2 1 317.433 0.803 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001316840310 944591351 /nfs/dbraw/zinc/59/13/51/944591351.db2.gz NICVYOVYZUVELC-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001486184132 944632234 /nfs/dbraw/zinc/63/22/34/944632234.db2.gz QLHFICVUTAEEGA-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001486184132 944632237 /nfs/dbraw/zinc/63/22/37/944632237.db2.gz QLHFICVUTAEEGA-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001277060252 944645708 /nfs/dbraw/zinc/64/57/08/944645708.db2.gz LOFKQNJWFZOHQG-OAHLLOKOSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001277272014 944736086 /nfs/dbraw/zinc/73/60/86/944736086.db2.gz MDNIQILUXFZMAM-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277397280 944807759 /nfs/dbraw/zinc/80/77/59/944807759.db2.gz FWWBDHIJKBPUKF-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001277397280 944807763 /nfs/dbraw/zinc/80/77/63/944807763.db2.gz FWWBDHIJKBPUKF-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001277397280 944807768 /nfs/dbraw/zinc/80/77/68/944807768.db2.gz FWWBDHIJKBPUKF-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317322929 944922685 /nfs/dbraw/zinc/92/26/85/944922685.db2.gz RQFKKYJRNYIEMQ-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCN1CC[C@H](N(C)CCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001317471188 944990266 /nfs/dbraw/zinc/99/02/66/944990266.db2.gz DQZYJNGYDCOTTN-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001317471188 944990275 /nfs/dbraw/zinc/99/02/75/944990275.db2.gz DQZYJNGYDCOTTN-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[NH+](C)C(C)C)C1=O ZINC001317471188 944990282 /nfs/dbraw/zinc/99/02/82/944990282.db2.gz DQZYJNGYDCOTTN-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C[NH+](C)C(C)C)C1=O ZINC001317471188 944990293 /nfs/dbraw/zinc/99/02/93/944990293.db2.gz DQZYJNGYDCOTTN-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCC2CC2)C1 ZINC001273277768 946415356 /nfs/dbraw/zinc/41/53/56/946415356.db2.gz XTPYJHMAOMUHEH-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCC2CC2)C1 ZINC001273277768 946415359 /nfs/dbraw/zinc/41/53/59/946415359.db2.gz XTPYJHMAOMUHEH-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001278859566 946490930 /nfs/dbraw/zinc/49/09/30/946490930.db2.gz DKZZJFYRRYVWMT-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001278859566 946490938 /nfs/dbraw/zinc/49/09/38/946490938.db2.gz DKZZJFYRRYVWMT-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001278859566 946490942 /nfs/dbraw/zinc/49/09/42/946490942.db2.gz DKZZJFYRRYVWMT-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N[C@@H](C)CC ZINC001321876946 946496120 /nfs/dbraw/zinc/49/61/20/946496120.db2.gz ZLLLMJSNIBTAID-KKUMJFAQSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N[C@@H](C)CC ZINC001321876946 946496126 /nfs/dbraw/zinc/49/61/26/946496126.db2.gz ZLLLMJSNIBTAID-KKUMJFAQSA-N 2 1 322.453 0.093 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCO1 ZINC001273365697 946866177 /nfs/dbraw/zinc/86/61/77/946866177.db2.gz MDANXHHBZNEGTE-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC#CCOC)C2)C1)[NH+](C)C ZINC001323860393 947232950 /nfs/dbraw/zinc/23/29/50/947232950.db2.gz QQMXINVJGPWPMN-FUHWJXTLSA-N 2 1 321.465 0.901 20 30 DCEDMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001261552380 947348490 /nfs/dbraw/zinc/34/84/90/947348490.db2.gz QISRCFUMDWEGES-OLZOCXBDSA-N 2 1 304.398 0.304 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001325102979 947654990 /nfs/dbraw/zinc/65/49/90/947654990.db2.gz WLWNEILOQKJECD-MRXNPFEDSA-N 2 1 306.410 0.862 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001325138650 947675835 /nfs/dbraw/zinc/67/58/35/947675835.db2.gz VBQDXWYWWQWWJY-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179538689 947866459 /nfs/dbraw/zinc/86/64/59/947866459.db2.gz GVXGVOQLXHFCPX-ILXRZTDVSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001328049994 948697169 /nfs/dbraw/zinc/69/71/69/948697169.db2.gz KDYSPSLODBVLRO-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001328049994 948697173 /nfs/dbraw/zinc/69/71/73/948697173.db2.gz KDYSPSLODBVLRO-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cnc1C ZINC001328784444 949092640 /nfs/dbraw/zinc/09/26/40/949092640.db2.gz CKPOIHXGWOERHO-OAHLLOKOSA-N 2 1 318.421 0.833 20 30 DCEDMP COCC#CCN(C)C[C@H]1CCCN1C(=O)Cc1[nH]cnc1C ZINC001328784444 949092660 /nfs/dbraw/zinc/09/26/60/949092660.db2.gz CKPOIHXGWOERHO-OAHLLOKOSA-N 2 1 318.421 0.833 20 30 DCEDMP C=CCOCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265258032 949500086 /nfs/dbraw/zinc/50/00/86/949500086.db2.gz WIOALRSXXCQZLD-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001265258503 949510465 /nfs/dbraw/zinc/51/04/65/949510465.db2.gz KIOBIGHJUMHYQN-MRXNPFEDSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001265258503 949510483 /nfs/dbraw/zinc/51/04/83/949510483.db2.gz KIOBIGHJUMHYQN-MRXNPFEDSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001265543221 949755982 /nfs/dbraw/zinc/75/59/82/949755982.db2.gz HDCTUXHDPKSNGJ-WCVJEAGWSA-N 2 1 307.438 0.482 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001265543221 949755997 /nfs/dbraw/zinc/75/59/97/949755997.db2.gz HDCTUXHDPKSNGJ-WCVJEAGWSA-N 2 1 307.438 0.482 20 30 DCEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001265561587 949767036 /nfs/dbraw/zinc/76/70/36/949767036.db2.gz AYVISSWFIOGUAZ-IYBDPMFKSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001265596770 949805589 /nfs/dbraw/zinc/80/55/89/949805589.db2.gz KAAAIFRUMMPIIB-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265596770 949805612 /nfs/dbraw/zinc/80/56/12/949805612.db2.gz KAAAIFRUMMPIIB-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265596770 949805636 /nfs/dbraw/zinc/80/56/36/949805636.db2.gz KAAAIFRUMMPIIB-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CCN1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001330072230 950103496 /nfs/dbraw/zinc/10/34/96/950103496.db2.gz RZWRNBMHUQUUPF-GJZGRUSLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001330072230 950103508 /nfs/dbraw/zinc/10/35/08/950103508.db2.gz RZWRNBMHUQUUPF-GJZGRUSLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001330072230 950103523 /nfs/dbraw/zinc/10/35/23/950103523.db2.gz RZWRNBMHUQUUPF-GJZGRUSLSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001490242127 950450334 /nfs/dbraw/zinc/45/03/34/950450334.db2.gz LIXCHXYRIKEJTR-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001490242127 950450348 /nfs/dbraw/zinc/45/03/48/950450348.db2.gz LIXCHXYRIKEJTR-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001490242127 950450358 /nfs/dbraw/zinc/45/03/58/950450358.db2.gz LIXCHXYRIKEJTR-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001490456707 950759459 /nfs/dbraw/zinc/75/94/59/950759459.db2.gz RYMMGTSNMANYMD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001490456707 950759466 /nfs/dbraw/zinc/75/94/66/950759466.db2.gz RYMMGTSNMANYMD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001490456707 950759468 /nfs/dbraw/zinc/75/94/68/950759468.db2.gz RYMMGTSNMANYMD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001490456707 950759475 /nfs/dbraw/zinc/75/94/75/950759475.db2.gz RYMMGTSNMANYMD-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=C)C)C1 ZINC001280595363 950973126 /nfs/dbraw/zinc/97/31/26/950973126.db2.gz JUQHJTMTZJQETR-CVEARBPZSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=C)C)C1 ZINC001280595363 950973137 /nfs/dbraw/zinc/97/31/37/950973137.db2.gz JUQHJTMTZJQETR-CVEARBPZSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCO1 ZINC001280631870 951006767 /nfs/dbraw/zinc/00/67/67/951006767.db2.gz ZEUATJWYFVJSRH-GDBMZVCRSA-N 2 1 316.405 0.204 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCO1 ZINC001280631871 951009478 /nfs/dbraw/zinc/00/94/78/951009478.db2.gz ZEUATJWYFVJSRH-GOEBONIOSA-N 2 1 316.405 0.204 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001281587286 951551351 /nfs/dbraw/zinc/55/13/51/951551351.db2.gz RKRMRADELIUTMK-UHFFFAOYSA-N 2 1 320.481 0.877 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCF ZINC001332634554 951734720 /nfs/dbraw/zinc/73/47/20/951734720.db2.gz YQPPLTZOCVBFFJ-CABCVRRESA-N 2 1 313.417 0.195 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCF ZINC001332634554 951734725 /nfs/dbraw/zinc/73/47/25/951734725.db2.gz YQPPLTZOCVBFFJ-CABCVRRESA-N 2 1 313.417 0.195 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCCF ZINC001332634554 951734731 /nfs/dbraw/zinc/73/47/31/951734731.db2.gz YQPPLTZOCVBFFJ-CABCVRRESA-N 2 1 313.417 0.195 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCCF ZINC001332634554 951734743 /nfs/dbraw/zinc/73/47/43/951734743.db2.gz YQPPLTZOCVBFFJ-CABCVRRESA-N 2 1 313.417 0.195 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001332665468 951755151 /nfs/dbraw/zinc/75/51/51/951755151.db2.gz SPSVTHSDDOLMOV-JKSUJKDBSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001332665468 951755157 /nfs/dbraw/zinc/75/51/57/951755157.db2.gz SPSVTHSDDOLMOV-JKSUJKDBSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001332665468 951755164 /nfs/dbraw/zinc/75/51/64/951755164.db2.gz SPSVTHSDDOLMOV-JKSUJKDBSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001333005941 951880397 /nfs/dbraw/zinc/88/03/97/951880397.db2.gz YKBLHIAXZNYZKE-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001275680387 952376583 /nfs/dbraw/zinc/37/65/83/952376583.db2.gz MHEWMVLIKVLWHF-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001275680387 952376589 /nfs/dbraw/zinc/37/65/89/952376589.db2.gz MHEWMVLIKVLWHF-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001335439134 952537639 /nfs/dbraw/zinc/53/76/39/952537639.db2.gz ATSLRANFLNRAHZ-MRXNPFEDSA-N 2 1 310.438 0.356 20 30 DCEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343474303 953348717 /nfs/dbraw/zinc/34/87/17/953348717.db2.gz UVAFAOIYIMDVIV-ZNMIVQPWSA-N 2 1 308.426 0.455 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001282716600 953659683 /nfs/dbraw/zinc/65/96/83/953659683.db2.gz LNBSFSMIJXUPPS-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001282716600 953659689 /nfs/dbraw/zinc/65/96/89/953659689.db2.gz LNBSFSMIJXUPPS-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCOC)C1 ZINC001283051407 953957905 /nfs/dbraw/zinc/95/79/05/953957905.db2.gz JRIPVERHEMNSQC-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCOC)C1 ZINC001283051407 953957912 /nfs/dbraw/zinc/95/79/12/953957912.db2.gz JRIPVERHEMNSQC-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001283818511 954632775 /nfs/dbraw/zinc/63/27/75/954632775.db2.gz QDGPIVKVJWPHIH-QGZVFWFLSA-N 2 1 317.433 0.447 20 30 DCEDMP C[N@H+]1CCC[C@@H](N2CCN(C[C@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359261 962955599 /nfs/dbraw/zinc/95/55/99/962955599.db2.gz SAWZNEVDDOHNRV-HZPDHXFCSA-N 2 1 306.454 0.753 20 30 DCEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359261 962955617 /nfs/dbraw/zinc/95/56/17/962955617.db2.gz SAWZNEVDDOHNRV-HZPDHXFCSA-N 2 1 306.454 0.753 20 30 DCEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359261 962955631 /nfs/dbraw/zinc/95/56/31/962955631.db2.gz SAWZNEVDDOHNRV-HZPDHXFCSA-N 2 1 306.454 0.753 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001447815020 1013562542 /nfs/dbraw/zinc/56/25/42/1013562542.db2.gz FRCTWGALJYORCA-UHFFFAOYSA-N 2 1 315.845 0.946 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001370284335 965962100 /nfs/dbraw/zinc/96/21/00/965962100.db2.gz UVTNEZBHSTYCFR-ZIAGYGMSSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001370284335 965962112 /nfs/dbraw/zinc/96/21/12/965962112.db2.gz UVTNEZBHSTYCFR-ZIAGYGMSSA-N 2 1 315.845 0.944 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001526607949 1015310626 /nfs/dbraw/zinc/31/06/26/1015310626.db2.gz MBGNYVJLJZOWAK-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001526607949 1015310634 /nfs/dbraw/zinc/31/06/34/1015310634.db2.gz MBGNYVJLJZOWAK-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001502598108 1015991055 /nfs/dbraw/zinc/99/10/55/1015991055.db2.gz SNFSEJIGELIIHE-ROUUACIJSA-N 2 1 321.465 0.992 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCCC1 ZINC001507205955 1016121930 /nfs/dbraw/zinc/12/19/30/1016121930.db2.gz WVFTVWTVHRSYIX-CVEARBPZSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CCCC1 ZINC001507205955 1016121933 /nfs/dbraw/zinc/12/19/33/1016121933.db2.gz WVFTVWTVHRSYIX-CVEARBPZSA-N 2 1 307.438 0.341 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001505446592 1016249112 /nfs/dbraw/zinc/24/91/12/1016249112.db2.gz OKMSDINVZQZTCP-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001505446592 1016249121 /nfs/dbraw/zinc/24/91/21/1016249121.db2.gz OKMSDINVZQZTCP-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001505446592 1016249124 /nfs/dbraw/zinc/24/91/24/1016249124.db2.gz OKMSDINVZQZTCP-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001402611943 1001439879 /nfs/dbraw/zinc/43/98/79/1001439879.db2.gz XPMAOOWRBVPKAQ-OCCSQVGLSA-N 2 1 315.845 0.898 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CC#CC)CC1 ZINC001507726064 1016550731 /nfs/dbraw/zinc/55/07/31/1016550731.db2.gz DEBSPWLUEDRJIF-QGZVFWFLSA-N 2 1 319.449 0.106 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001507727946 1016558618 /nfs/dbraw/zinc/55/86/18/1016558618.db2.gz LEKBOJLCBYZUDZ-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001507727946 1016558628 /nfs/dbraw/zinc/55/86/28/1016558628.db2.gz LEKBOJLCBYZUDZ-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001507727946 1016558639 /nfs/dbraw/zinc/55/86/39/1016558639.db2.gz LEKBOJLCBYZUDZ-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCOC(C)C ZINC001505937759 1016739032 /nfs/dbraw/zinc/73/90/32/1016739032.db2.gz LNZGEYPIFOIZRI-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCOC(C)C ZINC001505937759 1016739044 /nfs/dbraw/zinc/73/90/44/1016739044.db2.gz LNZGEYPIFOIZRI-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCOC(C)C ZINC001505937759 1016739054 /nfs/dbraw/zinc/73/90/54/1016739054.db2.gz LNZGEYPIFOIZRI-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCOC(C)C ZINC001505937759 1016739059 /nfs/dbraw/zinc/73/90/59/1016739059.db2.gz LNZGEYPIFOIZRI-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001406289268 1003573478 /nfs/dbraw/zinc/57/34/78/1003573478.db2.gz MRMNUJAGMGXJIO-HOTGVXAUSA-N 2 1 316.405 0.077 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001422342646 1009913657 /nfs/dbraw/zinc/91/36/57/1009913657.db2.gz OJZIINDBQUVQID-ZIAGYGMSSA-N 2 1 317.861 0.928 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001423247279 1011015367 /nfs/dbraw/zinc/01/53/67/1011015367.db2.gz BXACRCBJAZUCIF-AVGNSLFASA-N 2 1 303.834 0.536 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001423247279 1011015371 /nfs/dbraw/zinc/01/53/71/1011015371.db2.gz BXACRCBJAZUCIF-AVGNSLFASA-N 2 1 303.834 0.536 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001445983304 1012481127 /nfs/dbraw/zinc/48/11/27/1012481127.db2.gz CJUIHLIMOZEZDL-ZIAGYGMSSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001445983304 1012481131 /nfs/dbraw/zinc/48/11/31/1012481131.db2.gz CJUIHLIMOZEZDL-ZIAGYGMSSA-N 2 1 315.845 0.944 20 30 DCEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548703923 1013001326 /nfs/dbraw/zinc/00/13/26/1013001326.db2.gz WIWUVLAQPVPNJN-ZBFHGGJFSA-N 2 1 306.454 0.531 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001479654687 1017631211 /nfs/dbraw/zinc/63/12/11/1017631211.db2.gz NPGLGFPHLFLITM-INIZCTEOSA-N 2 1 319.449 0.533 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001479812985 1017814998 /nfs/dbraw/zinc/81/49/98/1017814998.db2.gz VPRAYZQBJWPJRE-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001479938503 1018007248 /nfs/dbraw/zinc/00/72/48/1018007248.db2.gz CKBZGNGGJSCYES-KRWDZBQOSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001479938503 1018007261 /nfs/dbraw/zinc/00/72/61/1018007261.db2.gz CKBZGNGGJSCYES-KRWDZBQOSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001499857822 1018105683 /nfs/dbraw/zinc/10/56/83/1018105683.db2.gz NYZVZRTXHCKXNJ-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCOC)CC1 ZINC001500054560 1018191258 /nfs/dbraw/zinc/19/12/58/1018191258.db2.gz QPEJDFXDSUXFGD-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001497766215 1018397462 /nfs/dbraw/zinc/39/74/62/1018397462.db2.gz UKUXVMLGPMZIBF-KJPDOMRESA-N 2 1 307.438 0.773 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001495264399 1018431614 /nfs/dbraw/zinc/43/16/14/1018431614.db2.gz CURAKRPUOZMVJU-FUHWJXTLSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001495480555 1018532164 /nfs/dbraw/zinc/53/21/64/1018532164.db2.gz XUMZDCULUCFQDU-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C(C)C ZINC001498054604 1018617354 /nfs/dbraw/zinc/61/73/54/1018617354.db2.gz AFLQMLXSNLGXOW-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C(C)C ZINC001498054604 1018617357 /nfs/dbraw/zinc/61/73/57/1018617357.db2.gz AFLQMLXSNLGXOW-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001480624493 1018718432 /nfs/dbraw/zinc/71/84/32/1018718432.db2.gz APQJQEIBUZEAQY-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001502072979 1019687219 /nfs/dbraw/zinc/68/72/19/1019687219.db2.gz XSTMHILHHVQFBP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NC(=O)CC[NH+](C)C ZINC001499169359 1019819229 /nfs/dbraw/zinc/81/92/29/1019819229.db2.gz RUOFNACORFFTEN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NC(=O)CC[NH+](C)C ZINC001499169359 1019819242 /nfs/dbraw/zinc/81/92/42/1019819242.db2.gz RUOFNACORFFTEN-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCC(C)(C)C ZINC001496999646 1019901033 /nfs/dbraw/zinc/90/10/33/1019901033.db2.gz WWVIGEXKLHIBLP-CABCVRRESA-N 2 1 309.454 0.587 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCC(C)(C)C ZINC001496999646 1019901039 /nfs/dbraw/zinc/90/10/39/1019901039.db2.gz WWVIGEXKLHIBLP-CABCVRRESA-N 2 1 309.454 0.587 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001494179244 1020049989 /nfs/dbraw/zinc/04/99/89/1020049989.db2.gz CSDKRCUBXSBDIE-SJORKVTESA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001494214113 1020081785 /nfs/dbraw/zinc/08/17/85/1020081785.db2.gz RTPIVUBBEXXQRX-INIZCTEOSA-N 2 1 321.465 0.758 20 30 DCEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273038238 238286644 /nfs/dbraw/zinc/28/66/44/238286644.db2.gz ZCQGMLKYSHIBCE-CJNGLKHVSA-N 2 1 320.437 0.692 20 30 DCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCc2ccccc21 ZINC000088637787 395708131 /nfs/dbraw/zinc/70/81/31/395708131.db2.gz WBOAMMVRZMZIOZ-OAHLLOKOSA-N 2 1 301.438 0.870 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC3(CCOCC3)[C@@H]2C)CC1 ZINC000490935289 397498982 /nfs/dbraw/zinc/49/89/82/397498982.db2.gz MDMTZYGLZXKTMP-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000343774407 415719517 /nfs/dbraw/zinc/71/95/17/415719517.db2.gz XFNHXADRSJRDIL-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP N#Cc1ccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)o1 ZINC000344355680 415897711 /nfs/dbraw/zinc/89/77/11/415897711.db2.gz UFFUYEMCQJPPIX-UHFFFAOYSA-N 2 1 306.410 0.631 20 30 DCEDMP CC1(C)[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)[C@@H]2CCO[C@@H]21 ZINC000304748697 416103162 /nfs/dbraw/zinc/10/31/62/416103162.db2.gz HHEMIZLDGZOIGW-MJBXVCDLSA-N 2 1 310.442 0.427 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000305242423 416103888 /nfs/dbraw/zinc/10/38/88/416103888.db2.gz AWCAEHLBBUAQQQ-RBSFLKMASA-N 2 1 322.453 0.571 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000187014990 416258661 /nfs/dbraw/zinc/25/86/61/416258661.db2.gz FQNVKRWHDDNGJM-OWCLPIDISA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000187014990 416258665 /nfs/dbraw/zinc/25/86/65/416258665.db2.gz FQNVKRWHDDNGJM-OWCLPIDISA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000491709818 416618334 /nfs/dbraw/zinc/61/83/34/416618334.db2.gz XINAWWKCQVLFPM-HZPDHXFCSA-N 2 1 306.454 0.973 20 30 DCEDMP CC#CC[C@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000641769338 416994728 /nfs/dbraw/zinc/99/47/28/416994728.db2.gz TUHFTWMAMWRHET-OAHLLOKOSA-N 2 1 303.410 0.092 20 30 DCEDMP C=CC[C@@]1(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CCC[NH2+]1 ZINC000662681349 417850079 /nfs/dbraw/zinc/85/00/79/417850079.db2.gz FRRMVPAGGFZKTE-INIZCTEOSA-N 2 1 308.426 0.011 20 30 DCEDMP C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662168152 418386522 /nfs/dbraw/zinc/38/65/22/418386522.db2.gz UWFILAPKBMMEDZ-USXIJHARSA-N 2 1 317.433 0.902 20 30 DCEDMP C=CCOc1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000564668760 332283883 /nfs/dbraw/zinc/28/38/83/332283883.db2.gz XAVYFMSROJSYSD-ZBFHGGJFSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000564668760 332283885 /nfs/dbraw/zinc/28/38/85/332283885.db2.gz XAVYFMSROJSYSD-ZBFHGGJFSA-N 2 1 301.390 0.995 20 30 DCEDMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000330165944 336119870 /nfs/dbraw/zinc/11/98/70/336119870.db2.gz XMTBPRCTRAKZLE-AWEZNQCLSA-N 2 1 324.469 0.773 20 30 DCEDMP C[NH+](CCO)C1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000330165944 336119871 /nfs/dbraw/zinc/11/98/71/336119871.db2.gz XMTBPRCTRAKZLE-AWEZNQCLSA-N 2 1 324.469 0.773 20 30 DCEDMP C[NH+](CCO)C1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000330165944 336119872 /nfs/dbraw/zinc/11/98/72/336119872.db2.gz XMTBPRCTRAKZLE-AWEZNQCLSA-N 2 1 324.469 0.773 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001567721022 1160464933 /nfs/dbraw/zinc/46/49/33/1160464933.db2.gz SIVIWTTVKSWMKN-INIZCTEOSA-N 2 1 306.454 0.037 20 30 DCEDMP C[NH+]=C(NCCCn1cc[nH+]c1C)NCCN1CCOCC1 ZINC000264978216 526354534 /nfs/dbraw/zinc/35/45/34/526354534.db2.gz JNRKCMZTSPUDKA-UHFFFAOYSA-N 2 1 308.430 0.079 20 30 DCEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262822659 526378757 /nfs/dbraw/zinc/37/87/57/526378757.db2.gz XMIBOIMDJBPCJB-LRDDRELGSA-N 2 1 306.410 0.889 20 30 DCEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262822659 526378765 /nfs/dbraw/zinc/37/87/65/526378765.db2.gz XMIBOIMDJBPCJB-LRDDRELGSA-N 2 1 306.410 0.889 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262326553 526382838 /nfs/dbraw/zinc/38/28/38/526382838.db2.gz ACARMELIEWXIPK-JTQLQIEISA-N 2 1 305.382 0.280 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262326553 526382842 /nfs/dbraw/zinc/38/28/42/526382842.db2.gz ACARMELIEWXIPK-JTQLQIEISA-N 2 1 305.382 0.280 20 30 DCEDMP C=C(Cl)CNC(=[NH+]C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261842425 526884664 /nfs/dbraw/zinc/88/46/64/526884664.db2.gz WKBJLPVMBRXCKB-CYBMUJFWSA-N 2 1 300.834 0.968 20 30 DCEDMP CC[NH+]=C(NCc1cnn(C)c1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261968320 528818585 /nfs/dbraw/zinc/81/85/85/528818585.db2.gz MBAWRASRTTUGDQ-IUODEOHRSA-N 2 1 304.442 0.958 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn(CCOC)c1 ZINC000283762077 529100936 /nfs/dbraw/zinc/10/09/36/529100936.db2.gz HWIZZPPATPNQRD-AWEZNQCLSA-N 2 1 308.430 0.418 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C(C)C ZINC001667468102 1174684504 /nfs/dbraw/zinc/68/45/04/1174684504.db2.gz GXTPZQXWXJAVQZ-IRXDYDNUSA-N 2 1 319.449 0.464 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C(C)C ZINC001667468102 1174684507 /nfs/dbraw/zinc/68/45/07/1174684507.db2.gz GXTPZQXWXJAVQZ-IRXDYDNUSA-N 2 1 319.449 0.464 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC000978646543 660580125 /nfs/dbraw/zinc/58/01/25/660580125.db2.gz YBUIZAPMIUCSFM-QKDCVEJESA-N 2 1 301.390 0.882 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)C[C@H](C)O)C2)CC1 ZINC001027693568 660626150 /nfs/dbraw/zinc/62/61/50/660626150.db2.gz GAGXEKWZSJXFSF-DOTOQJQBSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC=C)C[C@H]32)CC1 ZINC000979100151 660661918 /nfs/dbraw/zinc/66/19/18/660661918.db2.gz IIOFDQLGSWWPHS-OSYLJGHBSA-N 2 1 301.434 0.812 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969403400 657812211 /nfs/dbraw/zinc/81/22/11/657812211.db2.gz HVBHDJMEGLDLJL-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001023447343 657874769 /nfs/dbraw/zinc/87/47/69/657874769.db2.gz LMSLBWAANCUEGI-CABCVRRESA-N 2 1 300.406 0.907 20 30 DCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968818 658103752 /nfs/dbraw/zinc/10/37/52/658103752.db2.gz IEVPDLMHHJRMKX-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971968818 658103756 /nfs/dbraw/zinc/10/37/56/658103756.db2.gz IEVPDLMHHJRMKX-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971968818 658103760 /nfs/dbraw/zinc/10/37/60/658103760.db2.gz IEVPDLMHHJRMKX-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970168514 658683928 /nfs/dbraw/zinc/68/39/28/658683928.db2.gz BYNHUJXMJMCWLC-KDWRMLKXSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970191016 658717280 /nfs/dbraw/zinc/71/72/80/658717280.db2.gz PVLWLHKHTJQNLO-KDWRMLKXSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970325312 658863727 /nfs/dbraw/zinc/86/37/27/658863727.db2.gz DBIVVCWPPVMVJV-HOCLYGCPSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970325312 658863728 /nfs/dbraw/zinc/86/37/28/658863728.db2.gz DBIVVCWPPVMVJV-HOCLYGCPSA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000977635288 659791781 /nfs/dbraw/zinc/79/17/81/659791781.db2.gz AJCFZGRWJNHIOM-GOEBONIOSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982652114 661615639 /nfs/dbraw/zinc/61/56/39/661615639.db2.gz QXUHFWNRWCIYCQ-HDICACEKSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982652114 661615641 /nfs/dbraw/zinc/61/56/41/661615641.db2.gz QXUHFWNRWCIYCQ-HDICACEKSA-N 2 1 319.449 0.512 20 30 DCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000262023250 661965072 /nfs/dbraw/zinc/96/50/72/661965072.db2.gz ZGETVGHRBQTPQD-QGZVFWFLSA-N 2 1 323.485 0.312 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000894863883 662020641 /nfs/dbraw/zinc/02/06/41/662020641.db2.gz ZVHGAVPHGRIZOX-UHFFFAOYSA-N 2 1 315.483 0.782 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000894863883 662020643 /nfs/dbraw/zinc/02/06/43/662020643.db2.gz ZVHGAVPHGRIZOX-UHFFFAOYSA-N 2 1 315.483 0.782 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000896487814 662274240 /nfs/dbraw/zinc/27/42/40/662274240.db2.gz DIGBQOSDVVVPNY-HNNXBMFYSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000896487814 662274241 /nfs/dbraw/zinc/27/42/41/662274241.db2.gz DIGBQOSDVVVPNY-HNNXBMFYSA-N 2 1 304.438 0.964 20 30 DCEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040135697 662508194 /nfs/dbraw/zinc/50/81/94/662508194.db2.gz ATFWFNZEWPRVLR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040135697 662508195 /nfs/dbraw/zinc/50/81/95/662508195.db2.gz ATFWFNZEWPRVLR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040135697 662508197 /nfs/dbraw/zinc/50/81/97/662508197.db2.gz ATFWFNZEWPRVLR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040135697 662508199 /nfs/dbraw/zinc/50/81/99/662508199.db2.gz ATFWFNZEWPRVLR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989193114 662889821 /nfs/dbraw/zinc/88/98/21/662889821.db2.gz IQOUIJDLCJDLJJ-UONOGXRCSA-N 2 1 300.406 0.974 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941230253 665950611 /nfs/dbraw/zinc/95/06/11/665950611.db2.gz GWYKIMORFINXAP-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941230253 665950612 /nfs/dbraw/zinc/95/06/12/665950612.db2.gz GWYKIMORFINXAP-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230253 665950613 /nfs/dbraw/zinc/95/06/13/665950613.db2.gz GWYKIMORFINXAP-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230253 665950614 /nfs/dbraw/zinc/95/06/14/665950614.db2.gz GWYKIMORFINXAP-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1=O ZINC000903912325 663495184 /nfs/dbraw/zinc/49/51/84/663495184.db2.gz DCMXBHLRVNMNKQ-ZBFHGGJFSA-N 2 1 319.453 0.565 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1=O ZINC000903912325 663495187 /nfs/dbraw/zinc/49/51/87/663495187.db2.gz DCMXBHLRVNMNKQ-ZBFHGGJFSA-N 2 1 319.453 0.565 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000911735516 664104417 /nfs/dbraw/zinc/10/44/17/664104417.db2.gz JTBWWXCEULPHAH-UHFFFAOYSA-N 2 1 315.373 0.757 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000730277517 664674618 /nfs/dbraw/zinc/67/46/18/664674618.db2.gz CJIIUCOMUQIRCY-KRWDZBQOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000730277517 664674619 /nfs/dbraw/zinc/67/46/19/664674619.db2.gz CJIIUCOMUQIRCY-KRWDZBQOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992488880 664726560 /nfs/dbraw/zinc/72/65/60/664726560.db2.gz BKIORTAMOCNQQH-YQQAZPJKSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992488880 664726561 /nfs/dbraw/zinc/72/65/61/664726561.db2.gz BKIORTAMOCNQQH-YQQAZPJKSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992488880 664726562 /nfs/dbraw/zinc/72/65/62/664726562.db2.gz BKIORTAMOCNQQH-YQQAZPJKSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992488880 664726563 /nfs/dbraw/zinc/72/65/63/664726563.db2.gz BKIORTAMOCNQQH-YQQAZPJKSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993987182 665023083 /nfs/dbraw/zinc/02/30/83/665023083.db2.gz MALVSSURRLZVLG-HOCLYGCPSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993987182 665023086 /nfs/dbraw/zinc/02/30/86/665023086.db2.gz MALVSSURRLZVLG-HOCLYGCPSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+](C)CCCNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000915905959 665053345 /nfs/dbraw/zinc/05/33/45/665053345.db2.gz YCGNUKKMNMHITE-HNNXBMFYSA-N 2 1 313.467 0.347 20 30 DCEDMP C#CC[NH+](C)CCCNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000915905959 665053347 /nfs/dbraw/zinc/05/33/47/665053347.db2.gz YCGNUKKMNMHITE-HNNXBMFYSA-N 2 1 313.467 0.347 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)CC1 ZINC001031434804 665149191 /nfs/dbraw/zinc/14/91/91/665149191.db2.gz FVXLKDLIQNLLSP-HNNXBMFYSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCN(C(=O)NC[C@H]1C[N@H+](CC)CCO1)C1CC[NH+](C)CC1 ZINC000919127999 665198472 /nfs/dbraw/zinc/19/84/72/665198472.db2.gz UKCCVOAJMOZYRQ-INIZCTEOSA-N 2 1 322.453 0.446 20 30 DCEDMP C#CCN(C(=O)NC[C@H]1C[N@@H+](CC)CCO1)C1CC[NH+](C)CC1 ZINC000919127999 665198474 /nfs/dbraw/zinc/19/84/74/665198474.db2.gz UKCCVOAJMOZYRQ-INIZCTEOSA-N 2 1 322.453 0.446 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941567354 666020358 /nfs/dbraw/zinc/02/03/58/666020358.db2.gz RROZPRJAAUWHQR-INIZCTEOSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941567354 666020359 /nfs/dbraw/zinc/02/03/59/666020359.db2.gz RROZPRJAAUWHQR-INIZCTEOSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001423521 666050599 /nfs/dbraw/zinc/05/05/99/666050599.db2.gz BRQKTKITCFBSIY-HZPDHXFCSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCCO)CC2)CC1 ZINC001001471497 666056572 /nfs/dbraw/zinc/05/65/72/666056572.db2.gz JILIICNFHZFNNM-UHFFFAOYSA-N 2 1 319.449 0.462 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]([C@@H](C)COC)C1CC1 ZINC001691213213 1157613110 /nfs/dbraw/zinc/61/31/10/1157613110.db2.gz PEHWGNBGAGOESC-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]([C@@H](C)COC)C1CC1 ZINC001691213213 1157613112 /nfs/dbraw/zinc/61/31/12/1157613112.db2.gz PEHWGNBGAGOESC-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@@H](C)COC)C1CC1 ZINC001691213213 1157613116 /nfs/dbraw/zinc/61/31/16/1157613116.db2.gz PEHWGNBGAGOESC-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@@H](C)COC)C1CC1 ZINC001691213213 1157613117 /nfs/dbraw/zinc/61/31/17/1157613117.db2.gz PEHWGNBGAGOESC-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278158 666658880 /nfs/dbraw/zinc/65/88/80/666658880.db2.gz MUUOTPWQQQLONS-GWUWNPHMSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278158 666658882 /nfs/dbraw/zinc/65/88/82/666658882.db2.gz MUUOTPWQQQLONS-GWUWNPHMSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278158 666658885 /nfs/dbraw/zinc/65/88/85/666658885.db2.gz MUUOTPWQQQLONS-GWUWNPHMSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278158 666658887 /nfs/dbraw/zinc/65/88/87/666658887.db2.gz MUUOTPWQQQLONS-GWUWNPHMSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033839562 666841971 /nfs/dbraw/zinc/84/19/71/666841971.db2.gz XRDGLOFIUCTCHU-HNNXBMFYSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033839562 666841972 /nfs/dbraw/zinc/84/19/72/666841972.db2.gz XRDGLOFIUCTCHU-HNNXBMFYSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000996811767 666917913 /nfs/dbraw/zinc/91/79/13/666917913.db2.gz JBXURCVXUXVLHB-GNHJJJEISA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034535991 667062843 /nfs/dbraw/zinc/06/28/43/667062843.db2.gz WXBQMMQNJYGRIN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535991 667062853 /nfs/dbraw/zinc/06/28/53/667062853.db2.gz WXBQMMQNJYGRIN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535991 667062857 /nfs/dbraw/zinc/06/28/57/667062857.db2.gz WXBQMMQNJYGRIN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535991 667062859 /nfs/dbraw/zinc/06/28/59/667062859.db2.gz WXBQMMQNJYGRIN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005742238 667179496 /nfs/dbraw/zinc/17/94/96/667179496.db2.gz PNQSUOSNNYRQPM-BFHRDPOASA-N 2 1 319.449 0.958 20 30 DCEDMP CC[NH+]=C(NC[C@@H](O)C(F)(F)F)NC[C@H]1CCC[N@H+]1CC ZINC000864236616 667226025 /nfs/dbraw/zinc/22/60/25/667226025.db2.gz RDAOTYAASZVGOT-GHMZBOCLSA-N 2 1 310.364 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000884217780 667501799 /nfs/dbraw/zinc/50/17/99/667501799.db2.gz WIJKKEYGFQSVPW-OFQRWUPVSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000884217780 667501802 /nfs/dbraw/zinc/50/18/02/667501802.db2.gz WIJKKEYGFQSVPW-OFQRWUPVSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000884217780 667501803 /nfs/dbraw/zinc/50/18/03/667501803.db2.gz WIJKKEYGFQSVPW-OFQRWUPVSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000884217780 667501806 /nfs/dbraw/zinc/50/18/06/667501806.db2.gz WIJKKEYGFQSVPW-OFQRWUPVSA-N 2 1 304.438 0.866 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377845 667520559 /nfs/dbraw/zinc/52/05/59/667520559.db2.gz PZJHCGXXLGYGEW-HRCADAONSA-N 2 1 322.453 0.534 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)/C=C(/C)CN2CCOCC2)C1 ZINC000923557631 667563486 /nfs/dbraw/zinc/56/34/86/667563486.db2.gz MCFYUPAWYDBIJH-RTYFKUQISA-N 2 1 305.422 0.479 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000886580040 667778572 /nfs/dbraw/zinc/77/85/72/667778572.db2.gz SNJRLVXGHUPPEE-OAHLLOKOSA-N 2 1 309.479 0.980 20 30 DCEDMP C#CCOCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000755832035 668067646 /nfs/dbraw/zinc/06/76/46/668067646.db2.gz KUSQRSHMTNUSCM-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000890370986 668123897 /nfs/dbraw/zinc/12/38/97/668123897.db2.gz JXKPHBMAISZGIL-XHSDSOJGSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000890370986 668123899 /nfs/dbraw/zinc/12/38/99/668123899.db2.gz JXKPHBMAISZGIL-XHSDSOJGSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000890370986 668123902 /nfs/dbraw/zinc/12/39/02/668123902.db2.gz JXKPHBMAISZGIL-XHSDSOJGSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000890370986 668123905 /nfs/dbraw/zinc/12/39/05/668123905.db2.gz JXKPHBMAISZGIL-XHSDSOJGSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762615222 668369388 /nfs/dbraw/zinc/36/93/88/668369388.db2.gz SCPMQMFWUQNTAM-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000762615222 668369393 /nfs/dbraw/zinc/36/93/93/668369393.db2.gz SCPMQMFWUQNTAM-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000762615222 668369398 /nfs/dbraw/zinc/36/93/98/668369398.db2.gz SCPMQMFWUQNTAM-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000762615222 668369401 /nfs/dbraw/zinc/36/94/01/668369401.db2.gz SCPMQMFWUQNTAM-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772985505 668790926 /nfs/dbraw/zinc/79/09/26/668790926.db2.gz SFNAWNZKCSFNJW-SAFUZZNQSA-N 2 1 306.410 0.833 20 30 DCEDMP CCOCCC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000130619219 669632746 /nfs/dbraw/zinc/63/27/46/669632746.db2.gz LFEIQGBCXWBJTO-UHFFFAOYSA-N 2 1 312.458 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000948448511 670115725 /nfs/dbraw/zinc/11/57/25/670115725.db2.gz DSBGSINMTAFDIJ-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000948448511 670115728 /nfs/dbraw/zinc/11/57/28/670115728.db2.gz DSBGSINMTAFDIJ-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCCO)CC1 ZINC000948448511 670115731 /nfs/dbraw/zinc/11/57/31/670115731.db2.gz DSBGSINMTAFDIJ-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCCO)CC1 ZINC000948448511 670115734 /nfs/dbraw/zinc/11/57/34/670115734.db2.gz DSBGSINMTAFDIJ-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1 ZINC001020250992 693746132 /nfs/dbraw/zinc/74/61/32/693746132.db2.gz ZGYLESYMEQOKGQ-ULQDDVLXSA-N 2 1 312.417 0.916 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1 ZINC001020250992 693746136 /nfs/dbraw/zinc/74/61/36/693746136.db2.gz ZGYLESYMEQOKGQ-ULQDDVLXSA-N 2 1 312.417 0.916 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000303769875 685206035 /nfs/dbraw/zinc/20/60/35/685206035.db2.gz BHLKPNFACCEYFW-CABCVRRESA-N 2 1 312.458 0.961 20 30 DCEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303876150 685207362 /nfs/dbraw/zinc/20/73/62/685207362.db2.gz DRRFRBJIAGPJPY-UHFFFAOYSA-N 2 1 313.515 0.768 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303981582 685209917 /nfs/dbraw/zinc/20/99/17/685209917.db2.gz PHEXJGWILQSQKX-HUUCEWRRSA-N 3 1 310.490 0.011 20 30 DCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CCN(C)CC1 ZINC000303981582 685209924 /nfs/dbraw/zinc/20/99/24/685209924.db2.gz PHEXJGWILQSQKX-HUUCEWRRSA-N 2 1 310.490 0.011 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CCN(C)CC1 ZINC000303981582 685209929 /nfs/dbraw/zinc/20/99/29/685209929.db2.gz PHEXJGWILQSQKX-HUUCEWRRSA-N 2 1 310.490 0.011 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958345896 687566207 /nfs/dbraw/zinc/56/62/07/687566207.db2.gz UJUYPYONNVIUIA-LSDHHAIUSA-N 2 1 319.405 0.387 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038808950 694198228 /nfs/dbraw/zinc/19/82/28/694198228.db2.gz FWSNAZJFSISUDZ-HNNXBMFYSA-N 2 1 305.426 0.825 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038808950 694198231 /nfs/dbraw/zinc/19/82/31/694198231.db2.gz FWSNAZJFSISUDZ-HNNXBMFYSA-N 2 1 305.426 0.825 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC000960703430 688439553 /nfs/dbraw/zinc/43/95/53/688439553.db2.gz YWERTWXEJRZXFI-NHAGDIPZSA-N 2 1 304.394 0.972 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC000960703430 688439555 /nfs/dbraw/zinc/43/95/55/688439555.db2.gz YWERTWXEJRZXFI-NHAGDIPZSA-N 2 1 304.394 0.972 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279158 688586052 /nfs/dbraw/zinc/58/60/52/688586052.db2.gz HSRMTNQBGGJLGU-GTHOZQOVSA-N 2 1 317.433 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961279158 688586054 /nfs/dbraw/zinc/58/60/54/688586054.db2.gz HSRMTNQBGGJLGU-GTHOZQOVSA-N 2 1 317.433 0.472 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961279158 688586057 /nfs/dbraw/zinc/58/60/57/688586057.db2.gz HSRMTNQBGGJLGU-GTHOZQOVSA-N 2 1 317.433 0.472 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966170860 689665469 /nfs/dbraw/zinc/66/54/69/689665469.db2.gz YNQRVUBECFFYEI-ZBFHGGJFSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966170860 689665473 /nfs/dbraw/zinc/66/54/73/689665473.db2.gz YNQRVUBECFFYEI-ZBFHGGJFSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001018963198 693298733 /nfs/dbraw/zinc/29/87/33/693298733.db2.gz CYUWWHOOUDGBIB-HOCLYGCPSA-N 2 1 305.422 0.454 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605153 694750208 /nfs/dbraw/zinc/75/02/08/694750208.db2.gz BTMHCLUEBSHHLT-IRXDYDNUSA-N 2 1 319.449 0.559 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861308 694793604 /nfs/dbraw/zinc/79/36/04/694793604.db2.gz BKFMJILQDMORHR-HNNXBMFYSA-N 2 1 305.422 0.313 20 30 DCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073896738 694797835 /nfs/dbraw/zinc/79/78/35/694797835.db2.gz ZVARRDMYXQWJEQ-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896738 694797837 /nfs/dbraw/zinc/79/78/37/694797837.db2.gz ZVARRDMYXQWJEQ-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896738 694797838 /nfs/dbraw/zinc/79/78/38/694797838.db2.gz ZVARRDMYXQWJEQ-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896738 694797840 /nfs/dbraw/zinc/79/78/40/694797840.db2.gz ZVARRDMYXQWJEQ-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C(C)C)CCCO2)CC1 ZINC001073899069 694798680 /nfs/dbraw/zinc/79/86/80/694798680.db2.gz KONLYOBXERQSDL-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938718 694987658 /nfs/dbraw/zinc/98/76/58/694987658.db2.gz GWRRLKCXVQDSKH-QKPAOTATSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938718 694987659 /nfs/dbraw/zinc/98/76/59/694987659.db2.gz GWRRLKCXVQDSKH-QKPAOTATSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938718 694987660 /nfs/dbraw/zinc/98/76/60/694987660.db2.gz GWRRLKCXVQDSKH-QKPAOTATSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938718 694987661 /nfs/dbraw/zinc/98/76/61/694987661.db2.gz GWRRLKCXVQDSKH-QKPAOTATSA-N 2 1 305.422 0.262 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]32)CC1 ZINC001076604625 695032363 /nfs/dbraw/zinc/03/23/63/695032363.db2.gz OQOCWSSYZOUMIA-JKSUJKDBSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]32)CC1 ZINC001076604625 695032364 /nfs/dbraw/zinc/03/23/64/695032364.db2.gz OQOCWSSYZOUMIA-JKSUJKDBSA-N 2 1 307.413 0.834 20 30 DCEDMP C=CCCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001570426979 1162511837 /nfs/dbraw/zinc/51/18/37/1162511837.db2.gz FIIHESJPSGCSCR-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CCO)C(C)C ZINC001570774477 1162619295 /nfs/dbraw/zinc/61/92/95/1162619295.db2.gz GIBSOAVFLLGVJS-CVEARBPZSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CCO)C(C)C ZINC001570774477 1162619296 /nfs/dbraw/zinc/61/92/96/1162619296.db2.gz GIBSOAVFLLGVJS-CVEARBPZSA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001571587835 1162832701 /nfs/dbraw/zinc/83/27/01/1162832701.db2.gz QVXMGSQDXOOSOO-HOTGVXAUSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC001691000550 1157397143 /nfs/dbraw/zinc/39/71/43/1157397143.db2.gz KSYOIOCYQCOKOV-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001772519897 1157419194 /nfs/dbraw/zinc/41/91/94/1157419194.db2.gz SHFWYBBRHFVABV-XJKSGUPXSA-N 2 1 315.421 0.861 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001772519897 1157419199 /nfs/dbraw/zinc/41/91/99/1157419199.db2.gz SHFWYBBRHFVABV-XJKSGUPXSA-N 2 1 315.421 0.861 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001691933485 1157726640 /nfs/dbraw/zinc/72/66/40/1157726640.db2.gz HBQXQQZDEQNKJQ-QGZVFWFLSA-N 2 1 320.481 0.568 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001691933485 1157726645 /nfs/dbraw/zinc/72/66/45/1157726645.db2.gz HBQXQQZDEQNKJQ-QGZVFWFLSA-N 2 1 320.481 0.568 20 30 DCEDMP C=CCCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001672503303 1157957442 /nfs/dbraw/zinc/95/74/42/1157957442.db2.gz JNAZRKFGDBPZKB-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001672503303 1157957446 /nfs/dbraw/zinc/95/74/46/1157957446.db2.gz JNAZRKFGDBPZKB-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001672503303 1157957449 /nfs/dbraw/zinc/95/74/49/1157957449.db2.gz JNAZRKFGDBPZKB-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001248690125 1159136773 /nfs/dbraw/zinc/13/67/73/1159136773.db2.gz IJXPDVLPBJTWAI-ZIAGYGMSSA-N 2 1 310.467 0.430 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCOC)C1 ZINC001565898367 1159922951 /nfs/dbraw/zinc/92/29/51/1159922951.db2.gz VSGOZHSEMWLELY-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCOC)C1 ZINC001565898367 1159922958 /nfs/dbraw/zinc/92/29/58/1159922958.db2.gz VSGOZHSEMWLELY-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001566061407 1159957682 /nfs/dbraw/zinc/95/76/82/1159957682.db2.gz GTXWTJYQPMOSMR-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001566061407 1159957689 /nfs/dbraw/zinc/95/76/89/1159957689.db2.gz GTXWTJYQPMOSMR-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001566061407 1159957694 /nfs/dbraw/zinc/95/76/94/1159957694.db2.gz GTXWTJYQPMOSMR-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566672239 1160125302 /nfs/dbraw/zinc/12/53/02/1160125302.db2.gz JFWPPDCUMRQSKX-HIFRSBDPSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001566672239 1160125303 /nfs/dbraw/zinc/12/53/03/1160125303.db2.gz JFWPPDCUMRQSKX-HIFRSBDPSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001566682976 1160129037 /nfs/dbraw/zinc/12/90/37/1160129037.db2.gz UDZWHBFMASIFEH-CABCVRRESA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001566682976 1160129039 /nfs/dbraw/zinc/12/90/39/1160129039.db2.gz UDZWHBFMASIFEH-CABCVRRESA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001566682976 1160129041 /nfs/dbraw/zinc/12/90/41/1160129041.db2.gz UDZWHBFMASIFEH-CABCVRRESA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001566682976 1160129045 /nfs/dbraw/zinc/12/90/45/1160129045.db2.gz UDZWHBFMASIFEH-CABCVRRESA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001567105889 1160241324 /nfs/dbraw/zinc/24/13/24/1160241324.db2.gz ABUZOPIOSIWYPH-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001567701132 1160459774 /nfs/dbraw/zinc/45/97/74/1160459774.db2.gz CLXZZCVMDBDGPY-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001567701132 1160459779 /nfs/dbraw/zinc/45/97/79/1160459779.db2.gz CLXZZCVMDBDGPY-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567701132 1160459782 /nfs/dbraw/zinc/45/97/82/1160459782.db2.gz CLXZZCVMDBDGPY-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001567721022 1160464928 /nfs/dbraw/zinc/46/49/28/1160464928.db2.gz SIVIWTTVKSWMKN-INIZCTEOSA-N 2 1 306.454 0.037 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001567910727 1160530148 /nfs/dbraw/zinc/53/01/48/1160530148.db2.gz HUDWYPIQANNTQE-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001567910727 1160530154 /nfs/dbraw/zinc/53/01/54/1160530154.db2.gz HUDWYPIQANNTQE-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001567910727 1160530161 /nfs/dbraw/zinc/53/01/61/1160530161.db2.gz HUDWYPIQANNTQE-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001567910727 1160530168 /nfs/dbraw/zinc/53/01/68/1160530168.db2.gz HUDWYPIQANNTQE-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569122082 1160948991 /nfs/dbraw/zinc/94/89/91/1160948991.db2.gz VNVIEALUSGQBKO-KGLIPLIRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569122082 1160948997 /nfs/dbraw/zinc/94/89/97/1160948997.db2.gz VNVIEALUSGQBKO-KGLIPLIRSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCCOC)C2)CC1 ZINC001569506831 1161082974 /nfs/dbraw/zinc/08/29/74/1161082974.db2.gz AQZKZAFEGDIBKB-UHFFFAOYSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569752961 1161225399 /nfs/dbraw/zinc/22/53/99/1161225399.db2.gz RLPKUFQFJHOFPB-WBVHZDCISA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001569752961 1161225401 /nfs/dbraw/zinc/22/54/01/1161225401.db2.gz RLPKUFQFJHOFPB-WBVHZDCISA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001569752961 1161225404 /nfs/dbraw/zinc/22/54/04/1161225404.db2.gz RLPKUFQFJHOFPB-WBVHZDCISA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569893387 1161299448 /nfs/dbraw/zinc/29/94/48/1161299448.db2.gz FHTRQRBUSGSNFH-AEFFLSMTSA-N 2 1 319.449 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569893387 1161299454 /nfs/dbraw/zinc/29/94/54/1161299454.db2.gz FHTRQRBUSGSNFH-AEFFLSMTSA-N 2 1 319.449 0.295 20 30 DCEDMP C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574830289 1163761709 /nfs/dbraw/zinc/76/17/09/1163761709.db2.gz DVCFLRKCBSVGQR-GDBMZVCRSA-N 2 1 319.453 0.936 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001626449425 1171481417 /nfs/dbraw/zinc/48/14/17/1171481417.db2.gz MOXVHYYZONYVNK-INIZCTEOSA-N 3 1 310.486 0.979 20 30 DCEDMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C2 ZINC001646009540 1172214902 /nfs/dbraw/zinc/21/49/02/1172214902.db2.gz CJAFHTSNLBFCAO-KBPBESRZSA-N 2 1 320.437 0.932 20 30 DCEDMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)[C@@H]2C1 ZINC001646841584 1172559910 /nfs/dbraw/zinc/55/99/10/1172559910.db2.gz QWWNNMIKYVYOSB-LUXDUYPMSA-N 2 1 302.422 0.582 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001661231198 1174108695 /nfs/dbraw/zinc/10/86/95/1174108695.db2.gz GATJELOERDLQCK-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001661231198 1174108698 /nfs/dbraw/zinc/10/86/98/1174108698.db2.gz GATJELOERDLQCK-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001661318058 1174116591 /nfs/dbraw/zinc/11/65/91/1174116591.db2.gz VNWGJDXLUPDAAE-KBPBESRZSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001664760263 1174454959 /nfs/dbraw/zinc/45/49/59/1174454959.db2.gz OYLFULPXLPVELT-OAHLLOKOSA-N 2 1 322.453 0.213 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001667182614 1174667536 /nfs/dbraw/zinc/66/75/36/1174667536.db2.gz KDPAQGOZNCEQEC-GDBMZVCRSA-N 2 1 318.421 0.668 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC#CCOC)C1 ZINC001667695535 1174703010 /nfs/dbraw/zinc/70/30/10/1174703010.db2.gz XXXRZUCSBJJEPF-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC#CCOC)C1 ZINC001667695535 1174703016 /nfs/dbraw/zinc/70/30/16/1174703016.db2.gz XXXRZUCSBJJEPF-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC#CCOC)C1 ZINC001667695535 1174703029 /nfs/dbraw/zinc/70/30/29/1174703029.db2.gz XXXRZUCSBJJEPF-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001672024137 1175065329 /nfs/dbraw/zinc/06/53/29/1175065329.db2.gz GEZHLRXHMINEPW-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001672024137 1175065332 /nfs/dbraw/zinc/06/53/32/1175065332.db2.gz GEZHLRXHMINEPW-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001672024137 1175065338 /nfs/dbraw/zinc/06/53/38/1175065338.db2.gz GEZHLRXHMINEPW-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001676267309 1175433664 /nfs/dbraw/zinc/43/36/64/1175433664.db2.gz BQYSMFJOHIWZSJ-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001676285758 1175434089 /nfs/dbraw/zinc/43/40/89/1175434089.db2.gz HAYPCCXOIMHTPC-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001676285758 1175434092 /nfs/dbraw/zinc/43/40/92/1175434092.db2.gz HAYPCCXOIMHTPC-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001676795723 1175489817 /nfs/dbraw/zinc/48/98/17/1175489817.db2.gz DYRDOJLWRRQVTO-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001676795723 1175489821 /nfs/dbraw/zinc/48/98/21/1175489821.db2.gz DYRDOJLWRRQVTO-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001676795723 1175489827 /nfs/dbraw/zinc/48/98/27/1175489827.db2.gz DYRDOJLWRRQVTO-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001676795723 1175489829 /nfs/dbraw/zinc/48/98/29/1175489829.db2.gz DYRDOJLWRRQVTO-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001676966412 1175508166 /nfs/dbraw/zinc/50/81/66/1175508166.db2.gz XVSKYZSUMGPNCS-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001677004323 1175512186 /nfs/dbraw/zinc/51/21/86/1175512186.db2.gz SMBNQOTYNHPMRA-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C2(NC(=O)CC[NH+]3CCOCC3)CC2)CC1 ZINC001677467903 1175566178 /nfs/dbraw/zinc/56/61/78/1175566178.db2.gz UQSDVVIPILPART-UHFFFAOYSA-N 2 1 319.449 0.703 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC001687889018 1175590234 /nfs/dbraw/zinc/59/02/34/1175590234.db2.gz JJSMSLZGZALYBK-UHFFFAOYSA-N 2 1 310.442 0.040 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001689203802 1176740246 /nfs/dbraw/zinc/74/02/46/1176740246.db2.gz BRECOZDIVPNGGU-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001689203802 1176740252 /nfs/dbraw/zinc/74/02/52/1176740252.db2.gz BRECOZDIVPNGGU-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001689203802 1176740257 /nfs/dbraw/zinc/74/02/57/1176740257.db2.gz BRECOZDIVPNGGU-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001690400819 1177236293 /nfs/dbraw/zinc/23/62/93/1177236293.db2.gz XMDZDOIOKYYPBS-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2nccn2C)CC1 ZINC001690649976 1177294719 /nfs/dbraw/zinc/29/47/19/1177294719.db2.gz BYNBKTORDNLUEL-CQSZACIVSA-N 2 1 317.437 0.360 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001691926608 1177384823 /nfs/dbraw/zinc/38/48/23/1177384823.db2.gz YZIXGPKBVVHJJX-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC#CCOC)CCCC1 ZINC001698806886 1177667315 /nfs/dbraw/zinc/66/73/15/1177667315.db2.gz RKBUFRSXAPUKKC-UHFFFAOYSA-N 2 1 309.454 0.997 20 30 DCEDMP C=CCOCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699001626 1177763988 /nfs/dbraw/zinc/76/39/88/1177763988.db2.gz LMBYCGGPKCWTLX-MRXNPFEDSA-N 2 1 309.454 0.921 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001699807709 1178291854 /nfs/dbraw/zinc/29/18/54/1178291854.db2.gz GXLMHKVAMXAZKA-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001699824811 1178306927 /nfs/dbraw/zinc/30/69/27/1178306927.db2.gz KOBQUOUOJXVNBM-INIZCTEOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001699824811 1178306934 /nfs/dbraw/zinc/30/69/34/1178306934.db2.gz KOBQUOUOJXVNBM-INIZCTEOSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCF)CCOCC1 ZINC001699881022 1178329473 /nfs/dbraw/zinc/32/94/73/1178329473.db2.gz SSURKPWBYVJLBV-AWEZNQCLSA-N 2 1 311.401 0.309 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCF)CCOCC1 ZINC001699881022 1178329481 /nfs/dbraw/zinc/32/94/81/1178329481.db2.gz SSURKPWBYVJLBV-AWEZNQCLSA-N 2 1 311.401 0.309 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001699897924 1178349105 /nfs/dbraw/zinc/34/91/05/1178349105.db2.gz KHMDLGZKAPYCBQ-QGZVFWFLSA-N 2 1 314.389 0.995 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001700161368 1178507630 /nfs/dbraw/zinc/50/76/30/1178507630.db2.gz CAFPPTBJIANMBG-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@H]1C ZINC001700826938 1178766914 /nfs/dbraw/zinc/76/69/14/1178766914.db2.gz WQRHYQSYVKAGBE-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001701024120 1178881212 /nfs/dbraw/zinc/88/12/12/1178881212.db2.gz ZGQKGYQRXBPIIZ-FHERZECASA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001707139769 1180422657 /nfs/dbraw/zinc/42/26/57/1180422657.db2.gz LOQZSSIWRRMWQC-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713219384 1180726751 /nfs/dbraw/zinc/72/67/51/1180726751.db2.gz PCWSRUYATREPIM-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001713416799 1180807371 /nfs/dbraw/zinc/80/73/71/1180807371.db2.gz VTTAWLUXKXQNSG-ILXRZTDVSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001713456149 1180833875 /nfs/dbraw/zinc/83/38/75/1180833875.db2.gz FEQPQNLVUDCOJN-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001713456149 1180833879 /nfs/dbraw/zinc/83/38/79/1180833879.db2.gz FEQPQNLVUDCOJN-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001713456149 1180833885 /nfs/dbraw/zinc/83/38/85/1180833885.db2.gz FEQPQNLVUDCOJN-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001713456149 1180833892 /nfs/dbraw/zinc/83/38/92/1180833892.db2.gz FEQPQNLVUDCOJN-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001713597850 1180955717 /nfs/dbraw/zinc/95/57/17/1180955717.db2.gz IEIXNTRLTLSNLN-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001713801401 1181077097 /nfs/dbraw/zinc/07/70/97/1181077097.db2.gz JHOABNRLLOYNOW-UHFFFAOYSA-N 2 1 322.497 0.721 20 30 DCEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001714255255 1181296803 /nfs/dbraw/zinc/29/68/03/1181296803.db2.gz UZILXYUHAZSSGN-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001714255255 1181296806 /nfs/dbraw/zinc/29/68/06/1181296806.db2.gz UZILXYUHAZSSGN-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001714907560 1181596230 /nfs/dbraw/zinc/59/62/30/1181596230.db2.gz IPOYIUXBCZEKHV-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001714907560 1181596234 /nfs/dbraw/zinc/59/62/34/1181596234.db2.gz IPOYIUXBCZEKHV-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001714907560 1181596238 /nfs/dbraw/zinc/59/62/38/1181596238.db2.gz IPOYIUXBCZEKHV-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001714907560 1181596241 /nfs/dbraw/zinc/59/62/41/1181596241.db2.gz IPOYIUXBCZEKHV-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001715193392 1181712918 /nfs/dbraw/zinc/71/29/18/1181712918.db2.gz JLFJAHSKIIUMEZ-MRXNPFEDSA-N 2 1 303.406 0.909 20 30 DCEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001715193392 1181712926 /nfs/dbraw/zinc/71/29/26/1181712926.db2.gz JLFJAHSKIIUMEZ-MRXNPFEDSA-N 2 1 303.406 0.909 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@H](C)COC)CC1 ZINC001715539259 1181848149 /nfs/dbraw/zinc/84/81/49/1181848149.db2.gz HPGCEDJOSYRIHM-OAHLLOKOSA-N 2 1 309.454 0.757 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001715645921 1181921344 /nfs/dbraw/zinc/92/13/44/1181921344.db2.gz JZECQXPTPMTVNV-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001716004176 1182142166 /nfs/dbraw/zinc/14/21/66/1182142166.db2.gz RXGNITMLTJYNCM-KBPBESRZSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001716004176 1182142170 /nfs/dbraw/zinc/14/21/70/1182142170.db2.gz RXGNITMLTJYNCM-KBPBESRZSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716004176 1182142173 /nfs/dbraw/zinc/14/21/73/1182142173.db2.gz RXGNITMLTJYNCM-KBPBESRZSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001716004176 1182142177 /nfs/dbraw/zinc/14/21/77/1182142177.db2.gz RXGNITMLTJYNCM-KBPBESRZSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001716400125 1182375609 /nfs/dbraw/zinc/37/56/09/1182375609.db2.gz WTNFFHYXLRKHAZ-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001716718050 1182501638 /nfs/dbraw/zinc/50/16/38/1182501638.db2.gz ZIPXYCAHYWXHLY-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001717023272 1182630734 /nfs/dbraw/zinc/63/07/34/1182630734.db2.gz NGQIFODKJLQVIZ-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001717023272 1182630738 /nfs/dbraw/zinc/63/07/38/1182630738.db2.gz NGQIFODKJLQVIZ-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001717023272 1182630743 /nfs/dbraw/zinc/63/07/43/1182630743.db2.gz NGQIFODKJLQVIZ-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001717023272 1182630747 /nfs/dbraw/zinc/63/07/47/1182630747.db2.gz NGQIFODKJLQVIZ-ZMSDIMECSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001717181367 1182714157 /nfs/dbraw/zinc/71/41/57/1182714157.db2.gz LZEIDPAUYUEIJN-HNNXBMFYSA-N 2 1 311.426 0.102 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001717183400 1182716486 /nfs/dbraw/zinc/71/64/86/1182716486.db2.gz PBIURRNRLWBEMI-MRXNPFEDSA-N 2 1 318.421 0.812 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)CC#CCOC)CC1 ZINC001717705063 1182958771 /nfs/dbraw/zinc/95/87/71/1182958771.db2.gz FJSDNTKRHWGBKF-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)CC#CCOC)CC1 ZINC001717705063 1182958773 /nfs/dbraw/zinc/95/87/73/1182958773.db2.gz FJSDNTKRHWGBKF-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)CC#CCOC)CC1 ZINC001717705063 1182958777 /nfs/dbraw/zinc/95/87/77/1182958777.db2.gz FJSDNTKRHWGBKF-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001717939333 1183077738 /nfs/dbraw/zinc/07/77/38/1183077738.db2.gz FDMXJLSLJKEBNE-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001717939333 1183077742 /nfs/dbraw/zinc/07/77/42/1183077742.db2.gz FDMXJLSLJKEBNE-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001717939333 1183077743 /nfs/dbraw/zinc/07/77/43/1183077743.db2.gz FDMXJLSLJKEBNE-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001724061698 1184375349 /nfs/dbraw/zinc/37/53/49/1184375349.db2.gz XTHJRTCPHOOELB-CQSZACIVSA-N 2 1 322.453 0.128 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001724061698 1184375356 /nfs/dbraw/zinc/37/53/56/1184375356.db2.gz XTHJRTCPHOOELB-CQSZACIVSA-N 2 1 322.453 0.128 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCO)C1 ZINC001724323981 1184410475 /nfs/dbraw/zinc/41/04/75/1184410475.db2.gz NHMXGGGVGWKRJV-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCO)C1 ZINC001724323981 1184410480 /nfs/dbraw/zinc/41/04/80/1184410480.db2.gz NHMXGGGVGWKRJV-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCCO)C1 ZINC001724323981 1184410483 /nfs/dbraw/zinc/41/04/83/1184410483.db2.gz NHMXGGGVGWKRJV-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCCO)C1 ZINC001724323981 1184410486 /nfs/dbraw/zinc/41/04/86/1184410486.db2.gz NHMXGGGVGWKRJV-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001724641285 1184490197 /nfs/dbraw/zinc/49/01/97/1184490197.db2.gz IQZSPTRIOAPDHH-KRWDZBQOSA-N 2 1 305.422 0.049 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001724841988 1184588715 /nfs/dbraw/zinc/58/87/15/1184588715.db2.gz GLHKEWAMTOOJSY-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001724998331 1184651814 /nfs/dbraw/zinc/65/18/14/1184651814.db2.gz APIOJRIVGRFJSZ-ZBFHGGJFSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001724998331 1184651818 /nfs/dbraw/zinc/65/18/18/1184651818.db2.gz APIOJRIVGRFJSZ-ZBFHGGJFSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001725170953 1184706144 /nfs/dbraw/zinc/70/61/44/1184706144.db2.gz MLWKLFVNAYTWHL-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725170953 1184706147 /nfs/dbraw/zinc/70/61/47/1184706147.db2.gz MLWKLFVNAYTWHL-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001725170953 1184706151 /nfs/dbraw/zinc/70/61/51/1184706151.db2.gz MLWKLFVNAYTWHL-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001725206962 1184725055 /nfs/dbraw/zinc/72/50/55/1184725055.db2.gz GAMQMWHOBABPJW-CABCVRRESA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001725307912 1184763179 /nfs/dbraw/zinc/76/31/79/1184763179.db2.gz DQPJWRJLCUIWKA-OSYLJGHBSA-N 2 1 319.449 0.415 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731500747 1185363436 /nfs/dbraw/zinc/36/34/36/1185363436.db2.gz WVCVVIYQAZAZMC-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001731500747 1185363443 /nfs/dbraw/zinc/36/34/43/1185363443.db2.gz WVCVVIYQAZAZMC-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001731500747 1185363448 /nfs/dbraw/zinc/36/34/48/1185363448.db2.gz WVCVVIYQAZAZMC-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001731795049 1185491246 /nfs/dbraw/zinc/49/12/46/1185491246.db2.gz ARTPKLJNGQABRL-OAHLLOKOSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001731832074 1185513775 /nfs/dbraw/zinc/51/37/75/1185513775.db2.gz CPPDLPOGNDRHEY-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001731832074 1185513781 /nfs/dbraw/zinc/51/37/81/1185513781.db2.gz CPPDLPOGNDRHEY-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001732175696 1185721466 /nfs/dbraw/zinc/72/14/66/1185721466.db2.gz KXSVUWBXZABZSC-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC#CCOC ZINC001732374464 1185785115 /nfs/dbraw/zinc/78/51/15/1185785115.db2.gz WMZDSKXODVWAMR-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001732983355 1186091043 /nfs/dbraw/zinc/09/10/43/1186091043.db2.gz JNNNSINVCVLGIR-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001733558189 1186332763 /nfs/dbraw/zinc/33/27/63/1186332763.db2.gz YQJCDCSWXMDLKR-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001733558191 1186333301 /nfs/dbraw/zinc/33/33/01/1186333301.db2.gz YQJCDCSWXMDLKR-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001733590717 1186348822 /nfs/dbraw/zinc/34/88/22/1186348822.db2.gz HSZDJEIGOADMFG-INIZCTEOSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001733590717 1186348828 /nfs/dbraw/zinc/34/88/28/1186348828.db2.gz HSZDJEIGOADMFG-INIZCTEOSA-N 2 1 304.394 0.158 20 30 DCEDMP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734414700 1186646649 /nfs/dbraw/zinc/64/66/49/1186646649.db2.gz FTXZXDSVLJCRIM-LSDHHAIUSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734414697 1186646826 /nfs/dbraw/zinc/64/68/26/1186646826.db2.gz FTXZXDSVLJCRIM-CABCVRRESA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001734505365 1186667870 /nfs/dbraw/zinc/66/78/70/1186667870.db2.gz TUMNUIYLQSXFAY-KBPBESRZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001752357576 1188417374 /nfs/dbraw/zinc/41/73/74/1188417374.db2.gz WEXVBUTVHKEKTN-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C=C(C)CN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752357576 1188417376 /nfs/dbraw/zinc/41/73/76/1188417376.db2.gz WEXVBUTVHKEKTN-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C=C(C)CN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001752357576 1188417381 /nfs/dbraw/zinc/41/73/81/1188417381.db2.gz WEXVBUTVHKEKTN-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001752983848 1188471427 /nfs/dbraw/zinc/47/14/27/1188471427.db2.gz PWGHLGCOVJAHPJ-HZPDHXFCSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001755146319 1189035168 /nfs/dbraw/zinc/03/51/68/1189035168.db2.gz NVFVSTBAFWASJR-UHFFFAOYSA-N 2 1 318.465 0.180 20 30 DCEDMP CC[N@H+]1CCC[C@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303864515 1190297313 /nfs/dbraw/zinc/29/73/13/1190297313.db2.gz AZOPSORUCFKAGR-OAHLLOKOSA-N 2 1 311.474 0.216 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167237101 747034399 /nfs/dbraw/zinc/03/43/99/747034399.db2.gz UNWSYTMSFKKVRU-HOTGVXAUSA-N 2 1 321.465 0.710 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cnc[nH]3)[C@H]2C1 ZINC001083207722 747143851 /nfs/dbraw/zinc/14/38/51/747143851.db2.gz KSTMRCYSQQAIMM-LSDHHAIUSA-N 2 1 304.394 0.830 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001098561845 747347866 /nfs/dbraw/zinc/34/78/66/747347866.db2.gz NYSPKHHLNJBLKP-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561845 747347870 /nfs/dbraw/zinc/34/78/70/747347870.db2.gz NYSPKHHLNJBLKP-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561845 747347874 /nfs/dbraw/zinc/34/78/74/747347874.db2.gz NYSPKHHLNJBLKP-UHFFFAOYSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167626698 747436664 /nfs/dbraw/zinc/43/66/64/747436664.db2.gz FTOOLBKIJMAIQH-OAHLLOKOSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001098584249 747582128 /nfs/dbraw/zinc/58/21/28/747582128.db2.gz QIGATHSAGOYGBJ-UHFFFAOYSA-N 2 1 304.394 0.192 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645588 749790784 /nfs/dbraw/zinc/79/07/84/749790784.db2.gz QWKFOVVIHYFNCC-HUUCEWRRSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645588 749790791 /nfs/dbraw/zinc/79/07/91/749790791.db2.gz QWKFOVVIHYFNCC-HUUCEWRRSA-N 2 1 318.425 0.421 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H]1C ZINC001089059300 750781528 /nfs/dbraw/zinc/78/15/28/750781528.db2.gz HPMZCQJZEZWVIK-WBVHZDCISA-N 2 1 301.434 0.934 20 30 DCEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099590742 752540444 /nfs/dbraw/zinc/54/04/44/752540444.db2.gz IKTIUDPTHPZPTP-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078227067 753122796 /nfs/dbraw/zinc/12/27/96/753122796.db2.gz HOHFKBYBHBZFRU-IAGOWNOFSA-N 2 1 315.417 0.546 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001046035092 753437262 /nfs/dbraw/zinc/43/72/62/753437262.db2.gz DIYHODFSCHJDFX-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035092 753437266 /nfs/dbraw/zinc/43/72/66/753437266.db2.gz DIYHODFSCHJDFX-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046062536 753455987 /nfs/dbraw/zinc/45/59/87/753455987.db2.gz UFYJFJBZUKLENV-IAGOWNOFSA-N 2 1 322.497 0.977 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046074295 753465225 /nfs/dbraw/zinc/46/52/25/753465225.db2.gz XHSDTLKXVDTKKM-OAHLLOKOSA-N 2 1 317.437 0.747 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075856 753467970 /nfs/dbraw/zinc/46/79/70/753467970.db2.gz GVOFSQATQCCXSO-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075856 753467976 /nfs/dbraw/zinc/46/79/76/753467976.db2.gz GVOFSQATQCCXSO-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075856 753467978 /nfs/dbraw/zinc/46/79/78/753467978.db2.gz GVOFSQATQCCXSO-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046082475 753472547 /nfs/dbraw/zinc/47/25/47/753472547.db2.gz SDKVXLPVDFREFT-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082475 753472554 /nfs/dbraw/zinc/47/25/54/753472554.db2.gz SDKVXLPVDFREFT-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082475 753472559 /nfs/dbraw/zinc/47/25/59/753472559.db2.gz SDKVXLPVDFREFT-IRXDYDNUSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096140352 754035562 /nfs/dbraw/zinc/03/55/62/754035562.db2.gz VKEMQDYQFFZWCE-PMPSAXMXSA-N 2 1 317.437 0.966 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001047408554 754256615 /nfs/dbraw/zinc/25/66/15/754256615.db2.gz ZHJQGGLZAMBCDV-PMPSAXMXSA-N 2 1 309.454 0.654 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047408554 754256620 /nfs/dbraw/zinc/25/66/20/754256620.db2.gz ZHJQGGLZAMBCDV-PMPSAXMXSA-N 2 1 309.454 0.654 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047408554 754256626 /nfs/dbraw/zinc/25/66/26/754256626.db2.gz ZHJQGGLZAMBCDV-PMPSAXMXSA-N 2 1 309.454 0.654 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047408554 754256631 /nfs/dbraw/zinc/25/66/31/754256631.db2.gz ZHJQGGLZAMBCDV-PMPSAXMXSA-N 2 1 309.454 0.654 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC#C)C2)CC1 ZINC001072099178 762356472 /nfs/dbraw/zinc/35/64/72/762356472.db2.gz NDVKZLCQTIKLHA-WBVHZDCISA-N 2 1 301.434 0.934 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116454 755124544 /nfs/dbraw/zinc/12/45/44/755124544.db2.gz QHQYEIOMVKWWDV-IYBDPMFKSA-N 2 1 305.422 0.122 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116454 755124550 /nfs/dbraw/zinc/12/45/50/755124550.db2.gz QHQYEIOMVKWWDV-IYBDPMFKSA-N 2 1 305.422 0.122 20 30 DCEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001053698693 756151909 /nfs/dbraw/zinc/15/19/09/756151909.db2.gz SJFBDZLNRJESHP-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001053698696 756152001 /nfs/dbraw/zinc/15/20/01/756152001.db2.gz SJFBDZLNRJESHP-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593195 756249420 /nfs/dbraw/zinc/24/94/20/756249420.db2.gz NPFGTIAELGNBKR-GDBMZVCRSA-N 2 1 317.437 0.518 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001053924993 756281504 /nfs/dbraw/zinc/28/15/04/756281504.db2.gz DZTATKANHVJVIO-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001053924993 756281508 /nfs/dbraw/zinc/28/15/08/756281508.db2.gz DZTATKANHVJVIO-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001081843478 756839862 /nfs/dbraw/zinc/83/98/62/756839862.db2.gz YNDLISDFNUKYBQ-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001081843478 756839869 /nfs/dbraw/zinc/83/98/69/756839869.db2.gz YNDLISDFNUKYBQ-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392912 757376993 /nfs/dbraw/zinc/37/69/93/757376993.db2.gz XMPSZHVZZTZIKF-HUUCEWRRSA-N 2 1 305.422 0.190 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164334 757439929 /nfs/dbraw/zinc/43/99/29/757439929.db2.gz CZHYCRGKECSBRR-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164334 757439932 /nfs/dbraw/zinc/43/99/32/757439932.db2.gz CZHYCRGKECSBRR-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087672 757485241 /nfs/dbraw/zinc/48/52/41/757485241.db2.gz XRXWGDXUVHWFCK-XUWVNRHRSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087672 757485249 /nfs/dbraw/zinc/48/52/49/757485249.db2.gz XRXWGDXUVHWFCK-XUWVNRHRSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087672 757485257 /nfs/dbraw/zinc/48/52/57/757485257.db2.gz XRXWGDXUVHWFCK-XUWVNRHRSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087672 757485261 /nfs/dbraw/zinc/48/52/61/757485261.db2.gz XRXWGDXUVHWFCK-XUWVNRHRSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472518 757744071 /nfs/dbraw/zinc/74/40/71/757744071.db2.gz VJDCNVPHTLYELT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472518 757744081 /nfs/dbraw/zinc/74/40/81/757744081.db2.gz VJDCNVPHTLYELT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450495 757844001 /nfs/dbraw/zinc/84/40/01/757844001.db2.gz KUEAIOQVKJOEJA-HZPDHXFCSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450495 757844007 /nfs/dbraw/zinc/84/40/07/757844007.db2.gz KUEAIOQVKJOEJA-HZPDHXFCSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001098396031 762663402 /nfs/dbraw/zinc/66/34/02/762663402.db2.gz LSJPIPBHQXUIAI-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001098396031 762663407 /nfs/dbraw/zinc/66/34/07/762663407.db2.gz LSJPIPBHQXUIAI-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001098396031 762663411 /nfs/dbraw/zinc/66/34/11/762663411.db2.gz LSJPIPBHQXUIAI-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995374 759098722 /nfs/dbraw/zinc/09/87/22/759098722.db2.gz CJYMNXWJADLLBX-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001052459327 759431348 /nfs/dbraw/zinc/43/13/48/759431348.db2.gz LDHYPBMRWJKZGI-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052459327 759431349 /nfs/dbraw/zinc/43/13/49/759431349.db2.gz LDHYPBMRWJKZGI-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCO)CC1 ZINC001052459327 759431357 /nfs/dbraw/zinc/43/13/57/759431357.db2.gz LDHYPBMRWJKZGI-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCO)CC1 ZINC001052459327 759431361 /nfs/dbraw/zinc/43/13/61/759431361.db2.gz LDHYPBMRWJKZGI-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344342 760418530 /nfs/dbraw/zinc/41/85/30/760418530.db2.gz MPXSOOGUKNKQCO-INIZCTEOSA-N 2 1 307.438 0.865 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344342 760418534 /nfs/dbraw/zinc/41/85/34/760418534.db2.gz MPXSOOGUKNKQCO-INIZCTEOSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566816 760894188 /nfs/dbraw/zinc/89/41/88/760894188.db2.gz OIRLUDZIWBRGFG-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CCCCN3CCOCC3)C2)C1 ZINC001148445822 767996782 /nfs/dbraw/zinc/99/67/82/767996782.db2.gz WGYOOMRHEARYTC-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCOCC3)C2)C1 ZINC001148445822 767996788 /nfs/dbraw/zinc/99/67/88/767996788.db2.gz WGYOOMRHEARYTC-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369559 761099116 /nfs/dbraw/zinc/09/91/16/761099116.db2.gz AEWIZNNRZZDTFD-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369559 761099125 /nfs/dbraw/zinc/09/91/25/761099125.db2.gz AEWIZNNRZZDTFD-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369559 761099133 /nfs/dbraw/zinc/09/91/33/761099133.db2.gz AEWIZNNRZZDTFD-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369559 761099144 /nfs/dbraw/zinc/09/91/44/761099144.db2.gz AEWIZNNRZZDTFD-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123656355 768015230 /nfs/dbraw/zinc/01/52/30/768015230.db2.gz ROUNUGJPKKHCPY-HOCLYGCPSA-N 2 1 323.485 0.570 20 30 DCEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070435883 761236695 /nfs/dbraw/zinc/23/66/95/761236695.db2.gz UWMUFUAXIQJTRO-UONOGXRCSA-N 2 1 315.421 0.400 20 30 DCEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070435883 761236699 /nfs/dbraw/zinc/23/66/99/761236699.db2.gz UWMUFUAXIQJTRO-UONOGXRCSA-N 2 1 315.421 0.400 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070435883 761236702 /nfs/dbraw/zinc/23/67/02/761236702.db2.gz UWMUFUAXIQJTRO-UONOGXRCSA-N 2 1 315.421 0.400 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227222 761724574 /nfs/dbraw/zinc/72/45/74/761724574.db2.gz BEBRBZCLTBPNLP-CRAIPNDOSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841665 762740223 /nfs/dbraw/zinc/74/02/23/762740223.db2.gz MRGSVOJVASASAB-BQFCYCMXSA-N 2 1 301.434 0.932 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970945 768106265 /nfs/dbraw/zinc/10/62/65/768106265.db2.gz OVRMDLZZLIVUJO-ARFHVFGLSA-N 2 1 315.421 0.032 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879090 763096193 /nfs/dbraw/zinc/09/61/93/763096193.db2.gz FGVCYCWINSDLIP-HZPDHXFCSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](O)C1 ZINC001099897035 763107381 /nfs/dbraw/zinc/10/73/81/763107381.db2.gz PTDFEERZRWIYRR-JKSUJKDBSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](O)C1 ZINC001099897035 763107384 /nfs/dbraw/zinc/10/73/84/763107384.db2.gz PTDFEERZRWIYRR-JKSUJKDBSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](O)C1 ZINC001099897035 763107387 /nfs/dbraw/zinc/10/73/87/763107387.db2.gz PTDFEERZRWIYRR-JKSUJKDBSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](O)C1 ZINC001099897035 763107388 /nfs/dbraw/zinc/10/73/88/763107388.db2.gz PTDFEERZRWIYRR-JKSUJKDBSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](O)C1 ZINC001099931235 763136460 /nfs/dbraw/zinc/13/64/60/763136460.db2.gz PKLQOAMHJFHSNG-JKSUJKDBSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](O)C1 ZINC001099931235 763136470 /nfs/dbraw/zinc/13/64/70/763136470.db2.gz PKLQOAMHJFHSNG-JKSUJKDBSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100014083 763218111 /nfs/dbraw/zinc/21/81/11/763218111.db2.gz YJMRPSIDYNMPNZ-HUUCEWRRSA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100014083 763218120 /nfs/dbraw/zinc/21/81/20/763218120.db2.gz YJMRPSIDYNMPNZ-HUUCEWRRSA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100014083 763218131 /nfs/dbraw/zinc/21/81/31/763218131.db2.gz YJMRPSIDYNMPNZ-HUUCEWRRSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038538 763244057 /nfs/dbraw/zinc/24/40/57/763244057.db2.gz KEGFCNODAGFAGN-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038538 763244067 /nfs/dbraw/zinc/24/40/67/763244067.db2.gz KEGFCNODAGFAGN-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038538 763244076 /nfs/dbraw/zinc/24/40/76/763244076.db2.gz KEGFCNODAGFAGN-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038538 763244086 /nfs/dbraw/zinc/24/40/86/763244086.db2.gz KEGFCNODAGFAGN-HZPDHXFCSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415796 763293120 /nfs/dbraw/zinc/29/31/20/763293120.db2.gz PNQHPLVQZUFMSV-CYBMUJFWSA-N 2 1 303.410 0.400 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127584 763336045 /nfs/dbraw/zinc/33/60/45/763336045.db2.gz XEAMLCLGRGQALU-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141542 763346887 /nfs/dbraw/zinc/34/68/87/763346887.db2.gz VPNMUBCELKDUIE-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100409745 763558983 /nfs/dbraw/zinc/55/89/83/763558983.db2.gz HWPWACJWEGDJJS-UHFFFAOYSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100827725 763811895 /nfs/dbraw/zinc/81/18/95/763811895.db2.gz RFUYXWCUBLYOFR-UHFFFAOYSA-N 2 1 310.442 0.115 20 30 DCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269644 764347715 /nfs/dbraw/zinc/34/77/15/764347715.db2.gz NGJLRDSVMBQBKD-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269644 764347718 /nfs/dbraw/zinc/34/77/18/764347718.db2.gz NGJLRDSVMBQBKD-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272753 764354431 /nfs/dbraw/zinc/35/44/31/764354431.db2.gz BIJHHEIKROACKG-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272753 764354435 /nfs/dbraw/zinc/35/44/35/764354435.db2.gz BIJHHEIKROACKG-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132517284 764487283 /nfs/dbraw/zinc/48/72/83/764487283.db2.gz AOEAVQAFHCUQHX-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132517284 764487286 /nfs/dbraw/zinc/48/72/86/764487286.db2.gz AOEAVQAFHCUQHX-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132517284 764487293 /nfs/dbraw/zinc/48/72/93/764487293.db2.gz AOEAVQAFHCUQHX-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132517284 764487297 /nfs/dbraw/zinc/48/72/97/764487297.db2.gz AOEAVQAFHCUQHX-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098479190 764492410 /nfs/dbraw/zinc/49/24/10/764492410.db2.gz WRMYISIEEAGHKM-DOTOQJQBSA-N 2 1 321.465 0.493 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479190 764492415 /nfs/dbraw/zinc/49/24/15/764492415.db2.gz WRMYISIEEAGHKM-DOTOQJQBSA-N 2 1 321.465 0.493 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479190 764492420 /nfs/dbraw/zinc/49/24/20/764492420.db2.gz WRMYISIEEAGHKM-DOTOQJQBSA-N 2 1 321.465 0.493 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)CC1 ZINC001092300019 768260772 /nfs/dbraw/zinc/26/07/72/768260772.db2.gz PEOAROBBEPULJB-AEFFLSMTSA-N 2 1 319.449 0.104 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983662 765444793 /nfs/dbraw/zinc/44/47/93/765444793.db2.gz OCLLVDXWXDWKSF-RYRKJORJSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245018 765660264 /nfs/dbraw/zinc/66/02/64/765660264.db2.gz KBABYVAOODGRJY-WCVJEAGWSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773647 765667042 /nfs/dbraw/zinc/66/70/42/765667042.db2.gz PVLWOINRIGVCTG-KGLIPLIRSA-N 2 1 324.469 0.339 20 30 DCEDMP O=C(NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1N=CC=CC1=O ZINC001116467135 765873830 /nfs/dbraw/zinc/87/38/30/765873830.db2.gz SKTRNLVPVPIXOL-QVDVFPETSA-N 2 1 304.394 0.729 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001136524931 766317894 /nfs/dbraw/zinc/31/78/94/766317894.db2.gz RKNFNJGEHUUHES-AWEZNQCLSA-N 2 1 308.426 0.045 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691983 766481907 /nfs/dbraw/zinc/48/19/07/766481907.db2.gz JEEJENAEHZHIEZ-SJORKVTESA-N 2 1 321.465 0.682 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090732669 766529494 /nfs/dbraw/zinc/52/94/94/766529494.db2.gz CNJMAQNLEYNXJP-GDBMZVCRSA-N 2 1 318.421 0.889 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090732669 766529502 /nfs/dbraw/zinc/52/95/02/766529502.db2.gz CNJMAQNLEYNXJP-GDBMZVCRSA-N 2 1 318.421 0.889 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001090826617 766645017 /nfs/dbraw/zinc/64/50/17/766645017.db2.gz BTBPDPIHRJFSIN-SJORKVTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001090826617 766645020 /nfs/dbraw/zinc/64/50/20/766645020.db2.gz BTBPDPIHRJFSIN-SJORKVTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)C[C@H]2O)CC1 ZINC001090831947 766648897 /nfs/dbraw/zinc/64/88/97/766648897.db2.gz XNEVZTIKSPOTCD-IAGOWNOFSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)C[C@@H]2O)CC1 ZINC001090830598 766648942 /nfs/dbraw/zinc/64/89/42/766648942.db2.gz NOFPOUXCNWLRBR-IRXDYDNUSA-N 2 1 321.465 0.539 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171225953 767049041 /nfs/dbraw/zinc/04/90/41/767049041.db2.gz BWHMDRLQBOAGRB-KBPBESRZSA-N 2 1 310.442 0.115 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001125214324 768375608 /nfs/dbraw/zinc/37/56/08/768375608.db2.gz RFIUCHKZOTXSLJ-HNNXBMFYSA-N 2 1 320.368 0.234 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001125214324 768375614 /nfs/dbraw/zinc/37/56/14/768375614.db2.gz RFIUCHKZOTXSLJ-HNNXBMFYSA-N 2 1 320.368 0.234 20 30 DCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](CCCC[NH3+])C2 ZINC001235453816 769848891 /nfs/dbraw/zinc/84/88/91/769848891.db2.gz MAGLFDLPBXKRRK-KRWDZBQOSA-N 2 1 308.470 0.908 20 30 DCEDMP N#Cc1ccc(CCC[NH+]2CCNCC[NH2+]CCNCC2)cc1 ZINC001235868866 769952100 /nfs/dbraw/zinc/95/21/00/769952100.db2.gz GDGSFLGMJVSTQC-UHFFFAOYSA-N 2 1 315.465 0.575 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001176972024 770264394 /nfs/dbraw/zinc/26/43/94/770264394.db2.gz LBDNPWYFMRLIEO-CQSZACIVSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409864 771007157 /nfs/dbraw/zinc/00/71/57/771007157.db2.gz RMLLCIFXRURWRJ-QAETUUGQSA-N 2 1 321.465 0.946 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001183043418 771596201 /nfs/dbraw/zinc/59/62/01/771596201.db2.gz RVXLWROFJKXTMK-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001183043418 771596204 /nfs/dbraw/zinc/59/62/04/771596204.db2.gz RVXLWROFJKXTMK-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240806 771627588 /nfs/dbraw/zinc/62/75/88/771627588.db2.gz UXZSPVAONFPSBV-IAGOWNOFSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158029832 771715380 /nfs/dbraw/zinc/71/53/80/771715380.db2.gz LKOAKOXUWVQIRE-CABCVRRESA-N 2 1 322.453 0.259 20 30 DCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868516 771971063 /nfs/dbraw/zinc/97/10/63/771971063.db2.gz FPYKDMFKBLEZDO-MRXNPFEDSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC001160197928 772006618 /nfs/dbraw/zinc/00/66/18/772006618.db2.gz OLLNGXQJHXDGAG-INIZCTEOSA-N 2 1 300.406 0.775 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC001160197928 772006622 /nfs/dbraw/zinc/00/66/22/772006622.db2.gz OLLNGXQJHXDGAG-INIZCTEOSA-N 2 1 300.406 0.775 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001160209756 772009836 /nfs/dbraw/zinc/00/98/36/772009836.db2.gz VPXSGGBUKVOWMF-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001160209756 772009841 /nfs/dbraw/zinc/00/98/41/772009841.db2.gz VPXSGGBUKVOWMF-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355617 772032537 /nfs/dbraw/zinc/03/25/37/772032537.db2.gz JKGCHSIGIWOQJD-OAHLLOKOSA-N 2 1 311.426 0.102 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC12CCOCC2 ZINC001186560867 772055599 /nfs/dbraw/zinc/05/55/99/772055599.db2.gz JNXGQBHTAUNLGN-MRXNPFEDSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001161914784 772299039 /nfs/dbraw/zinc/29/90/39/772299039.db2.gz QKKUHPCFKMMLAZ-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161914784 772299043 /nfs/dbraw/zinc/29/90/43/772299043.db2.gz QKKUHPCFKMMLAZ-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161914784 772299046 /nfs/dbraw/zinc/29/90/46/772299046.db2.gz QKKUHPCFKMMLAZ-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161914784 772299054 /nfs/dbraw/zinc/29/90/54/772299054.db2.gz QKKUHPCFKMMLAZ-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189426575 772474582 /nfs/dbraw/zinc/47/45/82/772474582.db2.gz ZWMIBTBSAMVMGV-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189426575 772474584 /nfs/dbraw/zinc/47/45/84/772474584.db2.gz ZWMIBTBSAMVMGV-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190654617 772658299 /nfs/dbraw/zinc/65/82/99/772658299.db2.gz KKJGHPVSASNEIE-ZBFHGGJFSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190654617 772658301 /nfs/dbraw/zinc/65/83/01/772658301.db2.gz KKJGHPVSASNEIE-ZBFHGGJFSA-N 2 1 322.453 0.162 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190655188 772658659 /nfs/dbraw/zinc/65/86/59/772658659.db2.gz ONONMHMGAUMYDP-JKSUJKDBSA-N 2 1 307.438 0.509 20 30 DCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001165485040 772742253 /nfs/dbraw/zinc/74/22/53/772742253.db2.gz KKYGTRFBFBMSCX-OAHLLOKOSA-N 2 1 319.453 0.875 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166202697 772793419 /nfs/dbraw/zinc/79/34/19/772793419.db2.gz XFVGJNHQWFZAOA-UHFFFAOYSA-N 2 1 318.421 0.717 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192008608 772857810 /nfs/dbraw/zinc/85/78/10/772857810.db2.gz ZGTTWQQYCLQXJJ-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192008608 772857813 /nfs/dbraw/zinc/85/78/13/772857813.db2.gz ZGTTWQQYCLQXJJ-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353093 772909066 /nfs/dbraw/zinc/90/90/66/772909066.db2.gz ADGYYJAUCOVMNQ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192353093 772909069 /nfs/dbraw/zinc/90/90/69/772909069.db2.gz ADGYYJAUCOVMNQ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192353093 772909074 /nfs/dbraw/zinc/90/90/74/772909074.db2.gz ADGYYJAUCOVMNQ-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192353781 772909235 /nfs/dbraw/zinc/90/92/35/772909235.db2.gz HQVPQWLQJXWCGC-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192353781 772909236 /nfs/dbraw/zinc/90/92/36/772909236.db2.gz HQVPQWLQJXWCGC-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353781 772909239 /nfs/dbraw/zinc/90/92/39/772909239.db2.gz HQVPQWLQJXWCGC-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353781 772909243 /nfs/dbraw/zinc/90/92/43/772909243.db2.gz HQVPQWLQJXWCGC-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679858 772947574 /nfs/dbraw/zinc/94/75/74/772947574.db2.gz GOORJJGXBWNABI-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001205345775 772988084 /nfs/dbraw/zinc/98/80/84/772988084.db2.gz YAHLPDZSSYFVHY-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661018 773460197 /nfs/dbraw/zinc/46/01/97/773460197.db2.gz DNVNITWOZINJIE-RRFJBIMHSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208640021 773509846 /nfs/dbraw/zinc/50/98/46/773509846.db2.gz XLLVPNMBZWLEJF-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208739198 773523820 /nfs/dbraw/zinc/52/38/20/773523820.db2.gz PWJJECNCTORVQE-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP CSc1nn(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)c(N)c1C#N ZINC001210262569 773692440 /nfs/dbraw/zinc/69/24/40/773692440.db2.gz HCTLTYOXPKRVFV-UHFFFAOYSA-N 2 1 315.406 0.853 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426826 773707972 /nfs/dbraw/zinc/70/79/72/773707972.db2.gz LJAPCKFIFFCUND-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861020 774019745 /nfs/dbraw/zinc/01/97/45/774019745.db2.gz FVRPHPNKRCFUMN-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC=C)C1 ZINC001214878888 774021133 /nfs/dbraw/zinc/02/11/33/774021133.db2.gz HGSSPCNOHUZFOK-ZACQAIPSSA-N 2 1 319.449 0.723 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC=C)C1 ZINC001214878888 774021139 /nfs/dbraw/zinc/02/11/39/774021139.db2.gz HGSSPCNOHUZFOK-ZACQAIPSSA-N 2 1 319.449 0.723 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024384 774035119 /nfs/dbraw/zinc/03/51/19/774035119.db2.gz JGRDUNVWFHBRIH-IUODEOHRSA-N 2 1 304.394 0.810 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203932290 774076566 /nfs/dbraw/zinc/07/65/66/774076566.db2.gz BGYWRMDAUDCDQC-CQSZACIVSA-N 2 1 324.469 0.598 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052281 774354583 /nfs/dbraw/zinc/35/45/83/774354583.db2.gz QUALEQLYDUDOHB-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052281 774354591 /nfs/dbraw/zinc/35/45/91/774354591.db2.gz QUALEQLYDUDOHB-DLBZAZTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001201037400 774442779 /nfs/dbraw/zinc/44/27/79/774442779.db2.gz IHOVWDXIHYDMRP-MRXNPFEDSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)COC)CC1 ZINC001201093583 774445428 /nfs/dbraw/zinc/44/54/28/774445428.db2.gz DVHQXXLOTHTWSK-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)COC)CC1 ZINC001201093583 774445430 /nfs/dbraw/zinc/44/54/30/774445430.db2.gz DVHQXXLOTHTWSK-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403378 774501733 /nfs/dbraw/zinc/50/17/33/774501733.db2.gz KFKMQNQEVFCNMQ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCCO1 ZINC001201419648 774506967 /nfs/dbraw/zinc/50/69/67/774506967.db2.gz HDTBDKUDUYRRGB-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717839 774729636 /nfs/dbraw/zinc/72/96/36/774729636.db2.gz KIGGYUBHHSNNRD-OAGGEKHMSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717839 774729639 /nfs/dbraw/zinc/72/96/39/774729639.db2.gz KIGGYUBHHSNNRD-OAGGEKHMSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114457887 774879437 /nfs/dbraw/zinc/87/94/37/774879437.db2.gz BOYGQPRIRVRGIG-FICVDOATSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001221085465 774992751 /nfs/dbraw/zinc/99/27/51/774992751.db2.gz KWPDYHGIUMSUSN-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001221085465 774992758 /nfs/dbraw/zinc/99/27/58/774992758.db2.gz KWPDYHGIUMSUSN-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001221085465 774992768 /nfs/dbraw/zinc/99/27/68/774992768.db2.gz KWPDYHGIUMSUSN-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC ZINC001226860811 775887769 /nfs/dbraw/zinc/88/77/69/775887769.db2.gz RSSRJIBDKQCXRU-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC ZINC001226860811 775887776 /nfs/dbraw/zinc/88/77/76/775887776.db2.gz RSSRJIBDKQCXRU-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229254517 776174601 /nfs/dbraw/zinc/17/46/01/776174601.db2.gz VFKVGNCPPUHXID-HIFRSBDPSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229678452 776212161 /nfs/dbraw/zinc/21/21/61/776212161.db2.gz DNWDGRYYZHBESS-UHFFFAOYSA-N 2 1 310.442 0.211 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041401589 777256281 /nfs/dbraw/zinc/25/62/81/777256281.db2.gz CCNWSHUAJYLRGV-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041401589 777256283 /nfs/dbraw/zinc/25/62/83/777256283.db2.gz CCNWSHUAJYLRGV-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041401589 777256287 /nfs/dbraw/zinc/25/62/87/777256287.db2.gz CCNWSHUAJYLRGV-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041401589 777256289 /nfs/dbraw/zinc/25/62/89/777256289.db2.gz CCNWSHUAJYLRGV-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835880 777531505 /nfs/dbraw/zinc/53/15/05/777531505.db2.gz XHQWKGUQWWBLHS-SJLPKXTDSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001317823800 945197669 /nfs/dbraw/zinc/19/76/69/945197669.db2.gz BPHALPXLZPHMBP-MRXNPFEDSA-N 2 1 306.454 0.037 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001317823800 945197673 /nfs/dbraw/zinc/19/76/73/945197673.db2.gz BPHALPXLZPHMBP-MRXNPFEDSA-N 2 1 306.454 0.037 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266397233 939104987 /nfs/dbraw/zinc/10/49/87/939104987.db2.gz UUWFIJZZMGJWPL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266397233 939104990 /nfs/dbraw/zinc/10/49/90/939104990.db2.gz UUWFIJZZMGJWPL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266397233 939104991 /nfs/dbraw/zinc/10/49/91/939104991.db2.gz UUWFIJZZMGJWPL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266569920 939167058 /nfs/dbraw/zinc/16/70/58/939167058.db2.gz QPPPWEZSRFNFCO-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001266743591 939225850 /nfs/dbraw/zinc/22/58/50/939225850.db2.gz JRUMLKKPEUNULH-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCOCC[N@@H+](C)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001267204705 939385981 /nfs/dbraw/zinc/38/59/81/939385981.db2.gz JSEURPMHVKOSFK-AWEZNQCLSA-N 2 1 306.410 0.696 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267280331 939413543 /nfs/dbraw/zinc/41/35/43/939413543.db2.gz CBIWJWXAVZTLDH-HOCLYGCPSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267280331 939413544 /nfs/dbraw/zinc/41/35/44/939413544.db2.gz CBIWJWXAVZTLDH-HOCLYGCPSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001267429054 939454165 /nfs/dbraw/zinc/45/41/65/939454165.db2.gz MHURLDJNHQWDSZ-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001267484870 939474862 /nfs/dbraw/zinc/47/48/62/939474862.db2.gz QDEJEKLBDQFZOB-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480975475 939508374 /nfs/dbraw/zinc/50/83/74/939508374.db2.gz VALDQIAANYQMLD-MRXNPFEDSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267576525 939522012 /nfs/dbraw/zinc/52/20/12/939522012.db2.gz ZKKPRIDELROUEL-INIZCTEOSA-N 2 1 308.470 0.590 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001267633684 939603586 /nfs/dbraw/zinc/60/35/86/939603586.db2.gz KDQBBWDKDVXHDR-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001267633684 939603587 /nfs/dbraw/zinc/60/35/87/939603587.db2.gz KDQBBWDKDVXHDR-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001267633684 939603588 /nfs/dbraw/zinc/60/35/88/939603588.db2.gz KDQBBWDKDVXHDR-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001267633684 939603589 /nfs/dbraw/zinc/60/35/89/939603589.db2.gz KDQBBWDKDVXHDR-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001481468944 939884333 /nfs/dbraw/zinc/88/43/33/939884333.db2.gz NEFBAMWZYZMQQL-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001481468944 939884339 /nfs/dbraw/zinc/88/43/39/939884339.db2.gz NEFBAMWZYZMQQL-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001481649232 940008764 /nfs/dbraw/zinc/00/87/64/940008764.db2.gz FRCSLJCYYQVDHV-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001481649232 940008768 /nfs/dbraw/zinc/00/87/68/940008768.db2.gz FRCSLJCYYQVDHV-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC001268283116 940018076 /nfs/dbraw/zinc/01/80/76/940018076.db2.gz YHIDOBXCLISHKJ-GDBMZVCRSA-N 2 1 318.421 0.867 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001481913414 940179977 /nfs/dbraw/zinc/17/99/77/940179977.db2.gz UWKKQMZGBJXHHS-UHFFFAOYSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268790472 940361799 /nfs/dbraw/zinc/36/17/99/940361799.db2.gz GBDORDMFOGMUFZ-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001268895986 940400831 /nfs/dbraw/zinc/40/08/31/940400831.db2.gz GZAWPRRPKDDRDZ-KBPBESRZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001268895986 940400832 /nfs/dbraw/zinc/40/08/32/940400832.db2.gz GZAWPRRPKDDRDZ-KBPBESRZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCN1C[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273144224 945324590 /nfs/dbraw/zinc/32/45/90/945324590.db2.gz OLLZGZUOGWDCDR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCN1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144224 945324599 /nfs/dbraw/zinc/32/45/99/945324599.db2.gz OLLZGZUOGWDCDR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCN1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144224 945324607 /nfs/dbraw/zinc/32/46/07/945324607.db2.gz OLLZGZUOGWDCDR-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269287936 940672187 /nfs/dbraw/zinc/67/21/87/940672187.db2.gz OPTWLKJJCPJWMY-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001269287936 940672189 /nfs/dbraw/zinc/67/21/89/940672189.db2.gz OPTWLKJJCPJWMY-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287936 940672190 /nfs/dbraw/zinc/67/21/90/940672190.db2.gz OPTWLKJJCPJWMY-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001269287936 940672192 /nfs/dbraw/zinc/67/21/92/940672192.db2.gz OPTWLKJJCPJWMY-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC#CCOC ZINC001269417394 940703449 /nfs/dbraw/zinc/70/34/49/940703449.db2.gz HFIQEOCFLVVDDY-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001269981431 940810100 /nfs/dbraw/zinc/81/01/00/940810100.db2.gz LSAOOCCKVLLOTL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001271282119 941341384 /nfs/dbraw/zinc/34/13/84/941341384.db2.gz RUDDISVMNXLQRU-OAHLLOKOSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271282119 941341387 /nfs/dbraw/zinc/34/13/87/941341387.db2.gz RUDDISVMNXLQRU-OAHLLOKOSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001482799227 941674646 /nfs/dbraw/zinc/67/46/46/941674646.db2.gz NYAULVQBKJKRKB-HZPDHXFCSA-N 2 1 303.406 0.379 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001272520336 942799993 /nfs/dbraw/zinc/79/99/93/942799993.db2.gz HGSODYBRZQIBCK-CJNGLKHVSA-N 2 1 313.417 0.289 20 30 DCEDMP C#CCN1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001484196132 943185961 /nfs/dbraw/zinc/18/59/61/943185961.db2.gz PZAXORHNMFMMJN-ZDUSSCGKSA-N 2 1 310.348 0.898 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484234173 943235674 /nfs/dbraw/zinc/23/56/74/943235674.db2.gz SQNIPOXTAGJCPB-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CC=C)C2)CC1 ZINC001484251571 943263115 /nfs/dbraw/zinc/26/31/15/943263115.db2.gz FUAODUUPNJVEKH-KRWDZBQOSA-N 2 1 305.422 0.071 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001484841512 943591418 /nfs/dbraw/zinc/59/14/18/943591418.db2.gz OMVSREPWPNOIJN-ZMSDIMECSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001484997446 943647466 /nfs/dbraw/zinc/64/74/66/943647466.db2.gz SUGFSVBHHUIEOT-ZNMIVQPWSA-N 2 1 324.469 0.646 20 30 DCEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001485482209 943955797 /nfs/dbraw/zinc/95/57/97/943955797.db2.gz JSQKSUIJSHRZFL-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001485482209 943955801 /nfs/dbraw/zinc/95/58/01/943955801.db2.gz JSQKSUIJSHRZFL-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(C#N)cc1 ZINC001491420392 943983600 /nfs/dbraw/zinc/98/36/00/943983600.db2.gz JKMVSUGSSPCBRB-CJNGLKHVSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(C#N)cc1 ZINC001491420392 943983605 /nfs/dbraw/zinc/98/36/05/943983605.db2.gz JKMVSUGSSPCBRB-CJNGLKHVSA-N 2 1 316.405 0.483 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001485604313 944028342 /nfs/dbraw/zinc/02/83/42/944028342.db2.gz VESMAKAJKGWEJF-JONQDZQNSA-N 2 1 309.429 0.984 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cccn1 ZINC001491486684 944036714 /nfs/dbraw/zinc/03/67/14/944036714.db2.gz NGDKMDSBVWHGPA-CABCVRRESA-N 2 1 303.410 0.075 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cccn1 ZINC001491486684 944036720 /nfs/dbraw/zinc/03/67/20/944036720.db2.gz NGDKMDSBVWHGPA-CABCVRRESA-N 2 1 303.410 0.075 20 30 DCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485998388 944472817 /nfs/dbraw/zinc/47/28/17/944472817.db2.gz WNIAVZNWTTVNFF-HUUCEWRRSA-N 2 1 309.454 0.894 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001486182200 944628909 /nfs/dbraw/zinc/62/89/09/944628909.db2.gz XOMQKIIAUZWMMP-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001486182200 944628914 /nfs/dbraw/zinc/62/89/14/944628914.db2.gz XOMQKIIAUZWMMP-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001277140792 944677929 /nfs/dbraw/zinc/67/79/29/944677929.db2.gz KWFOIPMNJKBYCC-ZDUSSCGKSA-N 2 1 308.426 0.011 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001486302309 944747791 /nfs/dbraw/zinc/74/77/91/944747791.db2.gz DKUJBQFTYVCXFP-CQSZACIVSA-N 2 1 306.410 0.439 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317117250 944805189 /nfs/dbraw/zinc/80/51/89/944805189.db2.gz GDMQGNFZTGPQPU-IGQOVBAYSA-N 2 1 308.426 0.008 20 30 DCEDMP C#CCC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001277413755 944811545 /nfs/dbraw/zinc/81/15/45/944811545.db2.gz YWCFCYSUFFCYLU-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001277413755 944811552 /nfs/dbraw/zinc/81/15/52/944811552.db2.gz YWCFCYSUFFCYLU-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001277413755 944811557 /nfs/dbraw/zinc/81/15/57/944811557.db2.gz YWCFCYSUFFCYLU-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001277413756 944812433 /nfs/dbraw/zinc/81/24/33/944812433.db2.gz YWCFCYSUFFCYLU-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001277413756 944812438 /nfs/dbraw/zinc/81/24/38/944812438.db2.gz YWCFCYSUFFCYLU-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001277413756 944812443 /nfs/dbraw/zinc/81/24/43/944812443.db2.gz YWCFCYSUFFCYLU-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001317198279 944847404 /nfs/dbraw/zinc/84/74/04/944847404.db2.gz FAXKXRCROQWRQR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001317198279 944847408 /nfs/dbraw/zinc/84/74/08/944847408.db2.gz FAXKXRCROQWRQR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001317253002 944879491 /nfs/dbraw/zinc/87/94/91/944879491.db2.gz FMGVYGXRQLCZOG-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001317253002 944879498 /nfs/dbraw/zinc/87/94/98/944879498.db2.gz FMGVYGXRQLCZOG-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247003089 945541137 /nfs/dbraw/zinc/54/11/37/945541137.db2.gz NGPGMIMLRNYPRT-KBPBESRZSA-N 2 1 308.426 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1nncs1 ZINC001320755128 946004643 /nfs/dbraw/zinc/00/46/43/946004643.db2.gz AUCCQODDZRMNIY-ZDUSSCGKSA-N 2 1 321.450 0.574 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1nncs1 ZINC001320755128 946004658 /nfs/dbraw/zinc/00/46/58/946004658.db2.gz AUCCQODDZRMNIY-ZDUSSCGKSA-N 2 1 321.450 0.574 20 30 DCEDMP C=C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001253576988 946131493 /nfs/dbraw/zinc/13/14/93/946131493.db2.gz JMQDTIWRZBECAI-RCCFBDPRSA-N 2 1 323.481 0.794 20 30 DCEDMP C=C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001253576988 946131499 /nfs/dbraw/zinc/13/14/99/946131499.db2.gz JMQDTIWRZBECAI-RCCFBDPRSA-N 2 1 323.481 0.794 20 30 DCEDMP C=C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001253576988 946131505 /nfs/dbraw/zinc/13/15/05/946131505.db2.gz JMQDTIWRZBECAI-RCCFBDPRSA-N 2 1 323.481 0.794 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC2CC2)C1 ZINC001273277766 946414710 /nfs/dbraw/zinc/41/47/10/946414710.db2.gz XTPYJHMAOMUHEH-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC2CC2)C1 ZINC001273277766 946414717 /nfs/dbraw/zinc/41/47/17/946414717.db2.gz XTPYJHMAOMUHEH-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001278860561 946495101 /nfs/dbraw/zinc/49/51/01/946495101.db2.gz ZUNMCNDLOZDCGM-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001281006942 946622077 /nfs/dbraw/zinc/62/20/77/946622077.db2.gz RDCMERXCILFATG-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001281006942 946622082 /nfs/dbraw/zinc/62/20/82/946622082.db2.gz RDCMERXCILFATG-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001273323479 946629224 /nfs/dbraw/zinc/62/92/24/946629224.db2.gz NTGQRILVGFPVHE-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001324263374 947370351 /nfs/dbraw/zinc/37/03/51/947370351.db2.gz LEQOJGIWRUSLMW-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCOC)C1 ZINC001324943089 947582841 /nfs/dbraw/zinc/58/28/41/947582841.db2.gz CLSKUYJBCKYAFP-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCOC)C1 ZINC001324943089 947582852 /nfs/dbraw/zinc/58/28/52/947582852.db2.gz CLSKUYJBCKYAFP-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCOC)C1 ZINC001324943089 947582861 /nfs/dbraw/zinc/58/28/61/947582861.db2.gz CLSKUYJBCKYAFP-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCOC)C1 ZINC001324943089 947582868 /nfs/dbraw/zinc/58/28/68/947582868.db2.gz CLSKUYJBCKYAFP-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NCC#N)CC2)CC[N@H+]1C ZINC001325795136 947926671 /nfs/dbraw/zinc/92/66/71/947926671.db2.gz QLLMEMZRAWZQIJ-JKSUJKDBSA-N 2 1 321.469 0.410 20 30 DCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001327602883 948566490 /nfs/dbraw/zinc/56/64/90/948566490.db2.gz IPAOMGUYTKQSGU-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001328174814 948733245 /nfs/dbraw/zinc/73/32/45/948733245.db2.gz LXWOZQVCFGLXGJ-OAHLLOKOSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001264077151 948866564 /nfs/dbraw/zinc/86/65/64/948866564.db2.gz UONKEUGGMQJBQD-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001264077151 948866575 /nfs/dbraw/zinc/86/65/75/948866575.db2.gz UONKEUGGMQJBQD-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001264077151 948866589 /nfs/dbraw/zinc/86/65/89/948866589.db2.gz UONKEUGGMQJBQD-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001264529997 948996546 /nfs/dbraw/zinc/99/65/46/948996546.db2.gz UCYOGSCGUGLBFM-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@H+]1CC#CCOC ZINC001264626924 949032144 /nfs/dbraw/zinc/03/21/44/949032144.db2.gz BSJZWLKUUJZBMX-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[NH+]1CC#CCOC ZINC001264626924 949032165 /nfs/dbraw/zinc/03/21/65/949032165.db2.gz BSJZWLKUUJZBMX-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[NH+]1CC#CCOC ZINC001264626924 949032182 /nfs/dbraw/zinc/03/21/82/949032182.db2.gz BSJZWLKUUJZBMX-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001264631830 949036317 /nfs/dbraw/zinc/03/63/17/949036317.db2.gz CBYPWPGXDZOOJD-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001264631830 949036337 /nfs/dbraw/zinc/03/63/37/949036337.db2.gz CBYPWPGXDZOOJD-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001264631830 949036357 /nfs/dbraw/zinc/03/63/57/949036357.db2.gz CBYPWPGXDZOOJD-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1OCC ZINC001489010521 949432207 /nfs/dbraw/zinc/43/22/07/949432207.db2.gz GWLNOSVKRGLYBC-HZPDHXFCSA-N 2 1 318.421 0.668 20 30 DCEDMP C#CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001329625947 949724776 /nfs/dbraw/zinc/72/47/76/949724776.db2.gz ZLFGRSULPKMMMR-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001265543220 949755594 /nfs/dbraw/zinc/75/55/94/949755594.db2.gz HDCTUXHDPKSNGJ-JONQDZQNSA-N 2 1 307.438 0.482 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001265543220 949755605 /nfs/dbraw/zinc/75/56/05/949755605.db2.gz HDCTUXHDPKSNGJ-JONQDZQNSA-N 2 1 307.438 0.482 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001265663886 949857891 /nfs/dbraw/zinc/85/78/91/949857891.db2.gz MVEQVGJZSYCOMP-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265731407 949905695 /nfs/dbraw/zinc/90/56/95/949905695.db2.gz MKIIGULBVWLCAO-YMAMQOFZSA-N 2 1 322.453 0.400 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001265813431 949964147 /nfs/dbraw/zinc/96/41/47/949964147.db2.gz QVSLRHUMZBKVAT-IHRRRGAJSA-N 2 1 310.442 0.113 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001330362690 950307833 /nfs/dbraw/zinc/30/78/33/950307833.db2.gz GHHYLRZTZORNII-YHUYYLMFSA-N 2 1 307.438 0.435 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001490494363 950746468 /nfs/dbraw/zinc/74/64/68/950746468.db2.gz HAUKRPIKRUOZKF-MRXNPFEDSA-N 2 1 306.454 0.228 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001280152950 950779138 /nfs/dbraw/zinc/77/91/38/950779138.db2.gz OTUBYXUUEASMSA-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001490549145 950810954 /nfs/dbraw/zinc/81/09/54/950810954.db2.gz ZHAZHIJLVXURRJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001490549145 950810968 /nfs/dbraw/zinc/81/09/68/950810968.db2.gz ZHAZHIJLVXURRJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001490549145 950811000 /nfs/dbraw/zinc/81/10/00/950811000.db2.gz ZHAZHIJLVXURRJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001490549145 950811015 /nfs/dbraw/zinc/81/10/15/950811015.db2.gz ZHAZHIJLVXURRJ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551357 950854424 /nfs/dbraw/zinc/85/44/24/950854424.db2.gz SGKQBRVPGOJNHB-KGLIPLIRSA-N 2 1 319.409 0.073 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001331297451 951064408 /nfs/dbraw/zinc/06/44/08/951064408.db2.gz RREGGWKJEBIRLK-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001490777999 951100568 /nfs/dbraw/zinc/10/05/68/951100568.db2.gz USOUBCPONUOITB-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001490777999 951100574 /nfs/dbraw/zinc/10/05/74/951100574.db2.gz USOUBCPONUOITB-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001490777999 951100578 /nfs/dbraw/zinc/10/05/78/951100578.db2.gz USOUBCPONUOITB-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001490777999 951100581 /nfs/dbraw/zinc/10/05/81/951100581.db2.gz USOUBCPONUOITB-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001490777999 951100583 /nfs/dbraw/zinc/10/05/83/951100583.db2.gz USOUBCPONUOITB-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@H](CC)C(N)=O ZINC001280822763 951106641 /nfs/dbraw/zinc/10/66/41/951106641.db2.gz PKWMDHHFZAYQEC-CABCVRRESA-N 2 1 322.453 0.128 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@H](CC)C(N)=O ZINC001280822763 951106647 /nfs/dbraw/zinc/10/66/47/951106647.db2.gz PKWMDHHFZAYQEC-CABCVRRESA-N 2 1 322.453 0.128 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H](CC)C(N)=O ZINC001280822763 951106651 /nfs/dbraw/zinc/10/66/51/951106651.db2.gz PKWMDHHFZAYQEC-CABCVRRESA-N 2 1 322.453 0.128 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H](CC)C(N)=O ZINC001280822763 951106662 /nfs/dbraw/zinc/10/66/62/951106662.db2.gz PKWMDHHFZAYQEC-CABCVRRESA-N 2 1 322.453 0.128 20 30 DCEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001281006940 951219481 /nfs/dbraw/zinc/21/94/81/951219481.db2.gz RDCMERXCILFATG-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001281006940 951219489 /nfs/dbraw/zinc/21/94/89/951219489.db2.gz RDCMERXCILFATG-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP Cn1cncc1CN1C[C@]2(CCN(CCCC#N)C2)OCC1=O ZINC001274040365 951356780 /nfs/dbraw/zinc/35/67/80/951356780.db2.gz MMVXIJAZQDOKAY-MRXNPFEDSA-N 2 1 317.393 0.527 20 30 DCEDMP O=C(NCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1N=CC=CC1=O ZINC001332403748 951632243 /nfs/dbraw/zinc/63/22/43/951632243.db2.gz ZTKYGXHIFKIWER-JFNWPWKYSA-N 2 1 302.378 0.099 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001332437236 951644648 /nfs/dbraw/zinc/64/46/48/951644648.db2.gz LKPIFNQLMWRGFB-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)C ZINC001332523883 951678822 /nfs/dbraw/zinc/67/88/22/951678822.db2.gz YVNSSNVRXMAUDS-CVEARBPZSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)C ZINC001332523883 951678828 /nfs/dbraw/zinc/67/88/28/951678828.db2.gz YVNSSNVRXMAUDS-CVEARBPZSA-N 2 1 309.454 0.539 20 30 DCEDMP C=C[C@](C)(O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274614349 951740024 /nfs/dbraw/zinc/74/00/24/951740024.db2.gz FLVAPXNWGZIKTR-IRXDYDNUSA-N 2 1 323.437 0.326 20 30 DCEDMP C[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001332928799 951855018 /nfs/dbraw/zinc/85/50/18/951855018.db2.gz MVHFWFRGZNVKPQ-OAHLLOKOSA-N 2 1 309.458 0.541 20 30 DCEDMP C=CCn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cn1 ZINC001275381065 952103216 /nfs/dbraw/zinc/10/32/16/952103216.db2.gz FLAXNQAGIKHQEB-SJORKVTESA-N 2 1 319.453 0.516 20 30 DCEDMP C=CCn1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cn1 ZINC001275381065 952103221 /nfs/dbraw/zinc/10/32/21/952103221.db2.gz FLAXNQAGIKHQEB-SJORKVTESA-N 2 1 319.453 0.516 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC001334145711 952247463 /nfs/dbraw/zinc/24/74/63/952247463.db2.gz VFXATJDLAQRZJP-AWEZNQCLSA-N 2 1 318.425 0.664 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC001334145711 952247469 /nfs/dbraw/zinc/24/74/69/952247469.db2.gz VFXATJDLAQRZJP-AWEZNQCLSA-N 2 1 318.425 0.664 20 30 DCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001335439132 952536799 /nfs/dbraw/zinc/53/67/99/952536799.db2.gz ATSLRANFLNRAHZ-INIZCTEOSA-N 2 1 310.438 0.356 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001336894216 952780907 /nfs/dbraw/zinc/78/09/07/952780907.db2.gz MNJXLHFQKPOAND-NEPJUHHUSA-N 2 1 320.359 0.863 20 30 DCEDMP C=CC[C@]1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCC[NH2+]1 ZINC001342697257 953303043 /nfs/dbraw/zinc/30/30/43/953303043.db2.gz ZKWRYEYFVWCMJV-ZMSDIMECSA-N 2 1 307.438 0.742 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001281808805 953370908 /nfs/dbraw/zinc/37/09/08/953370908.db2.gz RSIWXIYCUVKHMB-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH2+]CC(=O)N1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001345190109 953612023 /nfs/dbraw/zinc/61/20/23/953612023.db2.gz DAPRQGXALQSGDO-HUUCEWRRSA-N 2 1 313.401 0.718 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001282675365 953646378 /nfs/dbraw/zinc/64/63/78/953646378.db2.gz KYPPFQUMGMDFLR-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001284313082 955005193 /nfs/dbraw/zinc/00/51/93/955005193.db2.gz NMIKDPINFVCPPP-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284492766 955127298 /nfs/dbraw/zinc/12/72/98/955127298.db2.gz MJPMLVUTNMCCCA-CVEARBPZSA-N 2 1 309.454 0.655 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cncn1C ZINC001284517156 955151414 /nfs/dbraw/zinc/15/14/14/955151414.db2.gz SDCBVDUEZKUDPU-OAHLLOKOSA-N 2 1 306.410 0.127 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001285662219 955890447 /nfs/dbraw/zinc/89/04/47/955890447.db2.gz QISSXANESPXYOX-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001285662219 955890459 /nfs/dbraw/zinc/89/04/59/955890459.db2.gz QISSXANESPXYOX-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492257389 959764287 /nfs/dbraw/zinc/76/42/87/959764287.db2.gz OGYIUZZGHQMUMF-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492257389 959764297 /nfs/dbraw/zinc/76/42/97/959764297.db2.gz OGYIUZZGHQMUMF-UKRRQHHQSA-N 2 1 322.453 0.067 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316824407 960394979 /nfs/dbraw/zinc/39/49/79/960394979.db2.gz RACINLOEJXIITD-MRXNPFEDSA-N 2 1 307.438 0.416 20 30 DCEDMP C[N@H+]1CCC[C@H](N2CCN(C[C@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359264 962955987 /nfs/dbraw/zinc/95/59/87/962955987.db2.gz SAWZNEVDDOHNRV-JKSUJKDBSA-N 2 1 306.454 0.753 20 30 DCEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359264 962956006 /nfs/dbraw/zinc/95/60/06/962956006.db2.gz SAWZNEVDDOHNRV-JKSUJKDBSA-N 2 1 306.454 0.753 20 30 DCEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359264 962956017 /nfs/dbraw/zinc/95/60/17/962956017.db2.gz SAWZNEVDDOHNRV-JKSUJKDBSA-N 2 1 306.454 0.753 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001502829942 1016091041 /nfs/dbraw/zinc/09/10/41/1016091041.db2.gz BDOCWIZBCMURGP-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001502829942 1016091047 /nfs/dbraw/zinc/09/10/47/1016091047.db2.gz BDOCWIZBCMURGP-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001502829942 1016091053 /nfs/dbraw/zinc/09/10/53/1016091053.db2.gz BDOCWIZBCMURGP-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001502835906 1016093414 /nfs/dbraw/zinc/09/34/14/1016093414.db2.gz DLGGBKKDCPOJSD-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP CC(C)[C@@H](CNC(=O)NCC#CC[NH+](C)C)[NH+]1CCOCC1 ZINC001467939580 1016209931 /nfs/dbraw/zinc/20/99/31/1016209931.db2.gz MAGUXGQSWDGOOI-OAHLLOKOSA-N 2 1 310.442 0.207 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001507503450 1016427869 /nfs/dbraw/zinc/42/78/69/1016427869.db2.gz CBQNNZCPFFXBGV-XJKSGUPXSA-N 2 1 313.417 0.241 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001508231096 1016725082 /nfs/dbraw/zinc/72/50/82/1016725082.db2.gz WDUHMLKNBNQVDW-MRXNPFEDSA-N 2 1 319.449 0.726 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001423541177 1011232965 /nfs/dbraw/zinc/23/29/65/1011232965.db2.gz CRQOWOZKSKQXAQ-QWHCGFSZSA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001423541177 1011232979 /nfs/dbraw/zinc/23/29/79/1011232979.db2.gz CRQOWOZKSKQXAQ-QWHCGFSZSA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423541177 1011232992 /nfs/dbraw/zinc/23/29/92/1011232992.db2.gz CRQOWOZKSKQXAQ-QWHCGFSZSA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423541177 1011233006 /nfs/dbraw/zinc/23/30/06/1011233006.db2.gz CRQOWOZKSKQXAQ-QWHCGFSZSA-N 2 1 303.834 0.442 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001506752176 1017509583 /nfs/dbraw/zinc/50/95/83/1017509583.db2.gz HUTUQBROEOOGAN-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](CC=C)CCO)C1 ZINC001479654644 1017632372 /nfs/dbraw/zinc/63/23/72/1017632372.db2.gz MZMKHMNOIJZYAU-IRXDYDNUSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](CC=C)CCO)C1 ZINC001479654644 1017632380 /nfs/dbraw/zinc/63/23/80/1017632380.db2.gz MZMKHMNOIJZYAU-IRXDYDNUSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CC=C)CCO)C1 ZINC001479654644 1017632389 /nfs/dbraw/zinc/63/23/89/1017632389.db2.gz MZMKHMNOIJZYAU-IRXDYDNUSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CC=C)CCO)C1 ZINC001479654644 1017632394 /nfs/dbraw/zinc/63/23/94/1017632394.db2.gz MZMKHMNOIJZYAU-IRXDYDNUSA-N 2 1 319.449 0.555 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494723304 1017980830 /nfs/dbraw/zinc/98/08/30/1017980830.db2.gz WVXCAIHIBIYJSD-QLFBSQMISA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494723304 1017980843 /nfs/dbraw/zinc/98/08/43/1017980843.db2.gz WVXCAIHIBIYJSD-QLFBSQMISA-N 2 1 324.469 0.454 20 30 DCEDMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001494919993 1018155299 /nfs/dbraw/zinc/15/52/99/1018155299.db2.gz TVPQEVVAUHPYCA-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001494919993 1018155306 /nfs/dbraw/zinc/15/53/06/1018155306.db2.gz TVPQEVVAUHPYCA-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001494919993 1018155312 /nfs/dbraw/zinc/15/53/12/1018155312.db2.gz TVPQEVVAUHPYCA-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001500740720 1018620577 /nfs/dbraw/zinc/62/05/77/1018620577.db2.gz QOECXPWMOAISRU-INIZCTEOSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001500740720 1018620581 /nfs/dbraw/zinc/62/05/81/1018620581.db2.gz QOECXPWMOAISRU-INIZCTEOSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001501193809 1018939356 /nfs/dbraw/zinc/93/93/56/1018939356.db2.gz QVBFYCQYNSQAEA-QGZVFWFLSA-N 2 1 315.417 0.569 20 30 DCEDMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001501193809 1018939371 /nfs/dbraw/zinc/93/93/71/1018939371.db2.gz QVBFYCQYNSQAEA-QGZVFWFLSA-N 2 1 315.417 0.569 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001496136048 1019103225 /nfs/dbraw/zinc/10/32/25/1019103225.db2.gz CWKJNPFLQFPVPA-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001493300347 1019305899 /nfs/dbraw/zinc/30/58/99/1019305899.db2.gz KCYYBEUYQKFIAD-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001493300347 1019305909 /nfs/dbraw/zinc/30/59/09/1019305909.db2.gz KCYYBEUYQKFIAD-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001493300347 1019305918 /nfs/dbraw/zinc/30/59/18/1019305918.db2.gz KCYYBEUYQKFIAD-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496431327 1019307658 /nfs/dbraw/zinc/30/76/58/1019307658.db2.gz WEARAKSESQKARX-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001660934177 1174070796 /nfs/dbraw/zinc/07/07/96/1174070796.db2.gz DUTDRWKZMTVDOM-HOTGVXAUSA-N 2 1 308.470 0.637 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001661038372 1174090612 /nfs/dbraw/zinc/09/06/12/1174090612.db2.gz JIDRXLJYVGSGFM-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001661038372 1174090620 /nfs/dbraw/zinc/09/06/20/1174090620.db2.gz JIDRXLJYVGSGFM-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001661038372 1174090626 /nfs/dbraw/zinc/09/06/26/1174090626.db2.gz JIDRXLJYVGSGFM-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001661038372 1174090631 /nfs/dbraw/zinc/09/06/31/1174090631.db2.gz JIDRXLJYVGSGFM-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](CC)OC)C1 ZINC001661317883 1174116068 /nfs/dbraw/zinc/11/60/68/1174116068.db2.gz HKQVTLKUONDLEZ-JYJNAYRXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](CC)OC)C1 ZINC001661317883 1174116070 /nfs/dbraw/zinc/11/60/70/1174116070.db2.gz HKQVTLKUONDLEZ-JYJNAYRXSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001663538094 1174317341 /nfs/dbraw/zinc/31/73/41/1174317341.db2.gz YAKOAZHHMJQMRK-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP Cc1cnccc1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000269946905 238262389 /nfs/dbraw/zinc/26/23/89/238262389.db2.gz HVQLNKKZDIXUGF-UHFFFAOYSA-N 2 1 305.426 0.559 20 30 DCEDMP C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000348576764 238911314 /nfs/dbraw/zinc/91/13/14/238911314.db2.gz PBLFZNUOCJHHTO-OAHLLOKOSA-N 2 1 309.458 0.316 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000491703392 533102847 /nfs/dbraw/zinc/10/28/47/533102847.db2.gz JNJGZUPIBRZDCK-MRXNPFEDSA-N 2 1 315.421 0.693 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000491703392 533102861 /nfs/dbraw/zinc/10/28/61/533102861.db2.gz JNJGZUPIBRZDCK-MRXNPFEDSA-N 2 1 315.421 0.693 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000491252350 533103037 /nfs/dbraw/zinc/10/30/37/533103037.db2.gz HNVAWSYPMLOPJC-OAHLLOKOSA-N 2 1 312.483 0.678 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000491703388 533104281 /nfs/dbraw/zinc/10/42/81/533104281.db2.gz JNJGZUPIBRZDCK-INIZCTEOSA-N 2 1 315.421 0.693 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000491703388 533104283 /nfs/dbraw/zinc/10/42/83/533104283.db2.gz JNJGZUPIBRZDCK-INIZCTEOSA-N 2 1 315.421 0.693 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@H](C)C#N ZINC000352412729 285282381 /nfs/dbraw/zinc/28/23/81/285282381.db2.gz IHRFMFMKOKEWDS-KGLIPLIRSA-N 2 1 316.471 0.576 20 30 DCEDMP CN(CCC#N)C(=O)CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180960625 396236468 /nfs/dbraw/zinc/23/64/68/396236468.db2.gz MZVMJWNEFLLGDE-UHFFFAOYSA-N 2 1 323.485 0.706 20 30 DCEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174728362 416085879 /nfs/dbraw/zinc/08/58/79/416085879.db2.gz DZQMJXCAVAYIFY-KRWDZBQOSA-N 2 1 323.485 0.610 20 30 DCEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174728362 416085880 /nfs/dbraw/zinc/08/58/80/416085880.db2.gz DZQMJXCAVAYIFY-KRWDZBQOSA-N 2 1 323.485 0.610 20 30 DCEDMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000329652817 416183501 /nfs/dbraw/zinc/18/35/01/416183501.db2.gz DNQISVIYZIQRCC-ZNMIVQPWSA-N 2 1 310.442 0.838 20 30 DCEDMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000329652817 416183505 /nfs/dbraw/zinc/18/35/05/416183505.db2.gz DNQISVIYZIQRCC-ZNMIVQPWSA-N 2 1 310.442 0.838 20 30 DCEDMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000329652817 416183506 /nfs/dbraw/zinc/18/35/06/416183506.db2.gz DNQISVIYZIQRCC-ZNMIVQPWSA-N 2 1 310.442 0.838 20 30 DCEDMP CCOCC[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H]1CC ZINC000424142121 416615791 /nfs/dbraw/zinc/61/57/91/416615791.db2.gz HXDXLGXPIUUDDS-LSDHHAIUSA-N 2 1 310.442 0.967 20 30 DCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000491809424 416632367 /nfs/dbraw/zinc/63/23/67/416632367.db2.gz XJMKBKLQRQMOTO-MRXNPFEDSA-N 2 1 306.454 0.226 20 30 DCEDMP N#CCCN(CCN1CCOCC1)CC[N@H+]1CCCOCC1 ZINC000429677209 338087131 /nfs/dbraw/zinc/08/71/31/338087131.db2.gz AETOLSOCITZUAU-UHFFFAOYSA-N 2 1 310.442 0.257 20 30 DCEDMP N#CCSCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000080628252 341274297 /nfs/dbraw/zinc/27/42/97/341274297.db2.gz YGVAWAAJSRLQSE-UHFFFAOYSA-N 2 1 310.467 0.873 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001566532838 1160042652 /nfs/dbraw/zinc/04/26/52/1160042652.db2.gz IXMXPIZAHAAJMR-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001569560948 1161149884 /nfs/dbraw/zinc/14/98/84/1161149884.db2.gz LLJNOYLQBACCQW-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001569735947 1161212371 /nfs/dbraw/zinc/21/23/71/1161212371.db2.gz LIBHRAUROKAPQM-UHFFFAOYSA-N 2 1 304.394 0.470 20 30 DCEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCN(c2ncccn2)CC1 ZINC000262601019 526353948 /nfs/dbraw/zinc/35/39/48/526353948.db2.gz YNECRNVIVCTONA-UHFFFAOYSA-N 2 1 317.441 0.268 20 30 DCEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCN(c2ncccn2)CC1 ZINC000262601019 526353954 /nfs/dbraw/zinc/35/39/54/526353954.db2.gz YNECRNVIVCTONA-UHFFFAOYSA-N 2 1 317.441 0.268 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000154344484 526382658 /nfs/dbraw/zinc/38/26/58/526382658.db2.gz RXYARGIWTJEHSD-QWRGUYRKSA-N 2 1 319.409 0.669 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1CCCS1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000261992815 528809489 /nfs/dbraw/zinc/80/94/89/528809489.db2.gz RTMDBJMLIYBXBS-KBPBESRZSA-N 2 1 313.515 0.683 20 30 DCEDMP CC[NH+]=C(NCc1nc(C)no1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261819955 528818548 /nfs/dbraw/zinc/81/85/48/528818548.db2.gz UJMDMHZWYHMTGO-ZWNOBZJWSA-N 2 1 306.414 0.916 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979076645 660655990 /nfs/dbraw/zinc/65/59/90/660655990.db2.gz ZGUQALYRKBZNJC-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979076645 660655991 /nfs/dbraw/zinc/65/59/91/660655991.db2.gz ZGUQALYRKBZNJC-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979076645 660655992 /nfs/dbraw/zinc/65/59/92/660655992.db2.gz ZGUQALYRKBZNJC-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979076645 660655993 /nfs/dbraw/zinc/65/59/93/660655993.db2.gz ZGUQALYRKBZNJC-JONQDZQNSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]32)CC1 ZINC000979088066 660659586 /nfs/dbraw/zinc/65/95/86/660659586.db2.gz LPBZXAWEWLUDNQ-DZUCGIPZSA-N 2 1 319.449 0.006 20 30 DCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645813 661189157 /nfs/dbraw/zinc/18/91/57/661189157.db2.gz FENGBQXLDHDOGB-ISXOHVOVSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645813 661189158 /nfs/dbraw/zinc/18/91/58/661189158.db2.gz FENGBQXLDHDOGB-ISXOHVOVSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645813 661189159 /nfs/dbraw/zinc/18/91/59/661189159.db2.gz FENGBQXLDHDOGB-ISXOHVOVSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645813 661189160 /nfs/dbraw/zinc/18/91/60/661189160.db2.gz FENGBQXLDHDOGB-ISXOHVOVSA-N 2 1 303.406 0.017 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020406217 657526588 /nfs/dbraw/zinc/52/65/88/657526588.db2.gz NEXHUVLRQGTLMQ-WHJSIAKGSA-N 2 1 305.422 0.663 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673990 657550179 /nfs/dbraw/zinc/55/01/79/657550179.db2.gz MAULLAZGHIJBDZ-IRXDYDNUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000971673990 657550186 /nfs/dbraw/zinc/55/01/86/657550186.db2.gz MAULLAZGHIJBDZ-IRXDYDNUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001022221035 657567733 /nfs/dbraw/zinc/56/77/33/657567733.db2.gz VWCVUBVTTOQIPA-NCOADZHNSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001022221035 657567736 /nfs/dbraw/zinc/56/77/36/657567736.db2.gz VWCVUBVTTOQIPA-NCOADZHNSA-N 2 1 319.449 0.747 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552282 657981667 /nfs/dbraw/zinc/98/16/67/657981667.db2.gz CMOAXAYIQWTJMN-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552282 657981672 /nfs/dbraw/zinc/98/16/72/657981672.db2.gz CMOAXAYIQWTJMN-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023552282 657981677 /nfs/dbraw/zinc/98/16/77/657981677.db2.gz CMOAXAYIQWTJMN-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295134 658533084 /nfs/dbraw/zinc/53/30/84/658533084.db2.gz QYTSNOQKSSPSEA-DOTOQJQBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972295134 658533090 /nfs/dbraw/zinc/53/30/90/658533090.db2.gz QYTSNOQKSSPSEA-DOTOQJQBSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972294841 658533678 /nfs/dbraw/zinc/53/36/78/658533678.db2.gz OBNDNVHPGWQQAD-RDJZCZTQSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972294841 658533680 /nfs/dbraw/zinc/53/36/80/658533680.db2.gz OBNDNVHPGWQQAD-RDJZCZTQSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972294841 658533686 /nfs/dbraw/zinc/53/36/86/658533686.db2.gz OBNDNVHPGWQQAD-RDJZCZTQSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972294841 658533691 /nfs/dbraw/zinc/53/36/91/658533691.db2.gz OBNDNVHPGWQQAD-RDJZCZTQSA-N 2 1 305.422 0.407 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000972314348 658554759 /nfs/dbraw/zinc/55/47/59/658554759.db2.gz CNQMLFZKVJOMGI-RDJZCZTQSA-N 2 1 323.437 0.196 20 30 DCEDMP C=CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000972314348 658554763 /nfs/dbraw/zinc/55/47/63/658554763.db2.gz CNQMLFZKVJOMGI-RDJZCZTQSA-N 2 1 323.437 0.196 20 30 DCEDMP C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437414 658768421 /nfs/dbraw/zinc/76/84/21/658768421.db2.gz KBNBIPROOHMQJQ-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437414 658768426 /nfs/dbraw/zinc/76/84/26/658768426.db2.gz KBNBIPROOHMQJQ-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437414 658768430 /nfs/dbraw/zinc/76/84/30/658768430.db2.gz KBNBIPROOHMQJQ-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972437414 658768440 /nfs/dbraw/zinc/76/84/40/658768440.db2.gz KBNBIPROOHMQJQ-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)COC)C2)CC1 ZINC001009629018 659439385 /nfs/dbraw/zinc/43/93/85/659439385.db2.gz QZGCKQXDKIEXRE-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999767485 665681525 /nfs/dbraw/zinc/68/15/25/665681525.db2.gz YBRZQEAKTBHUBQ-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781815 659556391 /nfs/dbraw/zinc/55/63/91/659556391.db2.gz RRMRSXJJSSJIAC-ALYAQQCSSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781815 659556392 /nfs/dbraw/zinc/55/63/92/659556392.db2.gz RRMRSXJJSSJIAC-ALYAQQCSSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781815 659556399 /nfs/dbraw/zinc/55/63/99/659556399.db2.gz RRMRSXJJSSJIAC-ALYAQQCSSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001028643734 661716261 /nfs/dbraw/zinc/71/62/61/661716261.db2.gz RJTNCAZZLPSKNE-GJZGRUSLSA-N 2 1 300.406 0.907 20 30 DCEDMP CC#CC[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983046654 661745758 /nfs/dbraw/zinc/74/57/58/661745758.db2.gz GVNJXWGSIAWVCV-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[N@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983046654 661745761 /nfs/dbraw/zinc/74/57/61/661745761.db2.gz GVNJXWGSIAWVCV-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028757785 661808704 /nfs/dbraw/zinc/80/87/04/661808704.db2.gz JFFXJTKQPGGEQP-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757785 661808705 /nfs/dbraw/zinc/80/87/05/661808705.db2.gz JFFXJTKQPGGEQP-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757785 661808706 /nfs/dbraw/zinc/80/87/06/661808706.db2.gz JFFXJTKQPGGEQP-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000895056055 662054449 /nfs/dbraw/zinc/05/44/49/662054449.db2.gz AXJABSZNSYNDTF-HZPDHXFCSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895056055 662054452 /nfs/dbraw/zinc/05/44/52/662054452.db2.gz AXJABSZNSYNDTF-HZPDHXFCSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000895056055 662054453 /nfs/dbraw/zinc/05/44/53/662054453.db2.gz AXJABSZNSYNDTF-HZPDHXFCSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000985543752 662476288 /nfs/dbraw/zinc/47/62/88/662476288.db2.gz RMMDWGWQWGGYDG-BFHRDPOASA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000985543752 662476289 /nfs/dbraw/zinc/47/62/89/662476289.db2.gz RMMDWGWQWGGYDG-BFHRDPOASA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000985543752 662476290 /nfs/dbraw/zinc/47/62/90/662476290.db2.gz RMMDWGWQWGGYDG-BFHRDPOASA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@H](C)COC)CC2)CC1 ZINC000989735325 662974562 /nfs/dbraw/zinc/97/45/62/662974562.db2.gz YBSYHJRIFHNCPD-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000911750302 664105840 /nfs/dbraw/zinc/10/58/40/664105840.db2.gz ABUNCCDVGNLBBU-CYBMUJFWSA-N 2 1 315.373 0.757 20 30 DCEDMP CC(C)[C@H](C(=O)NCC#CC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000913517486 664337139 /nfs/dbraw/zinc/33/71/39/664337139.db2.gz CFGIOXKIDVPUDV-OWCLPIDISA-N 2 1 309.454 0.801 20 30 DCEDMP CC(C)[C@H](C(=O)NCC#CC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000913517486 664337142 /nfs/dbraw/zinc/33/71/42/664337142.db2.gz CFGIOXKIDVPUDV-OWCLPIDISA-N 2 1 309.454 0.801 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(CC)CCO3)CCC[C@H]12 ZINC000992490144 664727196 /nfs/dbraw/zinc/72/71/96/664727196.db2.gz CMUQMNSQCUEMIA-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992490144 664727197 /nfs/dbraw/zinc/72/71/97/664727197.db2.gz CMUQMNSQCUEMIA-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992490144 664727198 /nfs/dbraw/zinc/72/71/98/664727198.db2.gz CMUQMNSQCUEMIA-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992490144 664727199 /nfs/dbraw/zinc/72/71/99/664727199.db2.gz CMUQMNSQCUEMIA-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992490144 664727200 /nfs/dbraw/zinc/72/72/00/664727200.db2.gz CMUQMNSQCUEMIA-SOLBZPMBSA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941544989 666017895 /nfs/dbraw/zinc/01/78/95/666017895.db2.gz GQAQLDIJUKZFDP-UHFFFAOYSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567271 666020518 /nfs/dbraw/zinc/02/05/18/666020518.db2.gz PWTPFMYBQRNEIW-NVXWUHKLSA-N 2 1 320.481 0.589 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941567042 666024334 /nfs/dbraw/zinc/02/43/34/666024334.db2.gz PCGQJUOIRYHQHV-WBVHZDCISA-N 2 1 318.465 0.036 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567042 666024336 /nfs/dbraw/zinc/02/43/36/666024336.db2.gz PCGQJUOIRYHQHV-WBVHZDCISA-N 2 1 318.465 0.036 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083961 666497199 /nfs/dbraw/zinc/49/71/99/666497199.db2.gz CRPJRNVIOMQBCQ-HNNXBMFYSA-N 2 1 317.437 0.614 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001691314050 1157639343 /nfs/dbraw/zinc/63/93/43/1157639343.db2.gz FSDORANEMNWVHY-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2C)CC1 ZINC000945178667 666577304 /nfs/dbraw/zinc/57/73/04/666577304.db2.gz FZORXFCTOSIUQL-RDJZCZTQSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996185996 666746289 /nfs/dbraw/zinc/74/62/89/666746289.db2.gz IFRHPMCBYULBKC-CABCVRRESA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996185996 666746290 /nfs/dbraw/zinc/74/62/90/666746290.db2.gz IFRHPMCBYULBKC-CABCVRRESA-N 2 1 307.438 0.555 20 30 DCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005427432 666856373 /nfs/dbraw/zinc/85/63/73/666856373.db2.gz WSNKHOQAZXCVPA-HOTGVXAUSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001034693578 667112124 /nfs/dbraw/zinc/11/21/24/667112124.db2.gz DKWNNIVBZYGRCN-DSZOFWSKSA-N 2 1 317.433 0.500 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408818 667182383 /nfs/dbraw/zinc/18/23/83/667182383.db2.gz JTCPZSNWFCUPGB-GJZGRUSLSA-N 2 1 315.421 0.367 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408818 667182386 /nfs/dbraw/zinc/18/23/86/667182386.db2.gz JTCPZSNWFCUPGB-GJZGRUSLSA-N 2 1 315.421 0.367 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001035374582 667310466 /nfs/dbraw/zinc/31/04/66/667310466.db2.gz CFMWRMGAZHHLIR-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035374582 667310469 /nfs/dbraw/zinc/31/04/69/667310469.db2.gz CFMWRMGAZHHLIR-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035374582 667310473 /nfs/dbraw/zinc/31/04/73/667310473.db2.gz CFMWRMGAZHHLIR-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035374582 667310475 /nfs/dbraw/zinc/31/04/75/667310475.db2.gz CFMWRMGAZHHLIR-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000884197069 667495785 /nfs/dbraw/zinc/49/57/85/667495785.db2.gz JIEREPTYZZYKHS-GOEBONIOSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000884197069 667495788 /nfs/dbraw/zinc/49/57/88/667495788.db2.gz JIEREPTYZZYKHS-GOEBONIOSA-N 2 1 324.494 0.821 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377846 667520449 /nfs/dbraw/zinc/52/04/49/667520449.db2.gz PZJHCGXXLGYGEW-JYJNAYRXSA-N 2 1 322.453 0.534 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377844 667520809 /nfs/dbraw/zinc/52/08/09/667520809.db2.gz PZJHCGXXLGYGEW-ARFHVFGLSA-N 2 1 322.453 0.534 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838624275 667701542 /nfs/dbraw/zinc/70/15/42/667701542.db2.gz POPVQGAVKJSHMX-INIZCTEOSA-N 2 1 322.453 0.448 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838624275 667701543 /nfs/dbraw/zinc/70/15/43/667701543.db2.gz POPVQGAVKJSHMX-INIZCTEOSA-N 2 1 322.453 0.448 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000752101148 668013470 /nfs/dbraw/zinc/01/34/70/668013470.db2.gz HHBYELGDLANAEH-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000752101148 668013471 /nfs/dbraw/zinc/01/34/71/668013471.db2.gz HHBYELGDLANAEH-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926153186 668379730 /nfs/dbraw/zinc/37/97/30/668379730.db2.gz MROBEAYWCTYFLZ-KCYZZUKISA-N 2 1 309.454 0.700 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000876712749 668492845 /nfs/dbraw/zinc/49/28/45/668492845.db2.gz JIJZOKFJOBAYFF-CHWSQXEVSA-N 2 1 303.834 0.929 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000876780076 668509754 /nfs/dbraw/zinc/50/97/54/668509754.db2.gz CJYPDSILZPVKMW-ZDUSSCGKSA-N 2 1 302.850 0.600 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC000949189562 670283544 /nfs/dbraw/zinc/28/35/44/670283544.db2.gz ZDBYEJYELOZHDA-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#C[C@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000854776283 670630956 /nfs/dbraw/zinc/63/09/56/670630956.db2.gz DDAZJFWJDWWAIK-OAHLLOKOSA-N 2 1 307.438 0.293 20 30 DCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000819062775 671090737 /nfs/dbraw/zinc/09/07/37/671090737.db2.gz SWASCYPVHWJJBW-DLBZAZTESA-N 2 1 324.469 0.426 20 30 DCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872704 671181584 /nfs/dbraw/zinc/18/15/84/671181584.db2.gz KJEAQBGHDNINIS-MRXNPFEDSA-N 2 1 320.481 0.379 20 30 DCEDMP C#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000843269470 672077656 /nfs/dbraw/zinc/07/76/56/672077656.db2.gz NOHZTBBTHHCEAK-CABCVRRESA-N 2 1 305.422 0.801 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001020250884 693745770 /nfs/dbraw/zinc/74/57/70/693745770.db2.gz VSSOLHOKSQRFCT-VQHPVUNQSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001020250884 693745774 /nfs/dbraw/zinc/74/57/74/693745774.db2.gz VSSOLHOKSQRFCT-VQHPVUNQSA-N 2 1 319.449 0.890 20 30 DCEDMP [NH2+]=C(NCCC[C@@H]1CCCCO1)NCCC[NH+]1CCOCC1 ZINC000305835937 685217741 /nfs/dbraw/zinc/21/77/41/685217741.db2.gz WTJMTXWPZIJOQT-HNNXBMFYSA-N 2 1 312.458 0.962 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038530467 694106971 /nfs/dbraw/zinc/10/69/71/694106971.db2.gz ADVGWPVSUOKBKJ-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038530467 694106974 /nfs/dbraw/zinc/10/69/74/694106974.db2.gz ADVGWPVSUOKBKJ-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038530467 694106976 /nfs/dbraw/zinc/10/69/76/694106976.db2.gz ADVGWPVSUOKBKJ-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038530467 694106979 /nfs/dbraw/zinc/10/69/79/694106979.db2.gz ADVGWPVSUOKBKJ-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171746 687403337 /nfs/dbraw/zinc/40/33/37/687403337.db2.gz LERXYJFRGLJBBL-GJZGRUSLSA-N 2 1 307.438 0.457 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958590972 687779349 /nfs/dbraw/zinc/77/93/49/687779349.db2.gz DIQCANDZFZJGNR-HUUCEWRRSA-N 2 1 307.438 0.457 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC000958724798 687877908 /nfs/dbraw/zinc/87/79/08/687877908.db2.gz STJVNLSQPMSUOF-SJORKVTESA-N 2 1 319.449 0.151 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC000958724796 687878006 /nfs/dbraw/zinc/87/80/06/687878006.db2.gz STJVNLSQPMSUOF-IAGOWNOFSA-N 2 1 319.449 0.151 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=C)C)C[C@H]32)CC1 ZINC000962784771 688979391 /nfs/dbraw/zinc/97/93/91/688979391.db2.gz ZHLFUMOZUZCXCH-FVQHAEBGSA-N 2 1 301.434 0.954 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2C)CC1 ZINC000968682777 690365461 /nfs/dbraw/zinc/36/54/61/690365461.db2.gz UJUMHRQRBWSGRZ-GOEBONIOSA-N 2 1 307.438 0.151 20 30 DCEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796646 690393116 /nfs/dbraw/zinc/39/31/16/690393116.db2.gz MAAWLJFSZZZLOZ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796646 690393120 /nfs/dbraw/zinc/39/31/20/690393120.db2.gz MAAWLJFSZZZLOZ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968796646 690393123 /nfs/dbraw/zinc/39/31/23/690393123.db2.gz MAAWLJFSZZZLOZ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968796646 690393125 /nfs/dbraw/zinc/39/31/25/690393125.db2.gz MAAWLJFSZZZLOZ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007987492 690784305 /nfs/dbraw/zinc/78/43/05/690784305.db2.gz CDAAHWDCUVJOIH-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007987492 690784308 /nfs/dbraw/zinc/78/43/08/690784308.db2.gz CDAAHWDCUVJOIH-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007987492 690784310 /nfs/dbraw/zinc/78/43/10/690784310.db2.gz CDAAHWDCUVJOIH-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008279827 690831858 /nfs/dbraw/zinc/83/18/58/690831858.db2.gz JTWGYAYZNRMDHK-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008279827 690831862 /nfs/dbraw/zinc/83/18/62/690831862.db2.gz JTWGYAYZNRMDHK-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279827 690831865 /nfs/dbraw/zinc/83/18/65/690831865.db2.gz JTWGYAYZNRMDHK-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279827 690831870 /nfs/dbraw/zinc/83/18/70/690831870.db2.gz JTWGYAYZNRMDHK-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621612 692367548 /nfs/dbraw/zinc/36/75/48/692367548.db2.gz HMFPTGQTBZLUFI-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621612 692367551 /nfs/dbraw/zinc/36/75/51/692367551.db2.gz HMFPTGQTBZLUFI-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621611 692368061 /nfs/dbraw/zinc/36/80/61/692368061.db2.gz HMFPTGQTBZLUFI-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621611 692368065 /nfs/dbraw/zinc/36/80/65/692368065.db2.gz HMFPTGQTBZLUFI-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706740 692407600 /nfs/dbraw/zinc/40/76/00/692407600.db2.gz XMLZGMDQCBMESS-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706740 692407602 /nfs/dbraw/zinc/40/76/02/692407602.db2.gz XMLZGMDQCBMESS-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017569503 692940563 /nfs/dbraw/zinc/94/05/63/692940563.db2.gz NBEIMVFFALZPJB-VVLHAWIVSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017569503 692940566 /nfs/dbraw/zinc/94/05/66/692940566.db2.gz NBEIMVFFALZPJB-VVLHAWIVSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569503 692940569 /nfs/dbraw/zinc/94/05/69/692940569.db2.gz NBEIMVFFALZPJB-VVLHAWIVSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569503 692940573 /nfs/dbraw/zinc/94/05/73/692940573.db2.gz NBEIMVFFALZPJB-VVLHAWIVSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072914111 694683349 /nfs/dbraw/zinc/68/33/49/694683349.db2.gz VBLKVXDTVLOJQW-MRXNPFEDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914111 694683350 /nfs/dbraw/zinc/68/33/50/694683350.db2.gz VBLKVXDTVLOJQW-MRXNPFEDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914111 694683351 /nfs/dbraw/zinc/68/33/51/694683351.db2.gz VBLKVXDTVLOJQW-MRXNPFEDSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660422 694761222 /nfs/dbraw/zinc/76/12/22/694761222.db2.gz DQFWPVVNGASRMO-QLFBSQMISA-N 2 1 311.426 0.099 20 30 DCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660422 694761223 /nfs/dbraw/zinc/76/12/23/694761223.db2.gz DQFWPVVNGASRMO-QLFBSQMISA-N 2 1 311.426 0.099 20 30 DCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660422 694761225 /nfs/dbraw/zinc/76/12/25/694761225.db2.gz DQFWPVVNGASRMO-QLFBSQMISA-N 2 1 311.426 0.099 20 30 DCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660422 694761226 /nfs/dbraw/zinc/76/12/26/694761226.db2.gz DQFWPVVNGASRMO-QLFBSQMISA-N 2 1 311.426 0.099 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070732 694997010 /nfs/dbraw/zinc/99/70/10/694997010.db2.gz YXRYNLGZQXEOND-SYGRHNPNSA-N 2 1 317.433 0.568 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070732 694997011 /nfs/dbraw/zinc/99/70/11/694997011.db2.gz YXRYNLGZQXEOND-SYGRHNPNSA-N 2 1 317.433 0.568 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070732 694997012 /nfs/dbraw/zinc/99/70/12/694997012.db2.gz YXRYNLGZQXEOND-SYGRHNPNSA-N 2 1 317.433 0.568 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001077000838 695122834 /nfs/dbraw/zinc/12/28/34/695122834.db2.gz SKDRQXNEYYFIJJ-DJIMGWMZSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001077000838 695122835 /nfs/dbraw/zinc/12/28/35/695122835.db2.gz SKDRQXNEYYFIJJ-DJIMGWMZSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001077000838 695122836 /nfs/dbraw/zinc/12/28/36/695122836.db2.gz SKDRQXNEYYFIJJ-DJIMGWMZSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001077000838 695122837 /nfs/dbraw/zinc/12/28/37/695122837.db2.gz SKDRQXNEYYFIJJ-DJIMGWMZSA-N 2 1 321.465 0.988 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570530670 1162537747 /nfs/dbraw/zinc/53/77/47/1162537747.db2.gz OQXBMXYCVXDQNQ-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570530670 1162537752 /nfs/dbraw/zinc/53/77/52/1162537752.db2.gz OQXBMXYCVXDQNQ-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001570530670 1162537755 /nfs/dbraw/zinc/53/77/55/1162537755.db2.gz OQXBMXYCVXDQNQ-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001570862106 1162636461 /nfs/dbraw/zinc/63/64/61/1162636461.db2.gz PSLQJVFLTUBQTP-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001570862105 1162636620 /nfs/dbraw/zinc/63/66/20/1162636620.db2.gz PSLQJVFLTUBQTP-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001571405945 1162734811 /nfs/dbraw/zinc/73/48/11/1162734811.db2.gz QZRJDPPSTWMGSQ-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001571527034 1162796090 /nfs/dbraw/zinc/79/60/90/1162796090.db2.gz QWOLRGAVLWOANZ-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001571527034 1162796096 /nfs/dbraw/zinc/79/60/96/1162796096.db2.gz QWOLRGAVLWOANZ-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001571527034 1162796102 /nfs/dbraw/zinc/79/61/02/1162796102.db2.gz QWOLRGAVLWOANZ-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001571527034 1162796105 /nfs/dbraw/zinc/79/61/05/1162796105.db2.gz QWOLRGAVLWOANZ-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001571527036 1162796825 /nfs/dbraw/zinc/79/68/25/1162796825.db2.gz QWOLRGAVLWOANZ-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001571527036 1162796831 /nfs/dbraw/zinc/79/68/31/1162796831.db2.gz QWOLRGAVLWOANZ-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001571527036 1162796834 /nfs/dbraw/zinc/79/68/34/1162796834.db2.gz QWOLRGAVLWOANZ-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001571527036 1162796839 /nfs/dbraw/zinc/79/68/39/1162796839.db2.gz QWOLRGAVLWOANZ-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001571605177 1162855778 /nfs/dbraw/zinc/85/57/78/1162855778.db2.gz NPFFWPOUMCPMEZ-ZBFHGGJFSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001571605177 1162855784 /nfs/dbraw/zinc/85/57/84/1162855784.db2.gz NPFFWPOUMCPMEZ-ZBFHGGJFSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001571609178 1162860051 /nfs/dbraw/zinc/86/00/51/1162860051.db2.gz YACGOHUAAKBXLA-IAGOWNOFSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC[C@@H]1CCOC1 ZINC001691023716 1157403605 /nfs/dbraw/zinc/40/36/05/1157403605.db2.gz ORZZTJINLPIJMQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC[C@@H]1CCOC1 ZINC001691023716 1157403610 /nfs/dbraw/zinc/40/36/10/1157403610.db2.gz ORZZTJINLPIJMQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC[C@@H]1CCOC1 ZINC001691023716 1157403613 /nfs/dbraw/zinc/40/36/13/1157403613.db2.gz ORZZTJINLPIJMQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC[C@@H]1CCOC1 ZINC001691023716 1157403616 /nfs/dbraw/zinc/40/36/16/1157403616.db2.gz ORZZTJINLPIJMQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691096102 1157580071 /nfs/dbraw/zinc/58/00/71/1157580071.db2.gz VAYHGJYKSVEYDV-LVQVYYBASA-N 2 1 307.438 0.461 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691153625 1157599522 /nfs/dbraw/zinc/59/95/22/1157599522.db2.gz AYHSDWPVDYQBQZ-CQSZACIVSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755498135 1158151387 /nfs/dbraw/zinc/15/13/87/1158151387.db2.gz GHAVXFJIOQGVND-ARFHVFGLSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001691686635 1158750198 /nfs/dbraw/zinc/75/01/98/1158750198.db2.gz LWPZCNYPQJWEOI-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566627684 1160100190 /nfs/dbraw/zinc/10/01/90/1160100190.db2.gz JOZVUUVZSAGILP-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566627684 1160100196 /nfs/dbraw/zinc/10/01/96/1160100196.db2.gz JOZVUUVZSAGILP-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001566682978 1160128473 /nfs/dbraw/zinc/12/84/73/1160128473.db2.gz UDZWHBFMASIFEH-HUUCEWRRSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001566682978 1160128474 /nfs/dbraw/zinc/12/84/74/1160128474.db2.gz UDZWHBFMASIFEH-HUUCEWRRSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001566682978 1160128475 /nfs/dbraw/zinc/12/84/75/1160128475.db2.gz UDZWHBFMASIFEH-HUUCEWRRSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001566682978 1160128476 /nfs/dbraw/zinc/12/84/76/1160128476.db2.gz UDZWHBFMASIFEH-HUUCEWRRSA-N 2 1 322.453 0.304 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001566913520 1160182253 /nfs/dbraw/zinc/18/22/53/1160182253.db2.gz RJDDDSMJOPBMNH-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001567352598 1160321843 /nfs/dbraw/zinc/32/18/43/1160321843.db2.gz SJSYIBHRGNZOMN-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001567352598 1160321848 /nfs/dbraw/zinc/32/18/48/1160321848.db2.gz SJSYIBHRGNZOMN-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001567352598 1160321856 /nfs/dbraw/zinc/32/18/56/1160321856.db2.gz SJSYIBHRGNZOMN-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001567352598 1160321860 /nfs/dbraw/zinc/32/18/60/1160321860.db2.gz SJSYIBHRGNZOMN-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)C[C@@H]2CCOC2)CC1 ZINC001567353820 1160322677 /nfs/dbraw/zinc/32/26/77/1160322677.db2.gz GZKQTSDTAYFRQK-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567735976 1160469371 /nfs/dbraw/zinc/46/93/71/1160469371.db2.gz HWDORIDRKHEOFU-MRXNPFEDSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001568450982 1160649107 /nfs/dbraw/zinc/64/91/07/1160649107.db2.gz GQBUFPWNBOWFGL-RBSFLKMASA-N 2 1 324.469 0.359 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC#CCOC)CC2)CC[N@H+]1C ZINC001569401051 1161046482 /nfs/dbraw/zinc/04/64/82/1161046482.db2.gz CYHSODNKVNYULG-LSDHHAIUSA-N 2 1 307.438 0.605 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](CC#CCOC)CC1 ZINC001569577264 1161154426 /nfs/dbraw/zinc/15/44/26/1161154426.db2.gz KTCRAJHUOKLHPH-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569752960 1161224512 /nfs/dbraw/zinc/22/45/12/1161224512.db2.gz RLPKUFQFJHOFPB-RDJZCZTQSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001569752960 1161224516 /nfs/dbraw/zinc/22/45/16/1161224516.db2.gz RLPKUFQFJHOFPB-RDJZCZTQSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001569752960 1161224522 /nfs/dbraw/zinc/22/45/22/1161224522.db2.gz RLPKUFQFJHOFPB-RDJZCZTQSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC#CC)C1 ZINC001569983648 1161368737 /nfs/dbraw/zinc/36/87/37/1161368737.db2.gz GPKOTNDNPRFZPQ-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC#CC)C1 ZINC001569983648 1161368741 /nfs/dbraw/zinc/36/87/41/1161368741.db2.gz GPKOTNDNPRFZPQ-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001570285835 1161543921 /nfs/dbraw/zinc/54/39/21/1161543921.db2.gz OFMRSYNDGQRKDY-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574830292 1163762577 /nfs/dbraw/zinc/76/25/77/1163762577.db2.gz DVCFLRKCBSVGQR-ZBFHGGJFSA-N 2 1 319.453 0.936 20 30 DCEDMP C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575941247 1164190275 /nfs/dbraw/zinc/19/02/75/1164190275.db2.gz MMRBDOQXOZKZJY-SNPRPXQTSA-N 2 1 305.426 0.899 20 30 DCEDMP N#Cc1ccc(N2CC[NH+](CCC3([NH3+])CCOCC3)CC2)cn1 ZINC001580069527 1165490564 /nfs/dbraw/zinc/49/05/64/1165490564.db2.gz BDPGLXZKRPHYDX-UHFFFAOYSA-N 2 1 315.421 0.973 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001656784004 1173886098 /nfs/dbraw/zinc/88/60/98/1173886098.db2.gz IGRJVINJHODXGQ-INIZCTEOSA-N 2 1 321.465 0.944 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001663184809 1174273742 /nfs/dbraw/zinc/27/37/42/1174273742.db2.gz CUVYYDBPGFCQNC-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001663184809 1174273749 /nfs/dbraw/zinc/27/37/49/1174273749.db2.gz CUVYYDBPGFCQNC-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663184809 1174273754 /nfs/dbraw/zinc/27/37/54/1174273754.db2.gz CUVYYDBPGFCQNC-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001663184809 1174273760 /nfs/dbraw/zinc/27/37/60/1174273760.db2.gz CUVYYDBPGFCQNC-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001663538094 1174317338 /nfs/dbraw/zinc/31/73/38/1174317338.db2.gz YAKOAZHHMJQMRK-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnoc1C ZINC001663989438 1174380777 /nfs/dbraw/zinc/38/07/77/1174380777.db2.gz SLDSOVQZKDULJU-HNNXBMFYSA-N 2 1 304.394 0.629 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnoc1C ZINC001663989438 1174380780 /nfs/dbraw/zinc/38/07/80/1174380780.db2.gz SLDSOVQZKDULJU-HNNXBMFYSA-N 2 1 304.394 0.629 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nocc2C)CC1 ZINC001664391405 1174429800 /nfs/dbraw/zinc/42/98/00/1174429800.db2.gz LGLURWFGJNOAFK-UHFFFAOYSA-N 2 1 318.421 0.876 20 30 DCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001664442427 1174433299 /nfs/dbraw/zinc/43/32/99/1174433299.db2.gz LRQBDGDSVIYGMU-WBVHZDCISA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001664442427 1174433302 /nfs/dbraw/zinc/43/33/02/1174433302.db2.gz LRQBDGDSVIYGMU-WBVHZDCISA-N 2 1 301.434 0.934 20 30 DCEDMP C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001665030057 1174474064 /nfs/dbraw/zinc/47/40/64/1174474064.db2.gz RVKXBAHYACPXOT-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001665030057 1174474068 /nfs/dbraw/zinc/47/40/68/1174474068.db2.gz RVKXBAHYACPXOT-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001665030057 1174474071 /nfs/dbraw/zinc/47/40/71/1174474071.db2.gz RVKXBAHYACPXOT-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001665030057 1174474079 /nfs/dbraw/zinc/47/40/79/1174474079.db2.gz RVKXBAHYACPXOT-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001665391887 1174515111 /nfs/dbraw/zinc/51/51/11/1174515111.db2.gz DGCGFFIFIHAGCU-ULQDDVLXSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001665391887 1174515117 /nfs/dbraw/zinc/51/51/17/1174515117.db2.gz DGCGFFIFIHAGCU-ULQDDVLXSA-N 2 1 319.449 0.816 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001665730251 1174556439 /nfs/dbraw/zinc/55/64/39/1174556439.db2.gz AZQLWQSBCTVMRY-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001665730251 1174556443 /nfs/dbraw/zinc/55/64/43/1174556443.db2.gz AZQLWQSBCTVMRY-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001667306439 1174675131 /nfs/dbraw/zinc/67/51/31/1174675131.db2.gz FJBQEMHDQAMJNI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001667306439 1174675133 /nfs/dbraw/zinc/67/51/33/1174675133.db2.gz FJBQEMHDQAMJNI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001671667235 1175028560 /nfs/dbraw/zinc/02/85/60/1175028560.db2.gz RADSONZFEVOREP-WMLDXEAASA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001671667235 1175028566 /nfs/dbraw/zinc/02/85/66/1175028566.db2.gz RADSONZFEVOREP-WMLDXEAASA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCOC)C2)CC1 ZINC001671694716 1175030572 /nfs/dbraw/zinc/03/05/72/1175030572.db2.gz WKJBWAIMLUJFFZ-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CCC)C2)CC1 ZINC001672044000 1175070697 /nfs/dbraw/zinc/07/06/97/1175070697.db2.gz FJHHCQSYABMJLE-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001672247972 1175093187 /nfs/dbraw/zinc/09/31/87/1175093187.db2.gz ZSDXQIQDEWGIBI-GDBMZVCRSA-N 2 1 318.421 0.668 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001673671875 1175222260 /nfs/dbraw/zinc/22/22/60/1175222260.db2.gz QGPPYRCTICKVHM-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001675553761 1175372115 /nfs/dbraw/zinc/37/21/15/1175372115.db2.gz TYWIBRGKGSJOQS-OSYLJGHBSA-N 2 1 321.465 0.969 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001675553761 1175372117 /nfs/dbraw/zinc/37/21/17/1175372117.db2.gz TYWIBRGKGSJOQS-OSYLJGHBSA-N 2 1 321.465 0.969 20 30 DCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001677160350 1175540267 /nfs/dbraw/zinc/54/02/67/1175540267.db2.gz FBHAHSDAASUVEK-ZBFHGGJFSA-N 2 1 320.437 0.773 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001677178580 1175545102 /nfs/dbraw/zinc/54/51/02/1175545102.db2.gz JFHCWQXWGOYSNL-QGZVFWFLSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001690064291 1177157834 /nfs/dbraw/zinc/15/78/34/1177157834.db2.gz HIUZJKKTGSPCTM-UHFFFAOYSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CC[NH2+]C/C=C/CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001699306870 1178051693 /nfs/dbraw/zinc/05/16/93/1178051693.db2.gz ALZXYADXXDVPIE-ONEGZZNKSA-N 2 1 302.378 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cccn1 ZINC001699406957 1178123052 /nfs/dbraw/zinc/12/30/52/1178123052.db2.gz DLIQTMLVYPXDND-GJZGRUSLSA-N 2 1 303.410 0.075 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cccn1 ZINC001699406957 1178123059 /nfs/dbraw/zinc/12/30/59/1178123059.db2.gz DLIQTMLVYPXDND-GJZGRUSLSA-N 2 1 303.410 0.075 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001699738043 1178271008 /nfs/dbraw/zinc/27/10/08/1178271008.db2.gz JRYHHMDHBVDHLS-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001699857662 1178320646 /nfs/dbraw/zinc/32/06/46/1178320646.db2.gz FEWHVFKGUKVKMX-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001699857662 1178320655 /nfs/dbraw/zinc/32/06/55/1178320655.db2.gz FEWHVFKGUKVKMX-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001699968164 1178400773 /nfs/dbraw/zinc/40/07/73/1178400773.db2.gz DNPJWNGHVSVSPB-ZBFHGGJFSA-N 2 1 318.421 0.525 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001700006990 1178427552 /nfs/dbraw/zinc/42/75/52/1178427552.db2.gz IAKHQWLBHWYHSY-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001700006990 1178427555 /nfs/dbraw/zinc/42/75/55/1178427555.db2.gz IAKHQWLBHWYHSY-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001700006990 1178427559 /nfs/dbraw/zinc/42/75/59/1178427559.db2.gz IAKHQWLBHWYHSY-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001700170429 1178514794 /nfs/dbraw/zinc/51/47/94/1178514794.db2.gz JZQIFBXEWAGRGS-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001700237304 1178546911 /nfs/dbraw/zinc/54/69/11/1178546911.db2.gz VOUXHRIALIWIPV-INIZCTEOSA-N 2 1 322.409 0.479 20 30 DCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001700701580 1178712056 /nfs/dbraw/zinc/71/20/56/1178712056.db2.gz WDFWGAPDAAFZET-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001700701580 1178712062 /nfs/dbraw/zinc/71/20/62/1178712062.db2.gz WDFWGAPDAAFZET-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001700701580 1178712066 /nfs/dbraw/zinc/71/20/66/1178712066.db2.gz WDFWGAPDAAFZET-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001700939714 1178817040 /nfs/dbraw/zinc/81/70/40/1178817040.db2.gz SSORGYHFQFGUAH-JKSUJKDBSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001701022820 1178881055 /nfs/dbraw/zinc/88/10/55/1178881055.db2.gz IWYFPOPQQIXLMQ-JUVOFCAFSA-N 2 1 321.465 0.946 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001713168818 1180705885 /nfs/dbraw/zinc/70/58/85/1180705885.db2.gz WSTRCLDSTZCKFB-XGUBFFRZSA-N 2 1 322.453 0.256 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001713168816 1180706076 /nfs/dbraw/zinc/70/60/76/1180706076.db2.gz WSTRCLDSTZCKFB-KBUPBQIOSA-N 2 1 322.453 0.256 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001713216598 1180724175 /nfs/dbraw/zinc/72/41/75/1180724175.db2.gz JZFLHFYNSMFANJ-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001713216598 1180724179 /nfs/dbraw/zinc/72/41/79/1180724179.db2.gz JZFLHFYNSMFANJ-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001713277278 1180747171 /nfs/dbraw/zinc/74/71/71/1180747171.db2.gz GMAVHHPEIZJKEU-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001713277278 1180747178 /nfs/dbraw/zinc/74/71/78/1180747178.db2.gz GMAVHHPEIZJKEU-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001713667186 1181008978 /nfs/dbraw/zinc/00/89/78/1181008978.db2.gz BRPLOTSXZJEDQL-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001713989207 1181186277 /nfs/dbraw/zinc/18/62/77/1181186277.db2.gz QMPBGAKMVAPZFB-QLFBSQMISA-N 2 1 322.453 0.400 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCOCC)C1 ZINC001714351803 1181332783 /nfs/dbraw/zinc/33/27/83/1181332783.db2.gz SMXJBOSVVRUSTK-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCOCC)C1 ZINC001714351803 1181332792 /nfs/dbraw/zinc/33/27/92/1181332792.db2.gz SMXJBOSVVRUSTK-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001714599913 1181431630 /nfs/dbraw/zinc/43/16/30/1181431630.db2.gz RVPSVKZERTUZLU-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001714599913 1181431635 /nfs/dbraw/zinc/43/16/35/1181431635.db2.gz RVPSVKZERTUZLU-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714631683 1181452409 /nfs/dbraw/zinc/45/24/09/1181452409.db2.gz HSPYQBAXUHDSJP-QLFBSQMISA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714631683 1181452411 /nfs/dbraw/zinc/45/24/11/1181452411.db2.gz HSPYQBAXUHDSJP-QLFBSQMISA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714631683 1181452414 /nfs/dbraw/zinc/45/24/14/1181452414.db2.gz HSPYQBAXUHDSJP-QLFBSQMISA-N 2 1 322.453 0.067 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N(CC)CC ZINC001714716066 1181501155 /nfs/dbraw/zinc/50/11/55/1181501155.db2.gz JYCQUUPQALEWAX-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N(CC)CC ZINC001714716066 1181501159 /nfs/dbraw/zinc/50/11/59/1181501159.db2.gz JYCQUUPQALEWAX-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001714884094 1181585836 /nfs/dbraw/zinc/58/58/36/1181585836.db2.gz GRKGNHKWAQXXTG-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001714884094 1181585840 /nfs/dbraw/zinc/58/58/40/1181585840.db2.gz GRKGNHKWAQXXTG-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001714884094 1181585845 /nfs/dbraw/zinc/58/58/45/1181585845.db2.gz GRKGNHKWAQXXTG-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001714884094 1181585849 /nfs/dbraw/zinc/58/58/49/1181585849.db2.gz GRKGNHKWAQXXTG-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001715493944 1181829477 /nfs/dbraw/zinc/82/94/77/1181829477.db2.gz LMAVHGKBFRPCON-OAGGEKHMSA-N 2 1 309.454 0.707 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001715600896 1181887909 /nfs/dbraw/zinc/88/79/09/1181887909.db2.gz RYBRWBHHQIEFFW-ZFWWWQNUSA-N 2 1 306.410 0.397 20 30 DCEDMP COCC#CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001715959504 1182119453 /nfs/dbraw/zinc/11/94/53/1182119453.db2.gz LSUFCQHJWGWTJB-HUUCEWRRSA-N 2 1 318.421 0.564 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001716549101 1182437517 /nfs/dbraw/zinc/43/75/17/1182437517.db2.gz OEKTZSHRRDCNOW-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001716919734 1182574918 /nfs/dbraw/zinc/57/49/18/1182574918.db2.gz HGRSULTUAAVPOS-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001716919734 1182574923 /nfs/dbraw/zinc/57/49/23/1182574923.db2.gz HGRSULTUAAVPOS-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001716919734 1182574929 /nfs/dbraw/zinc/57/49/29/1182574929.db2.gz HGRSULTUAAVPOS-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCOCC1 ZINC001717267688 1182758430 /nfs/dbraw/zinc/75/84/30/1182758430.db2.gz XGDYROUXDLTDJL-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP C=CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001717313857 1182776643 /nfs/dbraw/zinc/77/66/43/1182776643.db2.gz HYLCYSDEBNVUKL-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001717486848 1182859635 /nfs/dbraw/zinc/85/96/35/1182859635.db2.gz DRJMHQLXCMXITR-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001717486848 1182859643 /nfs/dbraw/zinc/85/96/43/1182859643.db2.gz DRJMHQLXCMXITR-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001717486848 1182859653 /nfs/dbraw/zinc/85/96/53/1182859653.db2.gz DRJMHQLXCMXITR-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001717486848 1182859658 /nfs/dbraw/zinc/85/96/58/1182859658.db2.gz DRJMHQLXCMXITR-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001717860400 1183035624 /nfs/dbraw/zinc/03/56/24/1183035624.db2.gz KWCGBWDWDBNKSD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001717860400 1183035628 /nfs/dbraw/zinc/03/56/28/1183035628.db2.gz KWCGBWDWDBNKSD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001717860400 1183035632 /nfs/dbraw/zinc/03/56/32/1183035632.db2.gz KWCGBWDWDBNKSD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001717860400 1183035635 /nfs/dbraw/zinc/03/56/35/1183035635.db2.gz KWCGBWDWDBNKSD-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001717926825 1183066483 /nfs/dbraw/zinc/06/64/83/1183066483.db2.gz FMFKCVSJXYISHZ-ZBFHGGJFSA-N 2 1 320.437 0.739 20 30 DCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001718008164 1183105267 /nfs/dbraw/zinc/10/52/67/1183105267.db2.gz XLOWFXDPTWWIQM-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001718011026 1183106239 /nfs/dbraw/zinc/10/62/39/1183106239.db2.gz VHQXJXXQVUVIEE-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724430633 1184441294 /nfs/dbraw/zinc/44/12/94/1184441294.db2.gz QDNOKWXCACIEEV-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001724641943 1184492546 /nfs/dbraw/zinc/49/25/46/1184492546.db2.gz QGEDUCLDQWXZTE-ZOBUZTSGSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001724641943 1184492551 /nfs/dbraw/zinc/49/25/51/1184492551.db2.gz QGEDUCLDQWXZTE-ZOBUZTSGSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001724641943 1184492556 /nfs/dbraw/zinc/49/25/56/1184492556.db2.gz QGEDUCLDQWXZTE-ZOBUZTSGSA-N 2 1 309.454 0.846 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001724841976 1184588100 /nfs/dbraw/zinc/58/81/00/1184588100.db2.gz GLHKEWAMTOOJSY-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC2CC2)C1 ZINC001724901221 1184610618 /nfs/dbraw/zinc/61/06/18/1184610618.db2.gz ARWMXHZANPMCAO-WMZOPIPTSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC2CC2)C1 ZINC001724901221 1184610620 /nfs/dbraw/zinc/61/06/20/1184610620.db2.gz ARWMXHZANPMCAO-WMZOPIPTSA-N 2 1 319.449 0.437 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001724974327 1184639828 /nfs/dbraw/zinc/63/98/28/1184639828.db2.gz GOODLQBYFXUWTB-UHFFFAOYSA-N 2 1 308.470 0.731 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001724974327 1184639833 /nfs/dbraw/zinc/63/98/33/1184639833.db2.gz GOODLQBYFXUWTB-UHFFFAOYSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001725337938 1184779607 /nfs/dbraw/zinc/77/96/07/1184779607.db2.gz PPPSCTROCJOBBE-BBWFWOEESA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001725337938 1184779612 /nfs/dbraw/zinc/77/96/12/1184779612.db2.gz PPPSCTROCJOBBE-BBWFWOEESA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccon2)CC1 ZINC001725526631 1184859151 /nfs/dbraw/zinc/85/91/51/1184859151.db2.gz WZIXTRPISKXAGX-AWEZNQCLSA-N 2 1 318.421 0.956 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001725577406 1184894636 /nfs/dbraw/zinc/89/46/36/1184894636.db2.gz ZZYWXNMHUPTIKN-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP CC[C@H](C(=O)NCC1=CC[N@@H+](CC#CCOC)CC1)[NH+](C)C ZINC001725826526 1185020516 /nfs/dbraw/zinc/02/05/16/1185020516.db2.gz YTNJHTUWYIBTPM-MRXNPFEDSA-N 2 1 307.438 0.725 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001731342036 1185279804 /nfs/dbraw/zinc/27/98/04/1185279804.db2.gz FBIOWYPICMWXPW-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001731342036 1185279809 /nfs/dbraw/zinc/27/98/09/1185279809.db2.gz FBIOWYPICMWXPW-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731342036 1185279814 /nfs/dbraw/zinc/27/98/14/1185279814.db2.gz FBIOWYPICMWXPW-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001731368837 1185301173 /nfs/dbraw/zinc/30/11/73/1185301173.db2.gz MDCOPCSOTRTRBL-UHFFFAOYSA-N 2 1 306.454 0.228 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001731368837 1185301179 /nfs/dbraw/zinc/30/11/79/1185301179.db2.gz MDCOPCSOTRTRBL-UHFFFAOYSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001731700195 1185448690 /nfs/dbraw/zinc/44/86/90/1185448690.db2.gz QICXEQVPZREEKC-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCN2CCOCC2)C1 ZINC001732040768 1185641971 /nfs/dbraw/zinc/64/19/71/1185641971.db2.gz LEWSJVAPJCQDIS-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCN1CC[C@H](N(CCC)C(=O)CCN2CCOCC2)C1 ZINC001732040768 1185641973 /nfs/dbraw/zinc/64/19/73/1185641973.db2.gz LEWSJVAPJCQDIS-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001732175694 1185720877 /nfs/dbraw/zinc/72/08/77/1185720877.db2.gz KXSVUWBXZABZSC-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001733509736 1186316506 /nfs/dbraw/zinc/31/65/06/1186316506.db2.gz SZRZHRSTPGBWNH-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001733509736 1186316513 /nfs/dbraw/zinc/31/65/13/1186316513.db2.gz SZRZHRSTPGBWNH-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001733578492 1186340719 /nfs/dbraw/zinc/34/07/19/1186340719.db2.gz FCCPHLAIALLZDZ-INIZCTEOSA-N 2 1 321.469 0.553 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001733594249 1186353379 /nfs/dbraw/zinc/35/33/79/1186353379.db2.gz WKATTWSWWDPNER-SFHVURJKSA-N 2 1 321.465 0.992 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001733764628 1186437345 /nfs/dbraw/zinc/43/73/45/1186437345.db2.gz KLYWIVMVIIBSSS-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001733874910 1186482592 /nfs/dbraw/zinc/48/25/92/1186482592.db2.gz FPKRMPKINATIBV-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001733874910 1186482593 /nfs/dbraw/zinc/48/25/93/1186482593.db2.gz FPKRMPKINATIBV-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001734545086 1186686921 /nfs/dbraw/zinc/68/69/21/1186686921.db2.gz QTXZNXFXZATPBF-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001734545086 1186686923 /nfs/dbraw/zinc/68/69/23/1186686923.db2.gz QTXZNXFXZATPBF-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001734545086 1186686925 /nfs/dbraw/zinc/68/69/25/1186686925.db2.gz QTXZNXFXZATPBF-JKSUJKDBSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752841330 1188448951 /nfs/dbraw/zinc/44/89/51/1188448951.db2.gz PGMARQLYLMVUPB-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752841330 1188448954 /nfs/dbraw/zinc/44/89/54/1188448954.db2.gz PGMARQLYLMVUPB-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752978644 1188470881 /nfs/dbraw/zinc/47/08/81/1188470881.db2.gz QAQDSFNCDKJKID-JKSUJKDBSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001753052780 1188486092 /nfs/dbraw/zinc/48/60/92/1188486092.db2.gz IAPXOPABFFEVEU-ZDUSSCGKSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001753052780 1188486093 /nfs/dbraw/zinc/48/60/93/1188486093.db2.gz IAPXOPABFFEVEU-ZDUSSCGKSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001753074425 1188492627 /nfs/dbraw/zinc/49/26/27/1188492627.db2.gz KZNGCADOJSQDIB-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001753074425 1188492630 /nfs/dbraw/zinc/49/26/30/1188492630.db2.gz KZNGCADOJSQDIB-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001753411824 1188586632 /nfs/dbraw/zinc/58/66/32/1188586632.db2.gz ZISUKVCQAJQLQE-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001753414608 1188587179 /nfs/dbraw/zinc/58/71/79/1188587179.db2.gz PXDZDQQSVBNQCB-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001753414608 1188587182 /nfs/dbraw/zinc/58/71/82/1188587182.db2.gz PXDZDQQSVBNQCB-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCOCC1 ZINC001753425172 1188592677 /nfs/dbraw/zinc/59/26/77/1188592677.db2.gz LABUXHUBPXFFTO-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCOCC1 ZINC001753425172 1188592679 /nfs/dbraw/zinc/59/26/79/1188592679.db2.gz LABUXHUBPXFFTO-IRXDYDNUSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001753696522 1188642402 /nfs/dbraw/zinc/64/24/02/1188642402.db2.gz MWIWLUKGZGHYTR-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001753696522 1188642403 /nfs/dbraw/zinc/64/24/03/1188642403.db2.gz MWIWLUKGZGHYTR-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001754024927 1188714099 /nfs/dbraw/zinc/71/40/99/1188714099.db2.gz ADZQUEYCAJOLIE-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001754488082 1188865216 /nfs/dbraw/zinc/86/52/16/1188865216.db2.gz WIGRRXQXQKKQIQ-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001754600991 1188887630 /nfs/dbraw/zinc/88/76/30/1188887630.db2.gz JWHIPSVUHDEGEP-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001754948321 1188978301 /nfs/dbraw/zinc/97/83/01/1188978301.db2.gz YFJGDMVZNOIYDH-RHSMWYFYSA-N 2 1 315.417 0.917 20 30 DCEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001754948321 1188978304 /nfs/dbraw/zinc/97/83/04/1188978304.db2.gz YFJGDMVZNOIYDH-RHSMWYFYSA-N 2 1 315.417 0.917 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001755111683 1189026435 /nfs/dbraw/zinc/02/64/35/1189026435.db2.gz JGRDUNVWFHBRIH-DOMZBBRYSA-N 2 1 304.394 0.810 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001755146137 1189034793 /nfs/dbraw/zinc/03/47/93/1189034793.db2.gz LIWUGCGEVWLBCQ-UHFFFAOYSA-N 2 1 306.454 0.343 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C ZINC001755630828 1189166359 /nfs/dbraw/zinc/16/63/59/1189166359.db2.gz SALOOJDOCGOTIL-HOTGVXAUSA-N 2 1 323.481 0.977 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C ZINC001755630828 1189166364 /nfs/dbraw/zinc/16/63/64/1189166364.db2.gz SALOOJDOCGOTIL-HOTGVXAUSA-N 2 1 323.481 0.977 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755800370 1189221016 /nfs/dbraw/zinc/22/10/16/1189221016.db2.gz HLBJZKWETYALFZ-HOTGVXAUSA-N 2 1 307.438 0.103 20 30 DCEDMP C=CCN1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781600 751782531 /nfs/dbraw/zinc/78/25/31/751782531.db2.gz OEPFWEHFELSBDG-WWGRRREGSA-N 2 1 313.417 0.546 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOC(C)C)C1 ZINC001100415243 746979667 /nfs/dbraw/zinc/97/96/67/746979667.db2.gz GPNHULSUQYARDN-JCYILVPMSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOC(C)C)C1 ZINC001100415243 746979669 /nfs/dbraw/zinc/97/96/69/746979669.db2.gz GPNHULSUQYARDN-JCYILVPMSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098534737 747044216 /nfs/dbraw/zinc/04/42/16/747044216.db2.gz CGDUCVYWQHGZEA-UHFFFAOYSA-N 2 1 305.422 0.001 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167471549 747264390 /nfs/dbraw/zinc/26/43/90/747264390.db2.gz JJTNPLDUUXFVDO-UHFFFAOYSA-N 2 1 306.410 0.752 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+]CC)cc(=O)[nH]1 ZINC001087257240 747554242 /nfs/dbraw/zinc/55/42/42/747554242.db2.gz HUIZKYCZRGBUAJ-ZDUSSCGKSA-N 2 1 317.393 0.006 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+]CC)cc(=O)[nH]1 ZINC001087257240 747554247 /nfs/dbraw/zinc/55/42/47/747554247.db2.gz HUIZKYCZRGBUAJ-ZDUSSCGKSA-N 2 1 317.393 0.006 20 30 DCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043391195 752213882 /nfs/dbraw/zinc/21/38/82/752213882.db2.gz JUVRRIDHZRGAOB-GULBITTBSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043391195 752213884 /nfs/dbraw/zinc/21/38/84/752213884.db2.gz JUVRRIDHZRGAOB-GULBITTBSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083283827 747857333 /nfs/dbraw/zinc/85/73/33/747857333.db2.gz VYXUVJAKTHERHZ-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083283827 747857342 /nfs/dbraw/zinc/85/73/42/747857342.db2.gz VYXUVJAKTHERHZ-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001077670610 752263986 /nfs/dbraw/zinc/26/39/86/752263986.db2.gz AYNBEHLPFKNSJS-NWANDNLSSA-N 2 1 304.394 0.101 20 30 DCEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001105357927 748431015 /nfs/dbraw/zinc/43/10/15/748431015.db2.gz ODMNAHQNWJPHHD-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001098514249 748434243 /nfs/dbraw/zinc/43/42/43/748434243.db2.gz MCNGPIBTNNHXOB-UHFFFAOYSA-N 2 1 304.394 0.261 20 30 DCEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001105364938 748528044 /nfs/dbraw/zinc/52/80/44/748528044.db2.gz GBCJLHNMSGCIGD-UHFFFAOYSA-N 2 1 318.425 0.116 20 30 DCEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372383 748638070 /nfs/dbraw/zinc/63/80/70/748638070.db2.gz CLDFCCOFRJQGTJ-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372733 748638583 /nfs/dbraw/zinc/63/85/83/748638583.db2.gz VKQXBBUBGRVLEL-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372733 748638586 /nfs/dbraw/zinc/63/85/86/748638586.db2.gz VKQXBBUBGRVLEL-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208229 749290224 /nfs/dbraw/zinc/29/02/24/749290224.db2.gz REFQQHFFGLBYHE-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208229 749290230 /nfs/dbraw/zinc/29/02/30/749290230.db2.gz REFQQHFFGLBYHE-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208229 749290233 /nfs/dbraw/zinc/29/02/33/749290233.db2.gz REFQQHFFGLBYHE-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208229 749290237 /nfs/dbraw/zinc/29/02/37/749290237.db2.gz REFQQHFFGLBYHE-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098723480 749290651 /nfs/dbraw/zinc/29/06/51/749290651.db2.gz XYRMKNNYHKZNAK-OAHLLOKOSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645586 749790998 /nfs/dbraw/zinc/79/09/98/749790998.db2.gz QWKFOVVIHYFNCC-CABCVRRESA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645586 749791005 /nfs/dbraw/zinc/79/10/05/749791005.db2.gz QWKFOVVIHYFNCC-CABCVRRESA-N 2 1 318.425 0.421 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518976 750087944 /nfs/dbraw/zinc/08/79/44/750087944.db2.gz YATFTGZAYSJMFJ-OAGGEKHMSA-N 2 1 309.454 0.702 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518976 750087949 /nfs/dbraw/zinc/08/79/49/750087949.db2.gz YATFTGZAYSJMFJ-OAGGEKHMSA-N 2 1 309.454 0.702 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518976 750087958 /nfs/dbraw/zinc/08/79/58/750087958.db2.gz YATFTGZAYSJMFJ-OAGGEKHMSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518816 750088199 /nfs/dbraw/zinc/08/81/99/750088199.db2.gz RQLYFEHLCGZNTK-OAGGEKHMSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518816 750088203 /nfs/dbraw/zinc/08/82/03/750088203.db2.gz RQLYFEHLCGZNTK-OAGGEKHMSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518816 750088208 /nfs/dbraw/zinc/08/82/08/750088208.db2.gz RQLYFEHLCGZNTK-OAGGEKHMSA-N 2 1 309.454 0.702 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523443 750094345 /nfs/dbraw/zinc/09/43/45/750094345.db2.gz DJNPZYUDZRAPST-ZACQAIPSSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523443 750094352 /nfs/dbraw/zinc/09/43/52/750094352.db2.gz DJNPZYUDZRAPST-ZACQAIPSSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523443 750094358 /nfs/dbraw/zinc/09/43/58/750094358.db2.gz DJNPZYUDZRAPST-ZACQAIPSSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523443 750094365 /nfs/dbraw/zinc/09/43/65/750094365.db2.gz DJNPZYUDZRAPST-ZACQAIPSSA-N 2 1 319.449 0.578 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001077125544 750219349 /nfs/dbraw/zinc/21/93/49/750219349.db2.gz WOIFCWBYEKGGJA-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001077125544 750219352 /nfs/dbraw/zinc/21/93/52/750219352.db2.gz WOIFCWBYEKGGJA-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077395802 750392026 /nfs/dbraw/zinc/39/20/26/750392026.db2.gz DBMYHKKRBMAGHO-HUUCEWRRSA-N 2 1 300.362 0.685 20 30 DCEDMP CC#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719387 751032733 /nfs/dbraw/zinc/03/27/33/751032733.db2.gz BNBNZURSPGWGPO-XHSDSOJGSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719387 751032741 /nfs/dbraw/zinc/03/27/41/751032741.db2.gz BNBNZURSPGWGPO-XHSDSOJGSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719387 751032748 /nfs/dbraw/zinc/03/27/48/751032748.db2.gz BNBNZURSPGWGPO-XHSDSOJGSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719387 751032756 /nfs/dbraw/zinc/03/27/56/751032756.db2.gz BNBNZURSPGWGPO-XHSDSOJGSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719387 751032766 /nfs/dbraw/zinc/03/27/66/751032766.db2.gz BNBNZURSPGWGPO-XHSDSOJGSA-N 2 1 307.438 0.293 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122536228 751089902 /nfs/dbraw/zinc/08/99/02/751089902.db2.gz VTCKULMTHRIHFD-CVEARBPZSA-N 2 1 305.422 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665382 751221761 /nfs/dbraw/zinc/22/17/61/751221761.db2.gz UROPGJYZUARIBF-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001098790134 751251339 /nfs/dbraw/zinc/25/13/39/751251339.db2.gz OXVJBSJYEBUKPI-OAHLLOKOSA-N 2 1 320.441 0.667 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001098790134 751251343 /nfs/dbraw/zinc/25/13/43/751251343.db2.gz OXVJBSJYEBUKPI-OAHLLOKOSA-N 2 1 320.441 0.667 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077777557 752520999 /nfs/dbraw/zinc/52/09/99/752520999.db2.gz QDXRNGKPJFTPQU-ARFHVFGLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001078228616 753124115 /nfs/dbraw/zinc/12/41/15/753124115.db2.gz XVUGTAASPNWPGR-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001078228616 753124119 /nfs/dbraw/zinc/12/41/19/753124119.db2.gz XVUGTAASPNWPGR-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001078228616 753124121 /nfs/dbraw/zinc/12/41/21/753124121.db2.gz XVUGTAASPNWPGR-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045478908 753211073 /nfs/dbraw/zinc/21/10/73/753211073.db2.gz IRRIJVYSWWHXBX-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045478908 753211077 /nfs/dbraw/zinc/21/10/77/753211077.db2.gz IRRIJVYSWWHXBX-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045685939 753294289 /nfs/dbraw/zinc/29/42/89/753294289.db2.gz LDNMPGAKXYYMLM-CVEARBPZSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035404 753439377 /nfs/dbraw/zinc/43/93/77/753439377.db2.gz LDMGQAQNYIFFKV-IRXDYDNUSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046040447 753443344 /nfs/dbraw/zinc/44/33/44/753443344.db2.gz ITUPHKKLMJBADC-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064136 753457766 /nfs/dbraw/zinc/45/77/66/753457766.db2.gz GFDQAQDAEVALKR-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064136 753457768 /nfs/dbraw/zinc/45/77/68/753457768.db2.gz GFDQAQDAEVALKR-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064136 753457771 /nfs/dbraw/zinc/45/77/71/753457771.db2.gz GFDQAQDAEVALKR-SJORKVTESA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501292 753753158 /nfs/dbraw/zinc/75/31/58/753753158.db2.gz MZKHXHWMCHEGET-OBKBAYEDSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501292 753753167 /nfs/dbraw/zinc/75/31/67/753753167.db2.gz MZKHXHWMCHEGET-OBKBAYEDSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501292 753753172 /nfs/dbraw/zinc/75/31/72/753753172.db2.gz MZKHXHWMCHEGET-OBKBAYEDSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046695599 753880118 /nfs/dbraw/zinc/88/01/18/753880118.db2.gz PRXODSULRYBZKM-MRXNPFEDSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046695599 753880124 /nfs/dbraw/zinc/88/01/24/753880124.db2.gz PRXODSULRYBZKM-MRXNPFEDSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001047408946 754256183 /nfs/dbraw/zinc/25/61/83/754256183.db2.gz KYGHZHPOMMIMQH-JYJNAYRXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047408946 754256187 /nfs/dbraw/zinc/25/61/87/754256187.db2.gz KYGHZHPOMMIMQH-JYJNAYRXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047408946 754256189 /nfs/dbraw/zinc/25/61/89/754256189.db2.gz KYGHZHPOMMIMQH-JYJNAYRXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047408946 754256192 /nfs/dbraw/zinc/25/61/92/754256192.db2.gz KYGHZHPOMMIMQH-JYJNAYRXSA-N 2 1 307.438 0.386 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001047638122 754452893 /nfs/dbraw/zinc/45/28/93/754452893.db2.gz CLDJTDZAZVCOKB-JYJNAYRXSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638122 754452895 /nfs/dbraw/zinc/45/28/95/754452895.db2.gz CLDJTDZAZVCOKB-JYJNAYRXSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638122 754452896 /nfs/dbraw/zinc/45/28/96/754452896.db2.gz CLDJTDZAZVCOKB-JYJNAYRXSA-N 2 1 307.438 0.388 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090261822 754830800 /nfs/dbraw/zinc/83/08/00/754830800.db2.gz PGSPVWDKIVJHRJ-HZPDHXFCSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC#C)C2)CC1 ZINC001072099177 762356497 /nfs/dbraw/zinc/35/64/97/762356497.db2.gz NDVKZLCQTIKLHA-RDJZCZTQSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116724 755125265 /nfs/dbraw/zinc/12/52/65/755125265.db2.gz ZPMKPWYTZWIPSH-IYBDPMFKSA-N 2 1 305.422 0.122 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116724 755125267 /nfs/dbraw/zinc/12/52/67/755125267.db2.gz ZPMKPWYTZWIPSH-IYBDPMFKSA-N 2 1 305.422 0.122 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049136551 755142671 /nfs/dbraw/zinc/14/26/71/755142671.db2.gz XFDLBFGFNPEIOS-GASCZTMLSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](C)O)C[C@@H]3C2)CC1 ZINC001049235128 755197230 /nfs/dbraw/zinc/19/72/30/755197230.db2.gz LFZVLPAOBHABPI-BHYGNILZSA-N 2 1 319.449 0.103 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391027 755247911 /nfs/dbraw/zinc/24/79/11/755247911.db2.gz FYTAXRHRAZNFDJ-XHSDSOJGSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049904926 755441407 /nfs/dbraw/zinc/44/14/07/755441407.db2.gz TYQAMHVYORTPJR-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049904926 755441408 /nfs/dbraw/zinc/44/14/08/755441408.db2.gz TYQAMHVYORTPJR-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904926 755441410 /nfs/dbraw/zinc/44/14/10/755441410.db2.gz TYQAMHVYORTPJR-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904926 755441412 /nfs/dbraw/zinc/44/14/12/755441412.db2.gz TYQAMHVYORTPJR-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947537 755881564 /nfs/dbraw/zinc/88/15/64/755881564.db2.gz SBQBSSNBKRXDCJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947537 755881565 /nfs/dbraw/zinc/88/15/65/755881565.db2.gz SBQBSSNBKRXDCJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947537 755881568 /nfs/dbraw/zinc/88/15/68/755881568.db2.gz SBQBSSNBKRXDCJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947537 755881570 /nfs/dbraw/zinc/88/15/70/755881570.db2.gz SBQBSSNBKRXDCJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)O)CC2)CC1 ZINC001052957030 755885756 /nfs/dbraw/zinc/88/57/56/755885756.db2.gz CJBFVOUOIGDHRA-DOTOQJQBSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161278 756118037 /nfs/dbraw/zinc/11/80/37/756118037.db2.gz UUBAIYXOFKNNSW-MYPHYYIGSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080161278 756118040 /nfs/dbraw/zinc/11/80/40/756118040.db2.gz UUBAIYXOFKNNSW-MYPHYYIGSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080161278 756118044 /nfs/dbraw/zinc/11/80/44/756118044.db2.gz UUBAIYXOFKNNSW-MYPHYYIGSA-N 2 1 317.433 0.309 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593058 756249484 /nfs/dbraw/zinc/24/94/84/756249484.db2.gz HEVMVVTVXGJYAP-UKRRQHHQSA-N 2 1 305.426 0.681 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](CCC)C3)C2)CC1 ZINC001054016200 756335093 /nfs/dbraw/zinc/33/50/93/756335093.db2.gz XBFWAHVWRAIFNF-MRXNPFEDSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392910 757376440 /nfs/dbraw/zinc/37/64/40/757376440.db2.gz XMPSZHVZZTZIKF-CABCVRRESA-N 2 1 305.422 0.190 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392911 757377222 /nfs/dbraw/zinc/37/72/22/757377222.db2.gz XMPSZHVZZTZIKF-GJZGRUSLSA-N 2 1 305.422 0.190 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472551 757743302 /nfs/dbraw/zinc/74/33/02/757743302.db2.gz WMUACLXIAOOZDN-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472551 757743306 /nfs/dbraw/zinc/74/33/06/757743306.db2.gz WMUACLXIAOOZDN-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731618 759246066 /nfs/dbraw/zinc/24/60/66/759246066.db2.gz GKDUZQIKPKQICB-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731618 759246074 /nfs/dbraw/zinc/24/60/74/759246074.db2.gz GKDUZQIKPKQICB-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731618 759246080 /nfs/dbraw/zinc/24/60/80/759246080.db2.gz GKDUZQIKPKQICB-NDUQDZPOSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781852 759305181 /nfs/dbraw/zinc/30/51/81/759305181.db2.gz HALMPDDGENPJJF-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085781852 759305191 /nfs/dbraw/zinc/30/51/91/759305191.db2.gz HALMPDDGENPJJF-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085781852 759305200 /nfs/dbraw/zinc/30/52/00/759305200.db2.gz HALMPDDGENPJJF-HZPDHXFCSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052658366 759542278 /nfs/dbraw/zinc/54/22/78/759542278.db2.gz LKYUIVKKGMANMV-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052658366 759542283 /nfs/dbraw/zinc/54/22/83/759542283.db2.gz LKYUIVKKGMANMV-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658366 759542286 /nfs/dbraw/zinc/54/22/86/759542286.db2.gz LKYUIVKKGMANMV-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658366 759542292 /nfs/dbraw/zinc/54/22/92/759542292.db2.gz LKYUIVKKGMANMV-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCO)CC1 ZINC001085987202 759546187 /nfs/dbraw/zinc/54/61/87/759546187.db2.gz WTWZONGFWZNOPF-MRXNPFEDSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091676716 767914387 /nfs/dbraw/zinc/91/43/87/767914387.db2.gz DTOCOTWRAICAAH-NUJGCVRESA-N 2 1 301.434 0.742 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100084169 760189423 /nfs/dbraw/zinc/18/94/23/760189423.db2.gz YCIRPECFDXVVEG-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100084169 760189427 /nfs/dbraw/zinc/18/94/27/760189427.db2.gz YCIRPECFDXVVEG-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100084169 760189433 /nfs/dbraw/zinc/18/94/33/760189433.db2.gz YCIRPECFDXVVEG-GJZGRUSLSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2=O)C1 ZINC001108591981 760944017 /nfs/dbraw/zinc/94/40/17/760944017.db2.gz JWOMOAXQXGKSHE-CQSZACIVSA-N 2 1 322.453 0.304 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC2=O)C1 ZINC001108591981 760944024 /nfs/dbraw/zinc/94/40/24/760944024.db2.gz JWOMOAXQXGKSHE-CQSZACIVSA-N 2 1 322.453 0.304 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241516 761732554 /nfs/dbraw/zinc/73/25/54/761732554.db2.gz WDYJTJICVBGIBR-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841666 762739877 /nfs/dbraw/zinc/73/98/77/762739877.db2.gz MRGSVOJVASASAB-JZXOWHBKSA-N 2 1 301.434 0.932 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)COCC[NH+](C)C)C1 ZINC001099547531 762896430 /nfs/dbraw/zinc/89/64/30/762896430.db2.gz HEFUJMCHLYPXTR-QAETUUGQSA-N 2 1 319.449 0.367 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001129791143 763005685 /nfs/dbraw/zinc/00/56/85/763005685.db2.gz USHQOFVZBLRJSU-KGLIPLIRSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001129791143 763005688 /nfs/dbraw/zinc/00/56/88/763005688.db2.gz USHQOFVZBLRJSU-KGLIPLIRSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnccc1C ZINC001129774414 763008989 /nfs/dbraw/zinc/00/89/89/763008989.db2.gz BDSNDXDWMJSNAT-INIZCTEOSA-N 2 1 300.406 0.693 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnccc1C ZINC001129774414 763008998 /nfs/dbraw/zinc/00/89/98/763008998.db2.gz BDSNDXDWMJSNAT-INIZCTEOSA-N 2 1 300.406 0.693 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CO)cc1 ZINC001129771182 763009463 /nfs/dbraw/zinc/00/94/63/763009463.db2.gz SSEULQZRJDNAAT-KRWDZBQOSA-N 2 1 315.417 0.482 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CO)cc1 ZINC001129771182 763009465 /nfs/dbraw/zinc/00/94/65/763009465.db2.gz SSEULQZRJDNAAT-KRWDZBQOSA-N 2 1 315.417 0.482 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099874182 763092861 /nfs/dbraw/zinc/09/28/61/763092861.db2.gz HFAGOQRYVDDPMW-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100402203 763552118 /nfs/dbraw/zinc/55/21/18/763552118.db2.gz RGTKYCLSDYEQHR-UYSNPLJNSA-N 2 1 319.453 0.874 20 30 DCEDMP CC#CC[NH2+]C1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001100467963 763594632 /nfs/dbraw/zinc/59/46/32/763594632.db2.gz WMQHCDGZQVJFDC-UHFFFAOYSA-N 2 1 304.394 0.858 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@H](C)O2 ZINC001131677845 763944771 /nfs/dbraw/zinc/94/47/71/763944771.db2.gz PTELQDDYHHQION-YJBOKZPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704113 763949661 /nfs/dbraw/zinc/94/96/61/763949661.db2.gz QPYVHDVZDWFZPZ-WBVHZDCISA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704113 763949668 /nfs/dbraw/zinc/94/96/68/763949668.db2.gz QPYVHDVZDWFZPZ-WBVHZDCISA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704113 763949674 /nfs/dbraw/zinc/94/96/74/763949674.db2.gz QPYVHDVZDWFZPZ-WBVHZDCISA-N 2 1 307.438 0.652 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051746 764510162 /nfs/dbraw/zinc/51/01/62/764510162.db2.gz KICKFWAVQKBMJJ-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051746 764510170 /nfs/dbraw/zinc/51/01/70/764510170.db2.gz KICKFWAVQKBMJJ-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051746 764510177 /nfs/dbraw/zinc/51/01/77/764510177.db2.gz KICKFWAVQKBMJJ-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085875 764520385 /nfs/dbraw/zinc/52/03/85/764520385.db2.gz GCNDXVMFZKUFMB-HZPDHXFCSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613095 765590205 /nfs/dbraw/zinc/59/02/05/765590205.db2.gz SDAGUAJJMXNRSQ-CABCVRRESA-N 2 1 309.454 0.993 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245183 765659993 /nfs/dbraw/zinc/65/99/93/765659993.db2.gz MVEBDANSBDJWLV-MWDXBVQZSA-N 2 1 321.465 0.967 20 30 DCEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001118125613 766232646 /nfs/dbraw/zinc/23/26/46/766232646.db2.gz VLWHBSAMYOMEPV-ZDUSSCGKSA-N 2 1 304.398 0.526 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092614732 768359563 /nfs/dbraw/zinc/35/95/63/768359563.db2.gz RMWZFNOBMJDZJS-HUUCEWRRSA-N 2 1 317.437 0.376 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574248 766329081 /nfs/dbraw/zinc/32/90/81/766329081.db2.gz RDSWOKVJZDJHTC-GJZGRUSLSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574248 766329086 /nfs/dbraw/zinc/32/90/86/766329086.db2.gz RDSWOKVJZDJHTC-GJZGRUSLSA-N 2 1 307.438 0.293 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090673621 766457674 /nfs/dbraw/zinc/45/76/74/766457674.db2.gz LQJMFNGSQPMONF-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001120537287 767068060 /nfs/dbraw/zinc/06/80/60/767068060.db2.gz XLVSFBSPPOVJRR-OAHLLOKOSA-N 2 1 322.453 0.399 20 30 DCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001171235046 767084166 /nfs/dbraw/zinc/08/41/66/767084166.db2.gz CUWLCKAAISCETG-HZPDHXFCSA-N 2 1 319.453 0.711 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093212738 768495473 /nfs/dbraw/zinc/49/54/73/768495473.db2.gz QZTRDJRXJPSUTO-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093212738 768495480 /nfs/dbraw/zinc/49/54/80/768495480.db2.gz QZTRDJRXJPSUTO-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212738 768495485 /nfs/dbraw/zinc/49/54/85/768495485.db2.gz QZTRDJRXJPSUTO-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212738 768495490 /nfs/dbraw/zinc/49/54/90/768495490.db2.gz QZTRDJRXJPSUTO-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC001093224481 768501673 /nfs/dbraw/zinc/50/16/73/768501673.db2.gz YPEDZHWBLXAZCE-BFYDXBDKSA-N 2 1 321.465 0.397 20 30 DCEDMP C#CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001093597002 768653865 /nfs/dbraw/zinc/65/38/65/768653865.db2.gz SOHOCFATGCMBPI-HNNXBMFYSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001093597002 768653871 /nfs/dbraw/zinc/65/38/71/768653871.db2.gz SOHOCFATGCMBPI-HNNXBMFYSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCNc2cc(C)[nH+]c(C)n2)CC1 ZINC001093686620 768683953 /nfs/dbraw/zinc/68/39/53/768683953.db2.gz MUMOUQOSJGPVQR-UHFFFAOYSA-N 2 1 315.421 0.967 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150596039 769134109 /nfs/dbraw/zinc/13/41/09/769134109.db2.gz HBTFNDMABVGLPC-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150596039 769134115 /nfs/dbraw/zinc/13/41/15/769134115.db2.gz HBTFNDMABVGLPC-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001150596039 769134118 /nfs/dbraw/zinc/13/41/18/769134118.db2.gz HBTFNDMABVGLPC-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150796592 769188515 /nfs/dbraw/zinc/18/85/15/769188515.db2.gz WBLBOYNSUSOYIF-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150796592 769188522 /nfs/dbraw/zinc/18/85/22/769188522.db2.gz WBLBOYNSUSOYIF-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001151307638 769309233 /nfs/dbraw/zinc/30/92/33/769309233.db2.gz BPDCYKZLZQIQEU-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151408855 769332836 /nfs/dbraw/zinc/33/28/36/769332836.db2.gz PRXNDJKNQLKIEO-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001151748002 769411971 /nfs/dbraw/zinc/41/19/71/769411971.db2.gz BRFIAMJJAQMBFH-MRXNPFEDSA-N 2 1 316.405 0.485 20 30 DCEDMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001151748002 769411976 /nfs/dbraw/zinc/41/19/76/769411976.db2.gz BRFIAMJJAQMBFH-MRXNPFEDSA-N 2 1 316.405 0.485 20 30 DCEDMP C#CCCN1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177124354 770328943 /nfs/dbraw/zinc/32/89/43/770328943.db2.gz JNUIYFAVOMAMRP-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226096 770439291 /nfs/dbraw/zinc/43/92/91/770439291.db2.gz HDAQHWIULDEOCF-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226096 770439293 /nfs/dbraw/zinc/43/92/93/770439293.db2.gz HDAQHWIULDEOCF-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226096 770439295 /nfs/dbraw/zinc/43/92/95/770439295.db2.gz HDAQHWIULDEOCF-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226096 770439298 /nfs/dbraw/zinc/43/92/98/770439298.db2.gz HDAQHWIULDEOCF-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289383 771632710 /nfs/dbraw/zinc/63/27/10/771632710.db2.gz VNWGJDXLUPDAAE-ZIAGYGMSSA-N 2 1 322.453 0.352 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185200628 771878652 /nfs/dbraw/zinc/87/86/52/771878652.db2.gz ZTUJHTTXPJICRF-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001159356360 771900824 /nfs/dbraw/zinc/90/08/24/771900824.db2.gz XHSLJIACVUHISQ-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185293644 771901265 /nfs/dbraw/zinc/90/12/65/771901265.db2.gz IWLSHNLVGYZXQW-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159629103 771936605 /nfs/dbraw/zinc/93/66/05/771936605.db2.gz UGUSFONUPGOICO-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001159629103 771936608 /nfs/dbraw/zinc/93/66/08/771936608.db2.gz UGUSFONUPGOICO-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159629103 771936609 /nfs/dbraw/zinc/93/66/09/771936609.db2.gz UGUSFONUPGOICO-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP COC(=O)c1cc(C#N)cnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160519413 772057411 /nfs/dbraw/zinc/05/74/11/772057411.db2.gz LAKKUEYKZDJBRM-INIZCTEOSA-N 2 1 315.377 0.575 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160870523 772130333 /nfs/dbraw/zinc/13/03/33/772130333.db2.gz YQMREYXPVGYBGS-HZPDHXFCSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNc1ccc(N2CC[NH2+]CC2)nn1 ZINC001160952964 772142226 /nfs/dbraw/zinc/14/22/26/772142226.db2.gz KSAAQVLLGLXGGI-AWEZNQCLSA-N 2 1 302.426 0.949 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001166249041 772795989 /nfs/dbraw/zinc/79/59/89/772795989.db2.gz BARAJOWAHVDTJP-CSLYMUCUSA-N 2 1 317.433 0.359 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166677724 772839345 /nfs/dbraw/zinc/83/93/45/772839345.db2.gz MATHZMNGVFYDSE-ZIAGYGMSSA-N 2 1 310.442 0.115 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001166814310 772863238 /nfs/dbraw/zinc/86/32/38/772863238.db2.gz AVCHTTSAZKVYDM-MRXNPFEDSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814634 772863384 /nfs/dbraw/zinc/86/33/84/772863384.db2.gz MJPOMRNDICUIEU-OAHLLOKOSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001205344189 772988401 /nfs/dbraw/zinc/98/84/01/772988401.db2.gz CKGZOKAJHLQXER-HOTGVXAUSA-N 2 1 307.438 0.864 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469497 773067838 /nfs/dbraw/zinc/06/78/38/773067838.db2.gz RISBTDZUYGUSED-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194259580 773169714 /nfs/dbraw/zinc/16/97/14/773169714.db2.gz YVQKNKZSEZRYBM-ZIAGYGMSSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194259580 773169716 /nfs/dbraw/zinc/16/97/16/773169716.db2.gz YVQKNKZSEZRYBM-ZIAGYGMSSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194259580 773169718 /nfs/dbraw/zinc/16/97/18/773169718.db2.gz YVQKNKZSEZRYBM-ZIAGYGMSSA-N 2 1 313.442 0.081 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001208073210 773394416 /nfs/dbraw/zinc/39/44/16/773394416.db2.gz FGUIYLKGYAXUOV-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CCN1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208604116 773504698 /nfs/dbraw/zinc/50/46/98/773504698.db2.gz BDQOQKGNDKMLMC-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604116 773504706 /nfs/dbraw/zinc/50/47/06/773504706.db2.gz BDQOQKGNDKMLMC-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208604116 773504710 /nfs/dbraw/zinc/50/47/10/773504710.db2.gz BDQOQKGNDKMLMC-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208604116 773504713 /nfs/dbraw/zinc/50/47/13/773504713.db2.gz BDQOQKGNDKMLMC-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642342 773629558 /nfs/dbraw/zinc/62/95/58/773629558.db2.gz GLJCVEALKYQSSE-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642342 773629560 /nfs/dbraw/zinc/62/95/60/773629560.db2.gz GLJCVEALKYQSSE-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046246 773763135 /nfs/dbraw/zinc/76/31/35/773763135.db2.gz KTEUCKUUDKXPTI-OWCLPIDISA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097779 773853422 /nfs/dbraw/zinc/85/34/22/773853422.db2.gz HGSQXQMJXHEIIK-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097779 773853428 /nfs/dbraw/zinc/85/34/28/773853428.db2.gz HGSQXQMJXHEIIK-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097779 773853437 /nfs/dbraw/zinc/85/34/37/773853437.db2.gz HGSQXQMJXHEIIK-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198097779 773853441 /nfs/dbraw/zinc/85/34/41/773853441.db2.gz HGSQXQMJXHEIIK-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097779 773853447 /nfs/dbraw/zinc/85/34/47/773853447.db2.gz HGSQXQMJXHEIIK-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC=C)C[C@H]2O)CC1 ZINC001199029621 774018356 /nfs/dbraw/zinc/01/83/56/774018356.db2.gz MOZGLNNRJQWIEY-IAGOWNOFSA-N 2 1 319.449 0.459 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216507274 774119950 /nfs/dbraw/zinc/11/99/50/774119950.db2.gz SXKPJRWCSOJRHK-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC001218202587 774216009 /nfs/dbraw/zinc/21/60/09/774216009.db2.gz MYPJJYNLFJHSOS-QEJZJMRPSA-N 2 1 303.362 0.610 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218882402 774319912 /nfs/dbraw/zinc/31/99/12/774319912.db2.gz SCWRIUYRUVKBNW-INIZCTEOSA-N 2 1 300.362 0.021 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC=C)C1 ZINC001200720922 774397910 /nfs/dbraw/zinc/39/79/10/774397910.db2.gz DZGOCWJLFJFDAC-HOTGVXAUSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC=C)C1 ZINC001200720922 774397917 /nfs/dbraw/zinc/39/79/17/774397917.db2.gz DZGOCWJLFJFDAC-HOTGVXAUSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[C@]1(C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC001219796339 774611805 /nfs/dbraw/zinc/61/18/05/774611805.db2.gz WFOVSPLJJSYRPQ-GOSISDBHSA-N 2 1 318.465 0.465 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198168 775590289 /nfs/dbraw/zinc/59/02/89/775590289.db2.gz MUTOQNUHPBLOBD-BMFZPTHFSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198168 775590295 /nfs/dbraw/zinc/59/02/95/775590295.db2.gz MUTOQNUHPBLOBD-BMFZPTHFSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784065 775668553 /nfs/dbraw/zinc/66/85/53/775668553.db2.gz ACQADXUFEWAZNQ-TUBVSAOGSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784065 775668557 /nfs/dbraw/zinc/66/85/57/775668557.db2.gz ACQADXUFEWAZNQ-TUBVSAOGSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001095784065 775668560 /nfs/dbraw/zinc/66/85/60/775668560.db2.gz ACQADXUFEWAZNQ-TUBVSAOGSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001095784065 775668563 /nfs/dbraw/zinc/66/85/63/775668563.db2.gz ACQADXUFEWAZNQ-TUBVSAOGSA-N 2 1 315.417 0.204 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001225435448 775677938 /nfs/dbraw/zinc/67/79/38/775677938.db2.gz KBFSEYZLUCFCIR-UHFFFAOYSA-N 2 1 318.421 0.670 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227797816 776006966 /nfs/dbraw/zinc/00/69/66/776006966.db2.gz NECRROXOGHASSY-INIZCTEOSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227987196 776033740 /nfs/dbraw/zinc/03/37/40/776033740.db2.gz VFKVGNCPPUHXID-DZGCQCFKSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001229073140 776154160 /nfs/dbraw/zinc/15/41/60/776154160.db2.gz BSGJBXWSLLGAFW-MRXNPFEDSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001229185207 776165865 /nfs/dbraw/zinc/16/58/65/776165865.db2.gz IQVCTKMGHQBGNM-ZBFHGGJFSA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114925804 776397718 /nfs/dbraw/zinc/39/77/18/776397718.db2.gz ZWNUWDPKLHGRHE-VQFNDLOPSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273030466 945209158 /nfs/dbraw/zinc/20/91/58/945209158.db2.gz NGZQWRRPAYZAMX-QGZVFWFLSA-N 2 1 303.406 0.460 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCO)CC1 ZINC001266247017 939025570 /nfs/dbraw/zinc/02/55/70/939025570.db2.gz ACCHQLSASYIPOZ-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266533778 939154695 /nfs/dbraw/zinc/15/46/95/939154695.db2.gz QJYYVCWOIAFNJP-GOEBONIOSA-N 2 1 324.469 0.313 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001493278914 939305625 /nfs/dbraw/zinc/30/56/25/939305625.db2.gz FPIAPLLGAQJPRD-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267044532 939322015 /nfs/dbraw/zinc/32/20/15/939322015.db2.gz JLJOEKSOEVNLCS-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267272877 939411294 /nfs/dbraw/zinc/41/12/94/939411294.db2.gz ACPPABIUQHNIBU-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267296439 939417977 /nfs/dbraw/zinc/41/79/77/939417977.db2.gz NTXSBAUJXMAQSJ-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267296439 939417978 /nfs/dbraw/zinc/41/79/78/939417978.db2.gz NTXSBAUJXMAQSJ-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267296439 939417979 /nfs/dbraw/zinc/41/79/79/939417979.db2.gz NTXSBAUJXMAQSJ-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001481061419 939544600 /nfs/dbraw/zinc/54/46/00/939544600.db2.gz WOUZUQYYQJVGJN-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001481472630 939886528 /nfs/dbraw/zinc/88/65/28/939886528.db2.gz UNMZWSQLNFHHPY-KRWDZBQOSA-N 2 1 320.481 0.428 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001268118564 939951217 /nfs/dbraw/zinc/95/12/17/939951217.db2.gz OAIBGWPQSNRYNY-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001268118564 939951222 /nfs/dbraw/zinc/95/12/22/939951222.db2.gz OAIBGWPQSNRYNY-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCOCC)C1 ZINC001481630037 939981078 /nfs/dbraw/zinc/98/10/78/939981078.db2.gz CHDOFJNDTQDDLW-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCOCC)C1 ZINC001481630037 939981081 /nfs/dbraw/zinc/98/10/81/939981081.db2.gz CHDOFJNDTQDDLW-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCC1CCCC1 ZINC001268308158 940042737 /nfs/dbraw/zinc/04/27/37/940042737.db2.gz KNOZFRDTUKPYBO-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCC1CCCC1 ZINC001268308158 940042741 /nfs/dbraw/zinc/04/27/41/940042741.db2.gz KNOZFRDTUKPYBO-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481739517 940101173 /nfs/dbraw/zinc/10/11/73/940101173.db2.gz ZRGBYLGCWQKZFN-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481739517 940101175 /nfs/dbraw/zinc/10/11/75/940101175.db2.gz ZRGBYLGCWQKZFN-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001268553818 940231438 /nfs/dbraw/zinc/23/14/38/940231438.db2.gz YIBZEPSXVCNAHQ-QDLOVBKTSA-N 2 1 307.438 0.773 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cnccn1 ZINC001268648497 940317949 /nfs/dbraw/zinc/31/79/49/940317949.db2.gz KSIMYQYRSLMQDL-YCPHGPKFSA-N 2 1 315.421 0.730 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cnccn1 ZINC001268648497 940317950 /nfs/dbraw/zinc/31/79/50/940317950.db2.gz KSIMYQYRSLMQDL-YCPHGPKFSA-N 2 1 315.421 0.730 20 30 DCEDMP C=CCNC(=O)CN1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001278426619 945325897 /nfs/dbraw/zinc/32/58/97/945325897.db2.gz IMHBHUHNNPXPOA-RHSMWYFYSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)CN1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001278426620 945326326 /nfs/dbraw/zinc/32/63/26/945326326.db2.gz IMHBHUHNNPXPOA-WMLDXEAASA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318356285 945333109 /nfs/dbraw/zinc/33/31/09/945333109.db2.gz WVXCAIHIBIYJSD-RRFJBIMHSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318356285 945333118 /nfs/dbraw/zinc/33/31/18/945333118.db2.gz WVXCAIHIBIYJSD-RRFJBIMHSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001270665346 940959874 /nfs/dbraw/zinc/95/98/74/940959874.db2.gz OQQXAHFNSIFXSJ-YOEHRIQHSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001270665346 940959880 /nfs/dbraw/zinc/95/98/80/940959880.db2.gz OQQXAHFNSIFXSJ-YOEHRIQHSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001270665346 940959881 /nfs/dbraw/zinc/95/98/81/940959881.db2.gz OQQXAHFNSIFXSJ-YOEHRIQHSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001270665346 940959884 /nfs/dbraw/zinc/95/98/84/940959884.db2.gz OQQXAHFNSIFXSJ-YOEHRIQHSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCOC)C1 ZINC001270737127 940978340 /nfs/dbraw/zinc/97/83/40/940978340.db2.gz GKRPTAQBAVDTJU-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCOC)C1 ZINC001270737127 940978341 /nfs/dbraw/zinc/97/83/41/940978341.db2.gz GKRPTAQBAVDTJU-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001271175458 941313115 /nfs/dbraw/zinc/31/31/15/941313115.db2.gz PBFTXBPYJMWCNX-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271229811 941329570 /nfs/dbraw/zinc/32/95/70/941329570.db2.gz XHFAJURFRZLXKM-AEFFLSMTSA-N 2 1 321.465 0.683 20 30 DCEDMP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272295326 942671947 /nfs/dbraw/zinc/67/19/47/942671947.db2.gz PEMLTBOLAMKMAX-CYBMUJFWSA-N 2 1 303.834 0.491 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCO)C1CCCC1 ZINC001484000427 943079083 /nfs/dbraw/zinc/07/90/83/943079083.db2.gz FURGXSOZPCARRW-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCO)C1CCCC1 ZINC001484000427 943079093 /nfs/dbraw/zinc/07/90/93/943079093.db2.gz FURGXSOZPCARRW-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001484025021 943090361 /nfs/dbraw/zinc/09/03/61/943090361.db2.gz FKEKJJVCTCDINQ-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013571 943140193 /nfs/dbraw/zinc/14/01/93/943140193.db2.gz VKEMQDYQFFZWCE-OAGGEKHMSA-N 2 1 317.437 0.966 20 30 DCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484437240 943382581 /nfs/dbraw/zinc/38/25/81/943382581.db2.gz DWYFKNSUWAVOPW-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484437240 943382586 /nfs/dbraw/zinc/38/25/86/943382586.db2.gz DWYFKNSUWAVOPW-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484437240 943382591 /nfs/dbraw/zinc/38/25/91/943382591.db2.gz DWYFKNSUWAVOPW-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CCO1 ZINC001484698087 943529065 /nfs/dbraw/zinc/52/90/65/943529065.db2.gz UGFMZRAEASQUBD-RDJZCZTQSA-N 2 1 307.438 0.865 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484842241 943591064 /nfs/dbraw/zinc/59/10/64/943591064.db2.gz WNFJSWMOUIEZJE-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001276467256 944181996 /nfs/dbraw/zinc/18/19/96/944181996.db2.gz ACWSMVNHEZMEIM-ZIAGYGMSSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001276467256 944182005 /nfs/dbraw/zinc/18/20/05/944182005.db2.gz ACWSMVNHEZMEIM-ZIAGYGMSSA-N 2 1 324.469 0.454 20 30 DCEDMP C[NH+]1CCC(C[NH+]2CC3(C2)CN(CCCC#N)C(=O)CO3)CC1 ZINC001272888385 944300374 /nfs/dbraw/zinc/30/03/74/944300374.db2.gz XKCRAMXDYFSOAF-UHFFFAOYSA-N 2 1 320.437 0.545 20 30 DCEDMP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001276800735 944303907 /nfs/dbraw/zinc/30/39/07/944303907.db2.gz MDDBFUAUBTYMLJ-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001486021736 944482731 /nfs/dbraw/zinc/48/27/31/944482731.db2.gz ZFXUJWDTBYWVKP-OAHLLOKOSA-N 2 1 309.454 0.731 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001277273032 944734084 /nfs/dbraw/zinc/73/40/84/944734084.db2.gz UNSZUKUTKGDYSH-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317178316 944837502 /nfs/dbraw/zinc/83/75/02/944837502.db2.gz LGVSPAINVQBXSA-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317178316 944837511 /nfs/dbraw/zinc/83/75/11/944837511.db2.gz LGVSPAINVQBXSA-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317178316 944837518 /nfs/dbraw/zinc/83/75/18/944837518.db2.gz LGVSPAINVQBXSA-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317178316 944837524 /nfs/dbraw/zinc/83/75/24/944837524.db2.gz LGVSPAINVQBXSA-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001277734786 944961507 /nfs/dbraw/zinc/96/15/07/944961507.db2.gz IACCCWOIRJYRQO-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001277734786 944961516 /nfs/dbraw/zinc/96/15/16/944961516.db2.gz IACCCWOIRJYRQO-HOTGVXAUSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317521368 945018532 /nfs/dbraw/zinc/01/85/32/945018532.db2.gz CJWJPJHOOCYBTO-NVXWUHKLSA-N 2 1 319.449 0.416 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001246302815 945379329 /nfs/dbraw/zinc/37/93/29/945379329.db2.gz FTLNJQIVAPGHKT-KFWWJZLASA-N 2 1 323.437 0.956 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001318789885 945443863 /nfs/dbraw/zinc/44/38/63/945443863.db2.gz PCBPFRUIBRDFAD-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001318789885 945443870 /nfs/dbraw/zinc/44/38/70/945443870.db2.gz PCBPFRUIBRDFAD-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320272867 945798806 /nfs/dbraw/zinc/79/88/06/945798806.db2.gz JTBKSSDTHKUXKJ-XJKSGUPXSA-N 2 1 315.433 0.842 20 30 DCEDMP C=C[C@@](C)(O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001252550659 945961013 /nfs/dbraw/zinc/96/10/13/945961013.db2.gz NNWGRPGRHNTSNJ-FXUDXRNXSA-N 2 1 305.426 0.610 20 30 DCEDMP C=C[C@@](C)(O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001252550659 945961018 /nfs/dbraw/zinc/96/10/18/945961018.db2.gz NNWGRPGRHNTSNJ-FXUDXRNXSA-N 2 1 305.426 0.610 20 30 DCEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252550659 945961022 /nfs/dbraw/zinc/96/10/22/945961022.db2.gz NNWGRPGRHNTSNJ-FXUDXRNXSA-N 2 1 305.426 0.610 20 30 DCEDMP C=C[C@@](C)(O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001252550659 945961030 /nfs/dbraw/zinc/96/10/30/945961030.db2.gz NNWGRPGRHNTSNJ-FXUDXRNXSA-N 2 1 305.426 0.610 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCOC)CC1 ZINC001323356898 947052826 /nfs/dbraw/zinc/05/28/26/947052826.db2.gz MEJAFXNZEMMQIH-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCCN1CCN(c2nnnn2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001262213968 947605572 /nfs/dbraw/zinc/60/55/72/947605572.db2.gz DYKCGCOYCKNTSN-HNNXBMFYSA-N 2 1 317.441 0.303 20 30 DCEDMP C#CCC[NH+]1CCN(c2nnnn2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001262213968 947605579 /nfs/dbraw/zinc/60/55/79/947605579.db2.gz DYKCGCOYCKNTSN-HNNXBMFYSA-N 2 1 317.441 0.303 20 30 DCEDMP C#CCC[NH+]1CCN(c2nnnn2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001262213968 947605586 /nfs/dbraw/zinc/60/55/86/947605586.db2.gz DYKCGCOYCKNTSN-HNNXBMFYSA-N 2 1 317.441 0.303 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325125054 947735510 /nfs/dbraw/zinc/73/55/10/947735510.db2.gz AAFMRGYOMNGDQT-QGZVFWFLSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325125054 947735521 /nfs/dbraw/zinc/73/55/21/947735521.db2.gz AAFMRGYOMNGDQT-QGZVFWFLSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325125054 947735535 /nfs/dbraw/zinc/73/55/35/947735535.db2.gz AAFMRGYOMNGDQT-QGZVFWFLSA-N 2 1 309.454 0.541 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001325275339 947735976 /nfs/dbraw/zinc/73/59/76/947735976.db2.gz YGIYOBHTAWGSOE-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001325846368 947949713 /nfs/dbraw/zinc/94/97/13/947949713.db2.gz HCQBSUOAOLVYLC-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001325861740 947956896 /nfs/dbraw/zinc/95/68/96/947956896.db2.gz VBEYCQMWHJIZGE-GDBMZVCRSA-N 2 1 306.410 0.963 20 30 DCEDMP C=CCN1CCC[C@@](CO)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001325861740 947956902 /nfs/dbraw/zinc/95/69/02/947956902.db2.gz VBEYCQMWHJIZGE-GDBMZVCRSA-N 2 1 306.410 0.963 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001325866106 947958132 /nfs/dbraw/zinc/95/81/32/947958132.db2.gz UDRUOMYJIDHNMT-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP C#CCN1CC[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001273728105 948051728 /nfs/dbraw/zinc/05/17/28/948051728.db2.gz DZMKIQLSIGPAJJ-SFHVURJKSA-N 2 1 318.465 0.182 20 30 DCEDMP C=CCN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001273863726 948639796 /nfs/dbraw/zinc/63/97/96/948639796.db2.gz MYJSMRHHXNWBEF-RHSMWYFYSA-N 2 1 309.454 0.846 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001263872875 948791109 /nfs/dbraw/zinc/79/11/09/948791109.db2.gz ZNPSBVWVCXFVTQ-BZUAXINKSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264077153 948864083 /nfs/dbraw/zinc/86/40/83/948864083.db2.gz UONKEUGGMQJBQD-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264077153 948864101 /nfs/dbraw/zinc/86/41/01/948864101.db2.gz UONKEUGGMQJBQD-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264077153 948864119 /nfs/dbraw/zinc/86/41/19/948864119.db2.gz UONKEUGGMQJBQD-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001264636449 949050540 /nfs/dbraw/zinc/05/05/40/949050540.db2.gz TXVNAXIGJYKDJG-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001264636449 949050558 /nfs/dbraw/zinc/05/05/58/949050558.db2.gz TXVNAXIGJYKDJG-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001264636449 949050577 /nfs/dbraw/zinc/05/05/77/949050577.db2.gz TXVNAXIGJYKDJG-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001265265329 949514723 /nfs/dbraw/zinc/51/47/23/949514723.db2.gz VWCBCHSAVJPOCM-IAGOWNOFSA-N 2 1 320.481 0.923 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265874501 950069185 /nfs/dbraw/zinc/06/91/85/950069185.db2.gz FVBMKIOHHXVBOI-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265874501 950069200 /nfs/dbraw/zinc/06/92/00/950069200.db2.gz FVBMKIOHHXVBOI-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265874501 950069216 /nfs/dbraw/zinc/06/92/16/950069216.db2.gz FVBMKIOHHXVBOI-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001265931968 950159693 /nfs/dbraw/zinc/15/96/93/950159693.db2.gz BGBMCWNSRCBXCG-HNNXBMFYSA-N 2 1 318.421 0.847 20 30 DCEDMP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266105907 950374436 /nfs/dbraw/zinc/37/44/36/950374436.db2.gz VMAIKHKOWYFQAY-MRXNPFEDSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266105907 950374457 /nfs/dbraw/zinc/37/44/57/950374457.db2.gz VMAIKHKOWYFQAY-MRXNPFEDSA-N 2 1 318.421 0.764 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001266148879 950421383 /nfs/dbraw/zinc/42/13/83/950421383.db2.gz JWNNLKTVVSUDPG-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490237936 950446377 /nfs/dbraw/zinc/44/63/77/950446377.db2.gz VFHVJINZBMTGRT-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001490237936 950446388 /nfs/dbraw/zinc/44/63/88/950446388.db2.gz VFHVJINZBMTGRT-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001490237936 950446400 /nfs/dbraw/zinc/44/64/00/950446400.db2.gz VFHVJINZBMTGRT-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001279687180 950669232 /nfs/dbraw/zinc/66/92/32/950669232.db2.gz HAZFLBBARFWEQC-UHFFFAOYSA-N 2 1 320.437 0.133 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001279687180 950669238 /nfs/dbraw/zinc/66/92/38/950669238.db2.gz HAZFLBBARFWEQC-UHFFFAOYSA-N 2 1 320.437 0.133 20 30 DCEDMP Cn1cncc1CN1C[C@@]2(CCN(CCCC#N)C2)OCC1=O ZINC001274040364 951353911 /nfs/dbraw/zinc/35/39/11/951353911.db2.gz MMVXIJAZQDOKAY-INIZCTEOSA-N 2 1 317.393 0.527 20 30 DCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001281618527 951563584 /nfs/dbraw/zinc/56/35/84/951563584.db2.gz MZUAWQSYZKPOFA-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001274663253 951773344 /nfs/dbraw/zinc/77/33/44/951773344.db2.gz SXUSHYQQJAINKN-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCCC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001274942536 951903785 /nfs/dbraw/zinc/90/37/85/951903785.db2.gz YPHPRJGEPQAKAL-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@H](C)O ZINC001275684783 952380731 /nfs/dbraw/zinc/38/07/31/952380731.db2.gz JPMYFERJRIWKEL-GJZGRUSLSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@H](C)O ZINC001275684783 952380735 /nfs/dbraw/zinc/38/07/35/952380735.db2.gz JPMYFERJRIWKEL-GJZGRUSLSA-N 2 1 309.454 0.539 20 30 DCEDMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001281965244 953432082 /nfs/dbraw/zinc/43/20/82/953432082.db2.gz PPXSDEXYDNJLRA-JKSUJKDBSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001283621488 954490057 /nfs/dbraw/zinc/49/00/57/954490057.db2.gz MDMQTUPJQWELMZ-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001491675574 959117121 /nfs/dbraw/zinc/11/71/21/959117121.db2.gz VDHYKYPPSMURKW-TZMCWYRMSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492257381 959764017 /nfs/dbraw/zinc/76/40/17/959764017.db2.gz OGYIUZZGHQMUMF-DZGCQCFKSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492257381 959764032 /nfs/dbraw/zinc/76/40/32/959764032.db2.gz OGYIUZZGHQMUMF-DZGCQCFKSA-N 2 1 322.453 0.067 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316742994 960230080 /nfs/dbraw/zinc/23/00/80/960230080.db2.gz APFDFUQANVQGKQ-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316742994 960230092 /nfs/dbraw/zinc/23/00/92/960230092.db2.gz APFDFUQANVQGKQ-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001316742994 960230103 /nfs/dbraw/zinc/23/01/03/960230103.db2.gz APFDFUQANVQGKQ-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316742993 960231109 /nfs/dbraw/zinc/23/11/09/960231109.db2.gz APFDFUQANVQGKQ-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316742993 960231114 /nfs/dbraw/zinc/23/11/14/960231114.db2.gz APFDFUQANVQGKQ-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001316742993 960231121 /nfs/dbraw/zinc/23/11/21/960231121.db2.gz APFDFUQANVQGKQ-CVEARBPZSA-N 2 1 307.438 0.389 20 30 DCEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)[C@H](CC)[NH+](C)C ZINC001379478084 963011746 /nfs/dbraw/zinc/01/17/46/963011746.db2.gz MQRUAIPZHGYFMG-QWRGUYRKSA-N 2 1 322.247 0.302 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001381317695 963968225 /nfs/dbraw/zinc/96/82/25/963968225.db2.gz GBDNODJDSGHOQN-BPCQOVAHSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001381317695 963968231 /nfs/dbraw/zinc/96/82/31/963968231.db2.gz GBDNODJDSGHOQN-BPCQOVAHSA-N 2 1 301.818 0.554 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001374684167 965753699 /nfs/dbraw/zinc/75/36/99/965753699.db2.gz LCKYINNBJXNHMZ-GFCCVEGCSA-N 2 1 324.450 0.527 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001382171302 967002484 /nfs/dbraw/zinc/00/24/84/967002484.db2.gz QUBLBVLWGNHUSG-OLZOCXBDSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001382171302 967002489 /nfs/dbraw/zinc/00/24/89/967002489.db2.gz QUBLBVLWGNHUSG-OLZOCXBDSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001527667766 1015520806 /nfs/dbraw/zinc/52/08/06/1015520806.db2.gz QMCQMWSOXUXLAV-GDBMZVCRSA-N 2 1 306.454 0.531 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001392219004 991622109 /nfs/dbraw/zinc/62/21/09/991622109.db2.gz VXCJVUGDHNXZBJ-STQMWFEESA-N 2 1 303.834 0.800 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001392219004 991622115 /nfs/dbraw/zinc/62/21/15/991622115.db2.gz VXCJVUGDHNXZBJ-STQMWFEESA-N 2 1 303.834 0.800 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)CO2 ZINC001502464884 1015938408 /nfs/dbraw/zinc/93/84/08/1015938408.db2.gz QMDILTZHPFQWHH-CQSZACIVSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507091625 1015976988 /nfs/dbraw/zinc/97/69/88/1015976988.db2.gz FXUMEQFBIAEMMT-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001505401223 1016213295 /nfs/dbraw/zinc/21/32/95/1016213295.db2.gz SSVDXOZCJGHYSO-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001505401223 1016213303 /nfs/dbraw/zinc/21/33/03/1016213303.db2.gz SSVDXOZCJGHYSO-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001505401223 1016213312 /nfs/dbraw/zinc/21/33/12/1016213312.db2.gz SSVDXOZCJGHYSO-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001505401223 1016213321 /nfs/dbraw/zinc/21/33/21/1016213321.db2.gz SSVDXOZCJGHYSO-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001505401223 1016213328 /nfs/dbraw/zinc/21/33/28/1016213328.db2.gz SSVDXOZCJGHYSO-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001507380557 1016291181 /nfs/dbraw/zinc/29/11/81/1016291181.db2.gz FZRYDGGVMKPRDM-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001507380557 1016291186 /nfs/dbraw/zinc/29/11/86/1016291186.db2.gz FZRYDGGVMKPRDM-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001507528669 1016446590 /nfs/dbraw/zinc/44/65/90/1016446590.db2.gz JCPJFULVGAHRBM-DLBZAZTESA-N 2 1 317.433 0.722 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001406289178 1003574234 /nfs/dbraw/zinc/57/42/34/1003574234.db2.gz MRMNUJAGMGXJIO-CVEARBPZSA-N 2 1 316.405 0.077 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001506065911 1016973338 /nfs/dbraw/zinc/97/33/38/1016973338.db2.gz YIKRMNCWPPRAFE-DZGCQCFKSA-N 2 1 322.453 0.032 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001533791074 1011496847 /nfs/dbraw/zinc/49/68/47/1011496847.db2.gz UJRDYLJJUSIPDY-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001533791074 1011496854 /nfs/dbraw/zinc/49/68/54/1011496854.db2.gz UJRDYLJJUSIPDY-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001533791074 1011496862 /nfs/dbraw/zinc/49/68/62/1011496862.db2.gz UJRDYLJJUSIPDY-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001533791074 1011496868 /nfs/dbraw/zinc/49/68/68/1011496868.db2.gz UJRDYLJJUSIPDY-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001479459951 1017562091 /nfs/dbraw/zinc/56/20/91/1017562091.db2.gz IPEZPXAVFSANJF-GVDBMIGSSA-N 2 1 321.465 0.995 20 30 DCEDMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC#CC[NH+](C)C ZINC001479619753 1017606637 /nfs/dbraw/zinc/60/66/37/1017606637.db2.gz AXOILIRDWCQLLV-UHFFFAOYSA-N 2 1 310.442 0.304 20 30 DCEDMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC#CC[NH+](C)C ZINC001479619753 1017606643 /nfs/dbraw/zinc/60/66/43/1017606643.db2.gz AXOILIRDWCQLLV-UHFFFAOYSA-N 2 1 310.442 0.304 20 30 DCEDMP C#CCC[N@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001506966859 1017712782 /nfs/dbraw/zinc/71/27/82/1017712782.db2.gz GSZIELYAWRBCJF-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC(C)[C@@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)[NH+](C)C ZINC001479924732 1017984582 /nfs/dbraw/zinc/98/45/82/1017984582.db2.gz VRHHPMLUHPSORX-HNNXBMFYSA-N 2 1 309.458 0.220 20 30 DCEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001480088501 1018192124 /nfs/dbraw/zinc/19/21/24/1018192124.db2.gz ZGNGRRSUULBYKK-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001480088501 1018192133 /nfs/dbraw/zinc/19/21/33/1018192133.db2.gz ZGNGRRSUULBYKK-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001480088501 1018192138 /nfs/dbraw/zinc/19/21/38/1018192138.db2.gz ZGNGRRSUULBYKK-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001480088501 1018192144 /nfs/dbraw/zinc/19/21/44/1018192144.db2.gz ZGNGRRSUULBYKK-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480168157 1018276164 /nfs/dbraw/zinc/27/61/64/1018276164.db2.gz YADJUPOYTRPPDA-KBUPBQIOSA-N 2 1 322.453 0.256 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388432 1018485820 /nfs/dbraw/zinc/48/58/20/1018485820.db2.gz XSXQUBHGJSNYOZ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001500686745 1018580624 /nfs/dbraw/zinc/58/06/24/1018580624.db2.gz KOPRUAUTDHHGOI-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001500686745 1018580632 /nfs/dbraw/zinc/58/06/32/1018580632.db2.gz KOPRUAUTDHHGOI-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001500686745 1018580640 /nfs/dbraw/zinc/58/06/40/1018580640.db2.gz KOPRUAUTDHHGOI-QGZVFWFLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480538072 1018637366 /nfs/dbraw/zinc/63/73/66/1018637366.db2.gz STZITNYTMWKZQJ-KGLIPLIRSA-N 2 1 324.469 0.197 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)no1 ZINC001495681244 1018645477 /nfs/dbraw/zinc/64/54/77/1018645477.db2.gz GQLZKTUEQHFPDO-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)no1 ZINC001495681244 1018645479 /nfs/dbraw/zinc/64/54/79/1018645479.db2.gz GQLZKTUEQHFPDO-CJNGLKHVSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC#CCOC)CC1 ZINC001498458835 1019138222 /nfs/dbraw/zinc/13/82/22/1019138222.db2.gz ZUNJCMJSNKULHX-MRXNPFEDSA-N 2 1 319.449 0.418 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC ZINC001498897341 1019509263 /nfs/dbraw/zinc/50/92/63/1019509263.db2.gz CFPSUYLYRVJHKJ-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001496824583 1019671244 /nfs/dbraw/zinc/67/12/44/1019671244.db2.gz ASPYOEVSDFRIRY-CABCVRRESA-N 2 1 324.469 0.101 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001496824583 1019671251 /nfs/dbraw/zinc/67/12/51/1019671251.db2.gz ASPYOEVSDFRIRY-CABCVRRESA-N 2 1 324.469 0.101 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001502072978 1019687400 /nfs/dbraw/zinc/68/74/00/1019687400.db2.gz XSTMHILHHVQFBP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC001502095053 1019709782 /nfs/dbraw/zinc/70/97/82/1019709782.db2.gz SNACXXYSJUHZNA-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001502095053 1019709799 /nfs/dbraw/zinc/70/97/99/1019709799.db2.gz SNACXXYSJUHZNA-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001646794154 1172536288 /nfs/dbraw/zinc/53/62/88/1172536288.db2.gz BUBABZMXICYNQI-QMTHXVAHSA-N 2 1 309.801 0.453 20 30 DCEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCc2ccccc2C1 ZINC000088633789 395707845 /nfs/dbraw/zinc/70/78/45/395707845.db2.gz DKXKYVDWIFZEKF-KRWDZBQOSA-N 2 1 315.465 0.866 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492883 397192917 /nfs/dbraw/zinc/19/29/17/397192917.db2.gz GIXRWRMGGNLDJC-UONOGXRCSA-N 2 1 308.426 0.710 20 30 DCEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000598718492 397283974 /nfs/dbraw/zinc/28/39/74/397283974.db2.gz FLUVPLIQSGVDGS-HOTGVXAUSA-N 2 1 324.469 0.283 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000343774406 415721747 /nfs/dbraw/zinc/72/17/47/415721747.db2.gz XFNHXADRSJRDIL-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000491438260 416600235 /nfs/dbraw/zinc/60/02/35/416600235.db2.gz AYHSJXHMVVMCBJ-MRXNPFEDSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000491438260 416600240 /nfs/dbraw/zinc/60/02/40/416600240.db2.gz AYHSJXHMVVMCBJ-MRXNPFEDSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000491743549 416622503 /nfs/dbraw/zinc/62/25/03/416622503.db2.gz XQIREDLQOXRWJX-HNNXBMFYSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000491743549 416622509 /nfs/dbraw/zinc/62/25/09/416622509.db2.gz XQIREDLQOXRWJX-HNNXBMFYSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000491743549 416622513 /nfs/dbraw/zinc/62/25/13/416622513.db2.gz XQIREDLQOXRWJX-HNNXBMFYSA-N 2 1 310.442 0.088 20 30 DCEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000517567301 416811784 /nfs/dbraw/zinc/81/17/84/416811784.db2.gz DTADKGSXSDQWLJ-HOTGVXAUSA-N 2 1 319.405 0.344 20 30 DCEDMP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000562666103 416869359 /nfs/dbraw/zinc/86/93/59/416869359.db2.gz UVAQFQZZCJGZBJ-CABCVRRESA-N 2 1 303.410 0.662 20 30 DCEDMP C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665029438 418169330 /nfs/dbraw/zinc/16/93/30/418169330.db2.gz YHQXJZZOWOAIMN-ZNMIVQPWSA-N 2 1 312.458 0.901 20 30 DCEDMP C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665029438 418169333 /nfs/dbraw/zinc/16/93/33/418169333.db2.gz YHQXJZZOWOAIMN-ZNMIVQPWSA-N 2 1 312.458 0.901 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001649442410 1173135468 /nfs/dbraw/zinc/13/54/68/1173135468.db2.gz BIIAVPMDOFKOFY-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCOc1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000564668751 332284573 /nfs/dbraw/zinc/28/45/73/332284573.db2.gz XAVYFMSROJSYSD-GOEBONIOSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000564668751 332284575 /nfs/dbraw/zinc/28/45/75/332284575.db2.gz XAVYFMSROJSYSD-GOEBONIOSA-N 2 1 301.390 0.995 20 30 DCEDMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000329940765 336097785 /nfs/dbraw/zinc/09/77/85/336097785.db2.gz UPRAWSUIHIPXGJ-AWEZNQCLSA-N 2 1 312.458 0.820 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001447302970 1159612129 /nfs/dbraw/zinc/61/21/29/1159612129.db2.gz IVYJCEBXMLXVJW-CYBMUJFWSA-N 2 1 303.834 0.898 20 30 DCEDMP COCC#CCN1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567921911 1160536188 /nfs/dbraw/zinc/53/61/88/1160536188.db2.gz IVRREIBKQMUPIU-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567921911 1160536193 /nfs/dbraw/zinc/53/61/93/1160536193.db2.gz IVRREIBKQMUPIU-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567921911 1160536198 /nfs/dbraw/zinc/53/61/98/1160536198.db2.gz IVRREIBKQMUPIU-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567921911 1160536208 /nfs/dbraw/zinc/53/62/08/1160536208.db2.gz IVRREIBKQMUPIU-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261969868 526345720 /nfs/dbraw/zinc/34/57/20/526345720.db2.gz MMYQSMVQOLHDJZ-TZMCWYRMSA-N 2 1 307.442 0.257 20 30 DCEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)NCc1ccco1 ZINC000171409954 526353462 /nfs/dbraw/zinc/35/34/62/526353462.db2.gz CPBGHIIIWRETQW-UHFFFAOYSA-N 2 1 307.398 0.109 20 30 DCEDMP C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262785151 526392282 /nfs/dbraw/zinc/39/22/82/526392282.db2.gz MBTIYLWANBAGFK-GFCCVEGCSA-N 2 1 317.441 0.516 20 30 DCEDMP C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262785151 526392287 /nfs/dbraw/zinc/39/22/87/526392287.db2.gz MBTIYLWANBAGFK-GFCCVEGCSA-N 2 1 317.441 0.516 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000376699235 526723897 /nfs/dbraw/zinc/72/38/97/526723897.db2.gz HEMXRWAQDIFZRU-INIZCTEOSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000376699235 526723901 /nfs/dbraw/zinc/72/39/01/526723901.db2.gz HEMXRWAQDIFZRU-INIZCTEOSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1[nH]nc(N)c1C#N ZINC000267469432 529100841 /nfs/dbraw/zinc/10/08/41/529100841.db2.gz XGTDXDBETGWDII-NSHDSACASA-N 2 1 318.429 0.185 20 30 DCEDMP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001665743096 1174559626 /nfs/dbraw/zinc/55/96/26/1174559626.db2.gz UNHRYCJDQRCBMZ-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980220427 660893664 /nfs/dbraw/zinc/89/36/64/660893664.db2.gz ZRWVBZJGGXGKLD-ARFHVFGLSA-N 2 1 301.434 0.932 20 30 DCEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000981688872 661195532 /nfs/dbraw/zinc/19/55/32/661195532.db2.gz GMERFQIWEIJJKF-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981688872 661195535 /nfs/dbraw/zinc/19/55/35/661195535.db2.gz GMERFQIWEIJJKF-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981688872 661195537 /nfs/dbraw/zinc/19/55/37/661195537.db2.gz GMERFQIWEIJJKF-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981688872 661195539 /nfs/dbraw/zinc/19/55/39/661195539.db2.gz GMERFQIWEIJJKF-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981688872 661195540 /nfs/dbraw/zinc/19/55/40/661195540.db2.gz GMERFQIWEIJJKF-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)O)C2 ZINC000981819199 661222709 /nfs/dbraw/zinc/22/27/09/661222709.db2.gz RNRARRWZDHCDKF-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)O)C2 ZINC000981819199 661222711 /nfs/dbraw/zinc/22/27/11/661222711.db2.gz RNRARRWZDHCDKF-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)O)C2 ZINC000981819199 661222715 /nfs/dbraw/zinc/22/27/15/661222715.db2.gz RNRARRWZDHCDKF-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](C[C@H](C)O)C2 ZINC000981819199 661222718 /nfs/dbraw/zinc/22/27/18/661222718.db2.gz RNRARRWZDHCDKF-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](C[C@H](C)O)C2 ZINC000981819199 661222719 /nfs/dbraw/zinc/22/27/19/661222719.db2.gz RNRARRWZDHCDKF-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP CC#CCN1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551993 657762590 /nfs/dbraw/zinc/76/25/90/657762590.db2.gz JIAGSEZMXQHDLY-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccon3)C2)CC1 ZINC000970792251 657910515 /nfs/dbraw/zinc/91/05/15/657910515.db2.gz HGJMKWNPRYKIDE-MRXNPFEDSA-N 2 1 316.405 0.710 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023550906 657978351 /nfs/dbraw/zinc/97/83/51/657978351.db2.gz PPJWYYOOUVPEJT-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550906 657978356 /nfs/dbraw/zinc/97/83/56/657978356.db2.gz PPJWYYOOUVPEJT-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550906 657978361 /nfs/dbraw/zinc/97/83/61/657978361.db2.gz PPJWYYOOUVPEJT-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001039042881 657991054 /nfs/dbraw/zinc/99/10/54/657991054.db2.gz YJZKOBOYIAZNND-RDJZCZTQSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969834318 658190953 /nfs/dbraw/zinc/19/09/53/658190953.db2.gz XJJHCTSUBQZBGG-WMLDXEAASA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969834318 658190957 /nfs/dbraw/zinc/19/09/57/658190957.db2.gz XJJHCTSUBQZBGG-WMLDXEAASA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969834318 658190958 /nfs/dbraw/zinc/19/09/58/658190958.db2.gz XJJHCTSUBQZBGG-WMLDXEAASA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001023757732 658208329 /nfs/dbraw/zinc/20/83/29/658208329.db2.gz NMFHPCQZJWFHCF-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023757732 658208333 /nfs/dbraw/zinc/20/83/33/658208333.db2.gz NMFHPCQZJWFHCF-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757732 658208337 /nfs/dbraw/zinc/20/83/37/658208337.db2.gz NMFHPCQZJWFHCF-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757732 658208341 /nfs/dbraw/zinc/20/83/41/658208341.db2.gz NMFHPCQZJWFHCF-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179879 658410762 /nfs/dbraw/zinc/41/07/62/658410762.db2.gz RDMCIUSENHKVHF-HOCLYGCPSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179879 658410767 /nfs/dbraw/zinc/41/07/67/658410767.db2.gz RDMCIUSENHKVHF-HOCLYGCPSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413478 658737035 /nfs/dbraw/zinc/73/70/35/658737035.db2.gz KRAVCTOVXNWURJ-SJLPKXTDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413478 658737042 /nfs/dbraw/zinc/73/70/42/658737042.db2.gz KRAVCTOVXNWURJ-SJLPKXTDSA-N 2 1 319.449 0.653 20 30 DCEDMP CCOCCCNC(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000170907958 659397744 /nfs/dbraw/zinc/39/77/44/659397744.db2.gz GGNRKMLGWBAPNZ-CQSZACIVSA-N 2 1 300.447 0.674 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781310 659555652 /nfs/dbraw/zinc/55/56/52/659555652.db2.gz CDMUXYWYCTYLLL-ALYAQQCSSA-N 2 1 301.434 0.931 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781310 659555653 /nfs/dbraw/zinc/55/56/53/659555653.db2.gz CDMUXYWYCTYLLL-ALYAQQCSSA-N 2 1 301.434 0.931 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781310 659555657 /nfs/dbraw/zinc/55/56/57/659555657.db2.gz CDMUXYWYCTYLLL-ALYAQQCSSA-N 2 1 301.434 0.931 20 30 DCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982157246 661299432 /nfs/dbraw/zinc/29/94/32/661299432.db2.gz JIXXHJUMMUIMTL-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982157246 661299434 /nfs/dbraw/zinc/29/94/34/661299434.db2.gz JIXXHJUMMUIMTL-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157246 661299437 /nfs/dbraw/zinc/29/94/37/661299437.db2.gz JIXXHJUMMUIMTL-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157246 661299441 /nfs/dbraw/zinc/29/94/41/661299441.db2.gz JIXXHJUMMUIMTL-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838960 665859065 /nfs/dbraw/zinc/85/90/65/665859065.db2.gz KLMYBMXQEGIVSW-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838960 665859066 /nfs/dbraw/zinc/85/90/66/665859066.db2.gz KLMYBMXQEGIVSW-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838960 665859068 /nfs/dbraw/zinc/85/90/68/665859068.db2.gz KLMYBMXQEGIVSW-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838960 665859069 /nfs/dbraw/zinc/85/90/69/665859069.db2.gz KLMYBMXQEGIVSW-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000947319505 662509352 /nfs/dbraw/zinc/50/93/52/662509352.db2.gz SGMISPZHRONAIM-GJZGRUSLSA-N 2 1 317.437 0.661 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941566538 666023779 /nfs/dbraw/zinc/02/37/79/666023779.db2.gz GOFPTDVIKOOCBT-ZBFHGGJFSA-N 2 1 306.454 0.199 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941566538 666023781 /nfs/dbraw/zinc/02/37/81/666023781.db2.gz GOFPTDVIKOOCBT-ZBFHGGJFSA-N 2 1 306.454 0.199 20 30 DCEDMP C#CC[N@@H+](C)CCCN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000925311497 662898546 /nfs/dbraw/zinc/89/85/46/662898546.db2.gz DUARQZCLZQOCEG-CQSZACIVSA-N 2 1 306.410 0.348 20 30 DCEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900377734 663238961 /nfs/dbraw/zinc/23/89/61/663238961.db2.gz CRRHLDQXEBSRHV-MRXNPFEDSA-N 2 1 310.442 0.527 20 30 DCEDMP C#CCC[NH+]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900473822 663249921 /nfs/dbraw/zinc/24/99/21/663249921.db2.gz JZNWOMYXGCSHDS-UHFFFAOYSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941444077 665995763 /nfs/dbraw/zinc/99/57/63/665995763.db2.gz CSJQMBMJXHOJCY-INIZCTEOSA-N 2 1 308.470 0.587 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991357389 664120589 /nfs/dbraw/zinc/12/05/89/664120589.db2.gz FGZCHMLFOPMTRF-XLMAVXFVSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991357389 664120591 /nfs/dbraw/zinc/12/05/91/664120591.db2.gz FGZCHMLFOPMTRF-XLMAVXFVSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991357389 664120592 /nfs/dbraw/zinc/12/05/92/664120592.db2.gz FGZCHMLFOPMTRF-XLMAVXFVSA-N 2 1 319.449 0.842 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991357389 664120596 /nfs/dbraw/zinc/12/05/96/664120596.db2.gz FGZCHMLFOPMTRF-XLMAVXFVSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992488879 664726470 /nfs/dbraw/zinc/72/64/70/664726470.db2.gz BKIORTAMOCNQQH-HLLBOEOZSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992488879 664726471 /nfs/dbraw/zinc/72/64/71/664726471.db2.gz BKIORTAMOCNQQH-HLLBOEOZSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992488879 664726473 /nfs/dbraw/zinc/72/64/73/664726473.db2.gz BKIORTAMOCNQQH-HLLBOEOZSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992488879 664726474 /nfs/dbraw/zinc/72/64/74/664726474.db2.gz BKIORTAMOCNQQH-HLLBOEOZSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993987188 665023288 /nfs/dbraw/zinc/02/32/88/665023288.db2.gz MALVSSURRLZVLG-ZBFHGGJFSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993987188 665023289 /nfs/dbraw/zinc/02/32/89/665023289.db2.gz MALVSSURRLZVLG-ZBFHGGJFSA-N 2 1 317.437 0.661 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529759 665312272 /nfs/dbraw/zinc/31/22/72/665312272.db2.gz VTIRSQDZXKAAFS-BFKWJSRZSA-N 2 1 317.433 0.711 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529759 665312274 /nfs/dbraw/zinc/31/22/74/665312274.db2.gz VTIRSQDZXKAAFS-BFKWJSRZSA-N 2 1 317.433 0.711 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032529759 665312276 /nfs/dbraw/zinc/31/22/76/665312276.db2.gz VTIRSQDZXKAAFS-BFKWJSRZSA-N 2 1 317.433 0.711 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529759 665312277 /nfs/dbraw/zinc/31/22/77/665312277.db2.gz VTIRSQDZXKAAFS-BFKWJSRZSA-N 2 1 317.433 0.711 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826649 665315527 /nfs/dbraw/zinc/31/55/27/665315527.db2.gz HFONMRNLFGCPRX-OAHLLOKOSA-N 2 1 303.410 0.272 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826649 665315530 /nfs/dbraw/zinc/31/55/30/665315530.db2.gz HFONMRNLFGCPRX-OAHLLOKOSA-N 2 1 303.410 0.272 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431617 665996766 /nfs/dbraw/zinc/99/67/66/665996766.db2.gz QNEWUEJEHHYWTP-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431617 665996768 /nfs/dbraw/zinc/99/67/68/665996768.db2.gz QNEWUEJEHHYWTP-KRWDZBQOSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941437098 665997957 /nfs/dbraw/zinc/99/79/57/665997957.db2.gz RTPUFQLLDFOWMU-INIZCTEOSA-N 2 1 306.454 0.341 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941566714 666023600 /nfs/dbraw/zinc/02/36/00/666023600.db2.gz KPVLVWTZBZQBFN-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003332775 666296117 /nfs/dbraw/zinc/29/61/17/666296117.db2.gz NCEHWZIYTYHMDI-BFHRDPOASA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003334523 666296517 /nfs/dbraw/zinc/29/65/17/666296517.db2.gz WONIIQJMBTWNQV-GNHJJJEISA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@@H]1CCCO1 ZINC001691349973 1157650103 /nfs/dbraw/zinc/65/01/03/1157650103.db2.gz IJFMBAHKIKIAFE-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@@H]1CCCO1 ZINC001691349973 1157650105 /nfs/dbraw/zinc/65/01/05/1157650105.db2.gz IJFMBAHKIKIAFE-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033874995 666848951 /nfs/dbraw/zinc/84/89/51/666848951.db2.gz NNZBVMSULDTHNB-OWCLPIDISA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033874995 666848953 /nfs/dbraw/zinc/84/89/53/666848953.db2.gz NNZBVMSULDTHNB-OWCLPIDISA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033874995 666848955 /nfs/dbraw/zinc/84/89/55/666848955.db2.gz NNZBVMSULDTHNB-OWCLPIDISA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033874995 666848956 /nfs/dbraw/zinc/84/89/56/666848956.db2.gz NNZBVMSULDTHNB-OWCLPIDISA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318692 666988541 /nfs/dbraw/zinc/98/85/41/666988541.db2.gz DVUPJXKXMJTKHE-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034318692 666988543 /nfs/dbraw/zinc/98/85/43/666988543.db2.gz DVUPJXKXMJTKHE-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034318692 666988544 /nfs/dbraw/zinc/98/85/44/666988544.db2.gz DVUPJXKXMJTKHE-LPMVOBIJSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CCOC1 ZINC001032453872 667277460 /nfs/dbraw/zinc/27/74/60/667277460.db2.gz SVKPPMQSZPQALI-QAETUUGQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CCOC1 ZINC001032453872 667277462 /nfs/dbraw/zinc/27/74/62/667277462.db2.gz SVKPPMQSZPQALI-QAETUUGQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1 ZINC001032453872 667277464 /nfs/dbraw/zinc/27/74/64/667277464.db2.gz SVKPPMQSZPQALI-QAETUUGQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032453872 667277466 /nfs/dbraw/zinc/27/74/66/667277466.db2.gz SVKPPMQSZPQALI-QAETUUGQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035371452 667309490 /nfs/dbraw/zinc/30/94/90/667309490.db2.gz SZRIEHUXZPCQOI-JKSUJKDBSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035371452 667309492 /nfs/dbraw/zinc/30/94/92/667309492.db2.gz SZRIEHUXZPCQOI-JKSUJKDBSA-N 2 1 305.422 0.169 20 30 DCEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000866714549 667390024 /nfs/dbraw/zinc/39/00/24/667390024.db2.gz ROKOIMLFNZCHFZ-OWCLPIDISA-N 2 1 312.373 0.925 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000884202227 667497218 /nfs/dbraw/zinc/49/72/18/667497218.db2.gz UFNXBYWUFVXHDP-MRXNPFEDSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000884202227 667497219 /nfs/dbraw/zinc/49/72/19/667497219.db2.gz UFNXBYWUFVXHDP-MRXNPFEDSA-N 2 1 322.453 0.494 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000923329518 667506021 /nfs/dbraw/zinc/50/60/21/667506021.db2.gz VHUJODLMEIJSDX-HRCADAONSA-N 2 1 309.454 0.894 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000838622828 667701373 /nfs/dbraw/zinc/70/13/73/667701373.db2.gz PNCMMRQTMTXCQV-CVEARBPZSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000890371340 668124312 /nfs/dbraw/zinc/12/43/12/668124312.db2.gz SRLHTXRYEZUNQD-HZPDHXFCSA-N 2 1 302.422 0.740 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000890371340 668124313 /nfs/dbraw/zinc/12/43/13/668124313.db2.gz SRLHTXRYEZUNQD-HZPDHXFCSA-N 2 1 302.422 0.740 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926489827 668410045 /nfs/dbraw/zinc/41/00/45/668410045.db2.gz KDPAVKHQZAVUHW-AWEZNQCLSA-N 2 1 315.483 0.591 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926489827 668410044 /nfs/dbraw/zinc/41/00/44/668410044.db2.gz KDPAVKHQZAVUHW-AWEZNQCLSA-N 2 1 315.483 0.591 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000876757727 668503049 /nfs/dbraw/zinc/50/30/49/668503049.db2.gz FQHQUMOFICCAHR-GFCCVEGCSA-N 2 1 316.833 0.125 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000928650741 668611344 /nfs/dbraw/zinc/61/13/44/668611344.db2.gz HESXNPYIZCJINY-AWEZNQCLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000931567244 669222986 /nfs/dbraw/zinc/22/29/86/669222986.db2.gz PNLOPOMHUGXOKE-CQSZACIVSA-N 2 1 318.425 0.664 20 30 DCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC000949048644 669943400 /nfs/dbraw/zinc/94/34/00/669943400.db2.gz ZGWJEHCJMPHZAT-OAHLLOKOSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000949320947 670312005 /nfs/dbraw/zinc/31/20/05/670312005.db2.gz XNFQNABHIALPIE-OAHLLOKOSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949320947 670312008 /nfs/dbraw/zinc/31/20/08/670312008.db2.gz XNFQNABHIALPIE-OAHLLOKOSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949320947 670312010 /nfs/dbraw/zinc/31/20/10/670312010.db2.gz XNFQNABHIALPIE-OAHLLOKOSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949320947 670312012 /nfs/dbraw/zinc/31/20/12/670312012.db2.gz XNFQNABHIALPIE-OAHLLOKOSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[C@@H](COC)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000858335223 670994305 /nfs/dbraw/zinc/99/43/05/670994305.db2.gz PPCQZZZTMNYFNU-HNNXBMFYSA-N 2 1 303.410 0.356 20 30 DCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001755877951 1158320775 /nfs/dbraw/zinc/32/07/75/1158320775.db2.gz FCEOUNUXJKACOU-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N2CCSCC2)CC1 ZINC000303897881 685208288 /nfs/dbraw/zinc/20/82/88/685208288.db2.gz VGNNZUJFEHABJW-AWEZNQCLSA-N 2 1 313.515 0.624 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000305888583 685217747 /nfs/dbraw/zinc/21/77/47/685217747.db2.gz ZRYBMKUNJRFYIX-JSGCOSHPSA-N 2 1 307.442 0.386 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174896 687405791 /nfs/dbraw/zinc/40/57/91/687405791.db2.gz IXRHPMWFORYEOX-CVEARBPZSA-N 2 1 319.449 0.295 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214164 687445402 /nfs/dbraw/zinc/44/54/02/687445402.db2.gz DUOTZGSFVHTMQR-LSDHHAIUSA-N 2 1 307.438 0.600 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC000958554950 687741683 /nfs/dbraw/zinc/74/16/83/687741683.db2.gz JFIIJSZAHRFVNJ-HZPDHXFCSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000960982354 688496483 /nfs/dbraw/zinc/49/64/83/688496483.db2.gz QFKAFCOVSVYBOJ-QLPKVWCKSA-N 2 1 321.384 0.951 20 30 DCEDMP C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2ccnc2)cn1 ZINC000962281147 688871417 /nfs/dbraw/zinc/87/14/17/688871417.db2.gz SMUXEKXZZWUFOX-FOLVSLTJSA-N 2 1 307.357 0.561 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC)CC[C@H]2C)CC1 ZINC000968681619 690365279 /nfs/dbraw/zinc/36/52/79/690365279.db2.gz KQGGCSTWVHQBEQ-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968796687 690392785 /nfs/dbraw/zinc/39/27/85/690392785.db2.gz NEOVPLSDZNNXOQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968796687 690392787 /nfs/dbraw/zinc/39/27/87/690392787.db2.gz NEOVPLSDZNNXOQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796687 690392789 /nfs/dbraw/zinc/39/27/89/690392789.db2.gz NEOVPLSDZNNXOQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796687 690392792 /nfs/dbraw/zinc/39/27/92/690392792.db2.gz NEOVPLSDZNNXOQ-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008279824 690832057 /nfs/dbraw/zinc/83/20/57/690832057.db2.gz JTWGYAYZNRMDHK-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008279824 690832062 /nfs/dbraw/zinc/83/20/62/690832062.db2.gz JTWGYAYZNRMDHK-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279824 690832067 /nfs/dbraw/zinc/83/20/67/690832067.db2.gz JTWGYAYZNRMDHK-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279824 690832070 /nfs/dbraw/zinc/83/20/70/690832070.db2.gz JTWGYAYZNRMDHK-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985902 692821400 /nfs/dbraw/zinc/82/14/00/692821400.db2.gz LXJFPSRFMLHJOO-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985902 692821405 /nfs/dbraw/zinc/82/14/05/692821405.db2.gz LXJFPSRFMLHJOO-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001018985962 693307482 /nfs/dbraw/zinc/30/74/82/693307482.db2.gz NWEZOUCZDPZJQB-ULQDDVLXSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001018985962 693307486 /nfs/dbraw/zinc/30/74/86/693307486.db2.gz NWEZOUCZDPZJQB-ULQDDVLXSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605255 694750145 /nfs/dbraw/zinc/75/01/45/694750145.db2.gz GFJGERKKTGIQRE-DLBZAZTESA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001073673001 694764317 /nfs/dbraw/zinc/76/43/17/694764317.db2.gz SEWOYPFMQHOYIO-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001073673001 694764318 /nfs/dbraw/zinc/76/43/18/694764318.db2.gz SEWOYPFMQHOYIO-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001073673001 694764319 /nfs/dbraw/zinc/76/43/19/694764319.db2.gz SEWOYPFMQHOYIO-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001073673001 694764321 /nfs/dbraw/zinc/76/43/21/694764321.db2.gz SEWOYPFMQHOYIO-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804137 694978015 /nfs/dbraw/zinc/97/80/15/694978015.db2.gz XNVFXUZNSPJPNP-GOEBONIOSA-N 2 1 315.421 0.224 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804137 694978016 /nfs/dbraw/zinc/97/80/16/694978016.db2.gz XNVFXUZNSPJPNP-GOEBONIOSA-N 2 1 315.421 0.224 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001570414811 1162508308 /nfs/dbraw/zinc/50/83/08/1162508308.db2.gz HKAQESFNLTYLLP-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001570843824 1162631747 /nfs/dbraw/zinc/63/17/47/1162631747.db2.gz QHIRSHIWADVRCV-CQSZACIVSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001570846110 1162632964 /nfs/dbraw/zinc/63/29/64/1162632964.db2.gz WHWNPNXXNWOPDY-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001570846110 1162632971 /nfs/dbraw/zinc/63/29/71/1162632971.db2.gz WHWNPNXXNWOPDY-GOEBONIOSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001570916702 1162650069 /nfs/dbraw/zinc/65/00/69/1162650069.db2.gz XDRKFGRDAKEJCA-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001570916702 1162650073 /nfs/dbraw/zinc/65/00/73/1162650073.db2.gz XDRKFGRDAKEJCA-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001570916702 1162650075 /nfs/dbraw/zinc/65/00/75/1162650075.db2.gz XDRKFGRDAKEJCA-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001570916702 1162650077 /nfs/dbraw/zinc/65/00/77/1162650077.db2.gz XDRKFGRDAKEJCA-LVQVYYBASA-N 2 1 307.438 0.577 20 30 DCEDMP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001570986514 1162659614 /nfs/dbraw/zinc/65/96/14/1162659614.db2.gz IOJSTNKTQHBQMY-LSDHHAIUSA-N 2 1 306.410 0.973 20 30 DCEDMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001570987536 1162663655 /nfs/dbraw/zinc/66/36/55/1162663655.db2.gz SDOGDDANRYPGEQ-GJZGRUSLSA-N 2 1 306.410 0.973 20 30 DCEDMP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001570987538 1162663814 /nfs/dbraw/zinc/66/38/14/1162663814.db2.gz SDOGDDANRYPGEQ-LSDHHAIUSA-N 2 1 306.410 0.973 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001676406563 1175443990 /nfs/dbraw/zinc/44/39/90/1175443990.db2.gz CZOIQXHPAPWKQR-JYJNAYRXSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001571588658 1162832683 /nfs/dbraw/zinc/83/26/83/1162832683.db2.gz HQUVKJNCTWEHHO-UKRRQHHQSA-N 2 1 306.410 0.349 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001571603250 1162851862 /nfs/dbraw/zinc/85/18/62/1162851862.db2.gz XAHZDAVTTOEERO-AWEZNQCLSA-N 2 1 323.462 0.808 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001670474631 1157448026 /nfs/dbraw/zinc/44/80/26/1157448026.db2.gz HWRJTEDORMTMIE-YUELXQCFSA-N 2 1 322.453 0.113 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001671604061 1157501286 /nfs/dbraw/zinc/50/12/86/1157501286.db2.gz VOSNKODQKICIPD-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001671604061 1157501290 /nfs/dbraw/zinc/50/12/90/1157501290.db2.gz VOSNKODQKICIPD-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001671604061 1157501292 /nfs/dbraw/zinc/50/12/92/1157501292.db2.gz VOSNKODQKICIPD-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CCOC ZINC001571641378 1162874235 /nfs/dbraw/zinc/87/42/35/1162874235.db2.gz DAGWPVHYPLPIKQ-UHFFFAOYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CCOC ZINC001571641378 1162874243 /nfs/dbraw/zinc/87/42/43/1162874243.db2.gz DAGWPVHYPLPIKQ-UHFFFAOYSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001691146433 1157595793 /nfs/dbraw/zinc/59/57/93/1157595793.db2.gz ULMKQVNLGAJBKK-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691170443 1157604857 /nfs/dbraw/zinc/60/48/57/1157604857.db2.gz BSQWKZOKYWJHHH-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001698991495 1157718879 /nfs/dbraw/zinc/71/88/79/1157718879.db2.gz PMUDAVNPMKJAHI-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001754600547 1157791978 /nfs/dbraw/zinc/79/19/78/1157791978.db2.gz DXRWLKCUQCWDAO-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCOC2)CC1 ZINC001670797613 1158092842 /nfs/dbraw/zinc/09/28/42/1158092842.db2.gz JKHMXMPGIFADAB-CABCVRRESA-N 2 1 305.422 0.359 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCOC2)CC1 ZINC001670797613 1158092849 /nfs/dbraw/zinc/09/28/49/1158092849.db2.gz JKHMXMPGIFADAB-CABCVRRESA-N 2 1 305.422 0.359 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001566033477 1159869990 /nfs/dbraw/zinc/86/99/90/1159869990.db2.gz VSISBNRLLTUZMM-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001566033477 1159870002 /nfs/dbraw/zinc/87/00/02/1159870002.db2.gz VSISBNRLLTUZMM-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001566033477 1159870015 /nfs/dbraw/zinc/87/00/15/1159870015.db2.gz VSISBNRLLTUZMM-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001565848195 1159910144 /nfs/dbraw/zinc/91/01/44/1159910144.db2.gz JDJMPWLAPSQVQA-APIJFGDWSA-N 2 1 322.453 0.256 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC#CCOC ZINC001566952147 1160193242 /nfs/dbraw/zinc/19/32/42/1160193242.db2.gz YMGMHVLJYRAVGP-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)C[C@H]2CCOC2)CC1 ZINC001567353821 1160321627 /nfs/dbraw/zinc/32/16/27/1160321627.db2.gz GZKQTSDTAYFRQK-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567737527 1160468726 /nfs/dbraw/zinc/46/87/26/1160468726.db2.gz CTBZDTBLMDLYQR-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567875851 1160514365 /nfs/dbraw/zinc/51/43/65/1160514365.db2.gz ZGINHAFNCRQPST-MELADBBJSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567875851 1160514371 /nfs/dbraw/zinc/51/43/71/1160514371.db2.gz ZGINHAFNCRQPST-MELADBBJSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001567899524 1160523657 /nfs/dbraw/zinc/52/36/57/1160523657.db2.gz XNIHSQRGGSXNKH-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001567899524 1160523661 /nfs/dbraw/zinc/52/36/61/1160523661.db2.gz XNIHSQRGGSXNKH-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001567899524 1160523662 /nfs/dbraw/zinc/52/36/62/1160523662.db2.gz XNIHSQRGGSXNKH-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001567899524 1160523667 /nfs/dbraw/zinc/52/36/67/1160523667.db2.gz XNIHSQRGGSXNKH-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CCOC ZINC001568175836 1160591381 /nfs/dbraw/zinc/59/13/81/1160591381.db2.gz NKVZDEFIEFJZLY-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001568711473 1160745597 /nfs/dbraw/zinc/74/55/97/1160745597.db2.gz FJHBBVPQBLFIRZ-STQMWFEESA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001568711473 1160745604 /nfs/dbraw/zinc/74/56/04/1160745604.db2.gz FJHBBVPQBLFIRZ-STQMWFEESA-N 2 1 303.834 0.944 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@H]1CCCOC1 ZINC001568748752 1160759094 /nfs/dbraw/zinc/75/90/94/1160759094.db2.gz JJQJSVVBUMVSLT-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@H]1CCCOC1 ZINC001568748752 1160759101 /nfs/dbraw/zinc/75/91/01/1160759101.db2.gz JJQJSVVBUMVSLT-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001569022799 1160921067 /nfs/dbraw/zinc/92/10/67/1160921067.db2.gz YNWPMEZNBNJZNE-HUUCEWRRSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)CC[N@H+](C)CC)C2)CC1 ZINC001569579615 1161154899 /nfs/dbraw/zinc/15/48/99/1161154899.db2.gz NERXZLJKIMFNIP-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001569877186 1161291244 /nfs/dbraw/zinc/29/12/44/1161291244.db2.gz FUAFCIDGDIUWKA-BBWFWOEESA-N 2 1 321.465 0.613 20 30 DCEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001569886449 1161295424 /nfs/dbraw/zinc/29/54/24/1161295424.db2.gz BANJDZJMOQUMMN-HNNXBMFYSA-N 2 1 307.442 0.164 20 30 DCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569896173 1161303511 /nfs/dbraw/zinc/30/35/11/1161303511.db2.gz ZEERFAFFZFQZGL-HOCLYGCPSA-N 2 1 315.433 0.795 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569896173 1161303519 /nfs/dbraw/zinc/30/35/19/1161303519.db2.gz ZEERFAFFZFQZGL-HOCLYGCPSA-N 2 1 315.433 0.795 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001570187849 1161482667 /nfs/dbraw/zinc/48/26/67/1161482667.db2.gz QGFUKRGELXPSLA-OAHLLOKOSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001570187849 1161482670 /nfs/dbraw/zinc/48/26/70/1161482670.db2.gz QGFUKRGELXPSLA-OAHLLOKOSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001570187849 1161482673 /nfs/dbraw/zinc/48/26/73/1161482673.db2.gz QGFUKRGELXPSLA-OAHLLOKOSA-N 2 1 324.469 0.600 20 30 DCEDMP C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575941249 1164189819 /nfs/dbraw/zinc/18/98/19/1164189819.db2.gz MMRBDOQXOZKZJY-YUELXQCFSA-N 2 1 305.426 0.899 20 30 DCEDMP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC001580038212 1165481221 /nfs/dbraw/zinc/48/12/21/1165481221.db2.gz HJHVXGYRJAHNOU-LSDHHAIUSA-N 2 1 318.425 0.819 20 30 DCEDMP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001656772015 1173881072 /nfs/dbraw/zinc/88/10/72/1173881072.db2.gz RDERYDCUIYJKEB-CVEARBPZSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001656772015 1173881079 /nfs/dbraw/zinc/88/10/79/1173881079.db2.gz RDERYDCUIYJKEB-CVEARBPZSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001656772015 1173881086 /nfs/dbraw/zinc/88/10/86/1173881086.db2.gz RDERYDCUIYJKEB-CVEARBPZSA-N 2 1 309.454 0.942 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001661482357 1174130789 /nfs/dbraw/zinc/13/07/89/1174130789.db2.gz JRXBHTNIAUUZGN-LUKYLMHMSA-N 2 1 319.449 0.890 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001663481660 1174305137 /nfs/dbraw/zinc/30/51/37/1174305137.db2.gz MOEPUFNPKCQDKV-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001663481660 1174305145 /nfs/dbraw/zinc/30/51/45/1174305145.db2.gz MOEPUFNPKCQDKV-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001663481660 1174305150 /nfs/dbraw/zinc/30/51/50/1174305150.db2.gz MOEPUFNPKCQDKV-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001663481660 1174305158 /nfs/dbraw/zinc/30/51/58/1174305158.db2.gz MOEPUFNPKCQDKV-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)Cn2cc[nH+]c2C)C1=O ZINC001664369657 1174426028 /nfs/dbraw/zinc/42/60/28/1174426028.db2.gz GSKHRBLAJDDVNA-CQSZACIVSA-N 2 1 319.409 0.026 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001664558069 1174439889 /nfs/dbraw/zinc/43/98/89/1174439889.db2.gz YCXGBTJDXVQUBP-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC001664760189 1174455067 /nfs/dbraw/zinc/45/50/67/1174455067.db2.gz NICIFCULHHIPPV-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001665730249 1174557458 /nfs/dbraw/zinc/55/74/58/1174557458.db2.gz AZQLWQSBCTVMRY-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001665730249 1174557462 /nfs/dbraw/zinc/55/74/62/1174557462.db2.gz AZQLWQSBCTVMRY-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001665743096 1174559622 /nfs/dbraw/zinc/55/96/22/1174559622.db2.gz UNHRYCJDQRCBMZ-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001666323211 1174598996 /nfs/dbraw/zinc/59/89/96/1174598996.db2.gz GZVFUCUDLMZIAH-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001666323211 1174599003 /nfs/dbraw/zinc/59/90/03/1174599003.db2.gz GZVFUCUDLMZIAH-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001667346214 1174676634 /nfs/dbraw/zinc/67/66/34/1174676634.db2.gz OMWKNCGEKRURFN-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001667847692 1174723789 /nfs/dbraw/zinc/72/37/89/1174723789.db2.gz DGINDQWMVFYULB-HNNXBMFYSA-N 2 1 309.454 0.729 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001669930634 1174963580 /nfs/dbraw/zinc/96/35/80/1174963580.db2.gz QCHMYMIIWXWYHD-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CCO)CC1 ZINC001671477175 1175014495 /nfs/dbraw/zinc/01/44/95/1175014495.db2.gz IUWVKCZYCQIPGZ-DLBZAZTESA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001671667234 1175029348 /nfs/dbraw/zinc/02/93/48/1175029348.db2.gz RADSONZFEVOREP-RHSMWYFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001671667234 1175029353 /nfs/dbraw/zinc/02/93/53/1175029353.db2.gz RADSONZFEVOREP-RHSMWYFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001671859005 1175041473 /nfs/dbraw/zinc/04/14/73/1175041473.db2.gz YYJSJCAEBNVLES-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001672430458 1175106716 /nfs/dbraw/zinc/10/67/16/1175106716.db2.gz WVTWWUONQDRYQV-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001672430458 1175106720 /nfs/dbraw/zinc/10/67/20/1175106720.db2.gz WVTWWUONQDRYQV-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001672430458 1175106723 /nfs/dbraw/zinc/10/67/23/1175106723.db2.gz WVTWWUONQDRYQV-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001672677266 1175141283 /nfs/dbraw/zinc/14/12/83/1175141283.db2.gz UULPDYHMNRMAHR-HNNXBMFYSA-N 2 1 320.437 0.741 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001673288119 1175185323 /nfs/dbraw/zinc/18/53/23/1175185323.db2.gz GFQQQKYWBVCMOI-CQSZACIVSA-N 2 1 322.409 0.743 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001674496389 1175279849 /nfs/dbraw/zinc/27/98/49/1175279849.db2.gz XNMFIXGECPXHNV-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001674496389 1175279854 /nfs/dbraw/zinc/27/98/54/1175279854.db2.gz XNMFIXGECPXHNV-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674496389 1175279859 /nfs/dbraw/zinc/27/98/59/1175279859.db2.gz XNMFIXGECPXHNV-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001674496389 1175279864 /nfs/dbraw/zinc/27/98/64/1175279864.db2.gz XNMFIXGECPXHNV-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001674496388 1175280536 /nfs/dbraw/zinc/28/05/36/1175280536.db2.gz XNMFIXGECPXHNV-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001674496388 1175280542 /nfs/dbraw/zinc/28/05/42/1175280542.db2.gz XNMFIXGECPXHNV-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001674496388 1175280545 /nfs/dbraw/zinc/28/05/45/1175280545.db2.gz XNMFIXGECPXHNV-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001674496388 1175280548 /nfs/dbraw/zinc/28/05/48/1175280548.db2.gz XNMFIXGECPXHNV-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001675080550 1175326390 /nfs/dbraw/zinc/32/63/90/1175326390.db2.gz FXNZUZIBQDPUJS-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001675080550 1175326396 /nfs/dbraw/zinc/32/63/96/1175326396.db2.gz FXNZUZIBQDPUJS-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001677160067 1175539310 /nfs/dbraw/zinc/53/93/10/1175539310.db2.gz CEKHHOCBUJQRMZ-CABCVRRESA-N 2 1 320.437 0.773 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001690155577 1177182674 /nfs/dbraw/zinc/18/26/74/1177182674.db2.gz DRLPQBSTTZEWIK-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CCN1CCC[C@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001690391713 1177232296 /nfs/dbraw/zinc/23/22/96/1177232296.db2.gz HWOOUEZSPHUZCB-OAHLLOKOSA-N 2 1 318.421 0.739 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001690400820 1177235821 /nfs/dbraw/zinc/23/58/21/1177235821.db2.gz XMDZDOIOKYYPBS-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001690882436 1177342009 /nfs/dbraw/zinc/34/20/09/1177342009.db2.gz NVNMUPZZHXVESV-ZIAGYGMSSA-N 2 1 310.442 0.065 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1OCC ZINC001692042383 1177408173 /nfs/dbraw/zinc/40/81/73/1177408173.db2.gz RCUMELVYDPALTR-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001698570407 1177563851 /nfs/dbraw/zinc/56/38/51/1177563851.db2.gz UJKNRYDQQMLZBC-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001698570407 1177563854 /nfs/dbraw/zinc/56/38/54/1177563854.db2.gz UJKNRYDQQMLZBC-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001698672114 1177605271 /nfs/dbraw/zinc/60/52/71/1177605271.db2.gz ISSSHJQZXYJMAJ-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001698672114 1177605273 /nfs/dbraw/zinc/60/52/73/1177605273.db2.gz ISSSHJQZXYJMAJ-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP COCC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001698698783 1177611149 /nfs/dbraw/zinc/61/11/49/1177611149.db2.gz QJNPJRMLRAWBOQ-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699047781 1177796482 /nfs/dbraw/zinc/79/64/82/1177796482.db2.gz ONRNJWRGOBHUNO-GDBMZVCRSA-N 2 1 309.454 0.894 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001699060027 1177811661 /nfs/dbraw/zinc/81/16/61/1177811661.db2.gz CAEDQRWIBIZTBP-CVEARBPZSA-N 2 1 307.438 0.483 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699260885 1178001535 /nfs/dbraw/zinc/00/15/35/1178001535.db2.gz MCHSMYBMRIWFBT-XQIWKARSSA-N 2 1 322.453 0.279 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cn1 ZINC001699407995 1178122914 /nfs/dbraw/zinc/12/29/14/1178122914.db2.gz YRWICSFHOKUKSV-BBRMVZONSA-N 2 1 318.396 0.913 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cn1 ZINC001699407995 1178122915 /nfs/dbraw/zinc/12/29/15/1178122915.db2.gz YRWICSFHOKUKSV-BBRMVZONSA-N 2 1 318.396 0.913 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001699759456 1178277030 /nfs/dbraw/zinc/27/70/30/1178277030.db2.gz VWTCUDWMZNXWHA-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001699880930 1178329033 /nfs/dbraw/zinc/32/90/33/1178329033.db2.gz SEYKDOVZUNKBLB-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001699904177 1178358955 /nfs/dbraw/zinc/35/89/55/1178358955.db2.gz LOEBQRKBPZOCPO-QGZVFWFLSA-N 2 1 318.421 0.548 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001699904177 1178358964 /nfs/dbraw/zinc/35/89/64/1178358964.db2.gz LOEBQRKBPZOCPO-QGZVFWFLSA-N 2 1 318.421 0.548 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001699906431 1178362409 /nfs/dbraw/zinc/36/24/09/1178362409.db2.gz KGXKDGITCSCZTC-WBVHZDCISA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001699906431 1178362417 /nfs/dbraw/zinc/36/24/17/1178362417.db2.gz KGXKDGITCSCZTC-WBVHZDCISA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001699906431 1178362425 /nfs/dbraw/zinc/36/24/25/1178362425.db2.gz KGXKDGITCSCZTC-WBVHZDCISA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001700253301 1178555125 /nfs/dbraw/zinc/55/51/25/1178555125.db2.gz RZXHKYSOZFTLBN-BBWFWOEESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001700253301 1178555129 /nfs/dbraw/zinc/55/51/29/1178555129.db2.gz RZXHKYSOZFTLBN-BBWFWOEESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001700321399 1178581419 /nfs/dbraw/zinc/58/14/19/1178581419.db2.gz ZYQAJVDSTWLYCG-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001700321399 1178581421 /nfs/dbraw/zinc/58/14/21/1178581421.db2.gz ZYQAJVDSTWLYCG-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001700321399 1178581424 /nfs/dbraw/zinc/58/14/24/1178581424.db2.gz ZYQAJVDSTWLYCG-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001700321399 1178581427 /nfs/dbraw/zinc/58/14/27/1178581427.db2.gz ZYQAJVDSTWLYCG-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001707075623 1180411177 /nfs/dbraw/zinc/41/11/77/1180411177.db2.gz ICGVVKLGLABSKL-KBXIAJHMSA-N 2 1 322.453 0.113 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001713074375 1180666541 /nfs/dbraw/zinc/66/65/41/1180666541.db2.gz SDFWPTYLPCAFOV-JKSUJKDBSA-N 2 1 306.454 0.084 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001713074375 1180666543 /nfs/dbraw/zinc/66/65/43/1180666543.db2.gz SDFWPTYLPCAFOV-JKSUJKDBSA-N 2 1 306.454 0.084 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001713508580 1180882748 /nfs/dbraw/zinc/88/27/48/1180882748.db2.gz MUZSCEMFDAJLNC-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001713508580 1180882756 /nfs/dbraw/zinc/88/27/56/1180882756.db2.gz MUZSCEMFDAJLNC-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCCC)CC1 ZINC001713806626 1181083332 /nfs/dbraw/zinc/08/33/32/1181083332.db2.gz JNGWDMMMUJGDRA-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCCC)CC1 ZINC001713806626 1181083336 /nfs/dbraw/zinc/08/33/36/1181083336.db2.gz JNGWDMMMUJGDRA-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccn1 ZINC001714244226 1181293026 /nfs/dbraw/zinc/29/30/26/1181293026.db2.gz PTAGRQDXXADACJ-ZBFHGGJFSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccn1 ZINC001714244226 1181293030 /nfs/dbraw/zinc/29/30/30/1181293030.db2.gz PTAGRQDXXADACJ-ZBFHGGJFSA-N 2 1 300.406 0.774 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001714296627 1181310973 /nfs/dbraw/zinc/31/09/73/1181310973.db2.gz PMHQECSFLMKPIO-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)C[C@H]1CCOC1 ZINC001714656275 1181463427 /nfs/dbraw/zinc/46/34/27/1181463427.db2.gz VHEXSVMRYLVFES-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)C[C@H]1CCOC1 ZINC001714656275 1181463428 /nfs/dbraw/zinc/46/34/28/1181463428.db2.gz VHEXSVMRYLVFES-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)C[C@H]1CCOC1 ZINC001714656275 1181463431 /nfs/dbraw/zinc/46/34/31/1181463431.db2.gz VHEXSVMRYLVFES-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)C[C@H]1CCOC1 ZINC001714656275 1181463432 /nfs/dbraw/zinc/46/34/32/1181463432.db2.gz VHEXSVMRYLVFES-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)c1ncccn1 ZINC001714714055 1181497690 /nfs/dbraw/zinc/49/76/90/1181497690.db2.gz CVENMLQAOOHWIG-CABCVRRESA-N 2 1 315.421 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)c1ncccn1 ZINC001714714055 1181497695 /nfs/dbraw/zinc/49/76/95/1181497695.db2.gz CVENMLQAOOHWIG-CABCVRRESA-N 2 1 315.421 0.683 20 30 DCEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001714907554 1181596903 /nfs/dbraw/zinc/59/69/03/1181596903.db2.gz IPOYIUXBCZEKHV-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001714907554 1181596906 /nfs/dbraw/zinc/59/69/06/1181596906.db2.gz IPOYIUXBCZEKHV-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001714907554 1181596910 /nfs/dbraw/zinc/59/69/10/1181596910.db2.gz IPOYIUXBCZEKHV-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001714907554 1181596914 /nfs/dbraw/zinc/59/69/14/1181596914.db2.gz IPOYIUXBCZEKHV-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001715374552 1181795255 /nfs/dbraw/zinc/79/52/55/1181795255.db2.gz JIAVAXPRCALVHV-QWHCGFSZSA-N 2 1 321.425 0.319 20 30 DCEDMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001715396422 1181801334 /nfs/dbraw/zinc/80/13/34/1181801334.db2.gz YGXFGOAFOHIRME-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001715396422 1181801344 /nfs/dbraw/zinc/80/13/44/1181801344.db2.gz YGXFGOAFOHIRME-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001716004177 1182141219 /nfs/dbraw/zinc/14/12/19/1182141219.db2.gz RXGNITMLTJYNCM-KGLIPLIRSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001716004177 1182141225 /nfs/dbraw/zinc/14/12/25/1182141225.db2.gz RXGNITMLTJYNCM-KGLIPLIRSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716004177 1182141231 /nfs/dbraw/zinc/14/12/31/1182141231.db2.gz RXGNITMLTJYNCM-KGLIPLIRSA-N 2 1 310.442 0.019 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001716004177 1182141234 /nfs/dbraw/zinc/14/12/34/1182141234.db2.gz RXGNITMLTJYNCM-KGLIPLIRSA-N 2 1 310.442 0.019 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716086375 1182181667 /nfs/dbraw/zinc/18/16/67/1182181667.db2.gz VWPCHEFVWDUZIH-GOEBONIOSA-N 2 1 307.438 0.341 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001716329882 1182338771 /nfs/dbraw/zinc/33/87/71/1182338771.db2.gz KUFNZWPYMPGTEJ-DPOFCPOHSA-N 2 1 320.437 0.130 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001716849782 1182549330 /nfs/dbraw/zinc/54/93/30/1182549330.db2.gz DITDLGZVVWFWKO-QGZVFWFLSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001716849782 1182549334 /nfs/dbraw/zinc/54/93/34/1182549334.db2.gz DITDLGZVVWFWKO-QGZVFWFLSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001716849782 1182549336 /nfs/dbraw/zinc/54/93/36/1182549336.db2.gz DITDLGZVVWFWKO-QGZVFWFLSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001716849782 1182549339 /nfs/dbraw/zinc/54/93/39/1182549339.db2.gz DITDLGZVVWFWKO-QGZVFWFLSA-N 2 1 322.453 0.048 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001717023916 1182630886 /nfs/dbraw/zinc/63/08/86/1182630886.db2.gz ZHXSALVFLIVNFQ-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001717023916 1182630891 /nfs/dbraw/zinc/63/08/91/1182630891.db2.gz ZHXSALVFLIVNFQ-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001717023916 1182630897 /nfs/dbraw/zinc/63/08/97/1182630897.db2.gz ZHXSALVFLIVNFQ-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001717023916 1182630900 /nfs/dbraw/zinc/63/09/00/1182630900.db2.gz ZHXSALVFLIVNFQ-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001717062294 1182659483 /nfs/dbraw/zinc/65/94/83/1182659483.db2.gz OQDZADQOEAATJC-HOTGVXAUSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001717189840 1182720828 /nfs/dbraw/zinc/72/08/28/1182720828.db2.gz ISBAAPSIQTZVCD-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001717303668 1182773408 /nfs/dbraw/zinc/77/34/08/1182773408.db2.gz XTZZKHYTECFKSM-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)C[C@@H](C)O)CC1 ZINC001717376131 1182808469 /nfs/dbraw/zinc/80/84/69/1182808469.db2.gz KWMQRXSAFHWZKS-NVXWUHKLSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001717629322 1182931054 /nfs/dbraw/zinc/93/10/54/1182931054.db2.gz NUAUWRZPBFBWCO-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001717629322 1182931059 /nfs/dbraw/zinc/93/10/59/1182931059.db2.gz NUAUWRZPBFBWCO-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001717829679 1183021095 /nfs/dbraw/zinc/02/10/95/1183021095.db2.gz IWFSWNJOACPDPO-OCCSQVGLSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001717839295 1183026023 /nfs/dbraw/zinc/02/60/23/1183026023.db2.gz FWRJNWQZKCCWOH-DOTOQJQBSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001717839295 1183026025 /nfs/dbraw/zinc/02/60/25/1183026025.db2.gz FWRJNWQZKCCWOH-DOTOQJQBSA-N 2 1 305.422 0.455 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001717860402 1183036767 /nfs/dbraw/zinc/03/67/67/1183036767.db2.gz KWCGBWDWDBNKSD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001717860402 1183036770 /nfs/dbraw/zinc/03/67/70/1183036770.db2.gz KWCGBWDWDBNKSD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001717860402 1183036780 /nfs/dbraw/zinc/03/67/80/1183036780.db2.gz KWCGBWDWDBNKSD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001717860402 1183036784 /nfs/dbraw/zinc/03/67/84/1183036784.db2.gz KWCGBWDWDBNKSD-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001722992179 1184243293 /nfs/dbraw/zinc/24/32/93/1184243293.db2.gz TUJHYGFUZFJNAU-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001723514532 1184322303 /nfs/dbraw/zinc/32/23/03/1184322303.db2.gz HVHLXAOAWBGVKN-CQSZACIVSA-N 2 1 322.453 0.400 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CCO)CC1 ZINC001724053575 1184373504 /nfs/dbraw/zinc/37/35/04/1184373504.db2.gz KQHSMLLXPKYLSC-HOTGVXAUSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001724903310 1184611847 /nfs/dbraw/zinc/61/18/47/1184611847.db2.gz GKWOLVTUZMHTDG-FUHWJXTLSA-N 2 1 317.433 0.050 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001724903310 1184611851 /nfs/dbraw/zinc/61/18/51/1184611851.db2.gz GKWOLVTUZMHTDG-FUHWJXTLSA-N 2 1 317.433 0.050 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001724918260 1184620077 /nfs/dbraw/zinc/62/00/77/1184620077.db2.gz FOLXANRANNEUNO-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCOCC[N@@H+](C)CC#CC ZINC001725433458 1184823447 /nfs/dbraw/zinc/82/34/47/1184823447.db2.gz AIPOHPOUJMCTQQ-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCOCC[N@H+](C)CC#CC ZINC001725433458 1184823456 /nfs/dbraw/zinc/82/34/56/1184823456.db2.gz AIPOHPOUJMCTQQ-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCOCC[NH+](C)CC#CC ZINC001725433458 1184823462 /nfs/dbraw/zinc/82/34/62/1184823462.db2.gz AIPOHPOUJMCTQQ-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCOCC[NH+](C)CC#CC ZINC001725433458 1184823466 /nfs/dbraw/zinc/82/34/66/1184823466.db2.gz AIPOHPOUJMCTQQ-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001725612320 1184910908 /nfs/dbraw/zinc/91/09/08/1184910908.db2.gz VHIZOAUNICTGNB-RDJZCZTQSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001725790931 1184995894 /nfs/dbraw/zinc/99/58/94/1184995894.db2.gz RPHRUQLSVMXGGD-UHFFFAOYSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001731361142 1185293823 /nfs/dbraw/zinc/29/38/23/1185293823.db2.gz ODNDBHNFFLGYQV-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001731361142 1185293826 /nfs/dbraw/zinc/29/38/26/1185293826.db2.gz ODNDBHNFFLGYQV-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001731361142 1185293828 /nfs/dbraw/zinc/29/38/28/1185293828.db2.gz ODNDBHNFFLGYQV-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP C=CCC[NH+]1CCN(CCCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001731362686 1185296476 /nfs/dbraw/zinc/29/64/76/1185296476.db2.gz GGUPPWIYGVIKSZ-UHFFFAOYSA-N 2 1 319.453 0.892 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001731487517 1185355560 /nfs/dbraw/zinc/35/55/60/1185355560.db2.gz JRXBHTNIAUUZGN-YVSFHVDLSA-N 2 1 319.449 0.890 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001731487516 1185355863 /nfs/dbraw/zinc/35/58/63/1185355863.db2.gz JRXBHTNIAUUZGN-VVLHAWIVSA-N 2 1 319.449 0.890 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001731528695 1185375843 /nfs/dbraw/zinc/37/58/43/1185375843.db2.gz GZFGIYKPCCJCTF-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)[C@H](C)C(N)=O)CC1 ZINC001731873701 1185542045 /nfs/dbraw/zinc/54/20/45/1185542045.db2.gz NODKRUVVKAJZPG-CQSZACIVSA-N 2 1 322.453 0.034 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001731952325 1185603214 /nfs/dbraw/zinc/60/32/14/1185603214.db2.gz MWPOPRPLSJTREN-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001732058972 1185650627 /nfs/dbraw/zinc/65/06/27/1185650627.db2.gz DWKQYNBSRUEOCD-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001732398054 1185799237 /nfs/dbraw/zinc/79/92/37/1185799237.db2.gz FIGMRAGAFBFCEN-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001733488093 1186295924 /nfs/dbraw/zinc/29/59/24/1186295924.db2.gz KQMKRZIZRIDBKA-MRXNPFEDSA-N 2 1 307.438 0.744 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001733510821 1186318387 /nfs/dbraw/zinc/31/83/87/1186318387.db2.gz BONXBPHNHWZWBQ-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001733572560 1186336129 /nfs/dbraw/zinc/33/61/29/1186336129.db2.gz RGDDXHZSEXDOEX-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001733572560 1186336133 /nfs/dbraw/zinc/33/61/33/1186336133.db2.gz RGDDXHZSEXDOEX-XHSDSOJGSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001733692231 1186400594 /nfs/dbraw/zinc/40/05/94/1186400594.db2.gz YPBZBMLHVKSLIJ-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001733692231 1186400597 /nfs/dbraw/zinc/40/05/97/1186400597.db2.gz YPBZBMLHVKSLIJ-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCC=C)C1 ZINC001733737864 1186422753 /nfs/dbraw/zinc/42/27/53/1186422753.db2.gz DTOLTLYLUYGRSN-CVEARBPZSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCC=C)C1 ZINC001733737864 1186422755 /nfs/dbraw/zinc/42/27/55/1186422755.db2.gz DTOLTLYLUYGRSN-CVEARBPZSA-N 2 1 305.422 0.477 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001733900074 1186492497 /nfs/dbraw/zinc/49/24/97/1186492497.db2.gz JPVWBNDQCGISAD-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001734545083 1186687211 /nfs/dbraw/zinc/68/72/11/1186687211.db2.gz QTXZNXFXZATPBF-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001734545083 1186687214 /nfs/dbraw/zinc/68/72/14/1186687214.db2.gz QTXZNXFXZATPBF-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001734545083 1186687217 /nfs/dbraw/zinc/68/72/17/1186687217.db2.gz QTXZNXFXZATPBF-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001752375542 1188419484 /nfs/dbraw/zinc/41/94/84/1188419484.db2.gz QFCWKPXHFKPTBC-DLBZAZTESA-N 2 1 320.481 0.474 20 30 DCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001752927093 1188463133 /nfs/dbraw/zinc/46/31/33/1188463133.db2.gz LKDUFGPHTFLSBT-GJZGRUSLSA-N 2 1 322.453 0.069 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncn1C ZINC001753972583 1188700220 /nfs/dbraw/zinc/70/02/20/1188700220.db2.gz XSTBMXHABNGEAE-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncn1C ZINC001753972583 1188700222 /nfs/dbraw/zinc/70/02/22/1188700222.db2.gz XSTBMXHABNGEAE-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001754975400 1188985823 /nfs/dbraw/zinc/98/58/23/1188985823.db2.gz YBONOMQUJYNKAM-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001754975400 1188985825 /nfs/dbraw/zinc/98/58/25/1188985825.db2.gz YBONOMQUJYNKAM-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCOCC)C1 ZINC001755379922 1189095694 /nfs/dbraw/zinc/09/56/94/1189095694.db2.gz VWOCOVIODBYISD-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCOCC)C1 ZINC001755379922 1189095699 /nfs/dbraw/zinc/09/56/99/1189095699.db2.gz VWOCOVIODBYISD-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001755448291 1189115441 /nfs/dbraw/zinc/11/54/41/1189115441.db2.gz QOBYPGZODKNCGQ-HIFRSBDPSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001755544563 1189143666 /nfs/dbraw/zinc/14/36/66/1189143666.db2.gz WITFWMANULOEBY-OAHLLOKOSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001755544563 1189143668 /nfs/dbraw/zinc/14/36/68/1189143668.db2.gz WITFWMANULOEBY-OAHLLOKOSA-N 2 1 318.421 0.452 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC001124836290 751720293 /nfs/dbraw/zinc/72/02/93/751720293.db2.gz FGVSDDZKNMSBSY-INIZCTEOSA-N 2 1 316.405 0.889 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192616 746970948 /nfs/dbraw/zinc/97/09/48/746970948.db2.gz IZVSVMFCEFDRLF-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192616 746970951 /nfs/dbraw/zinc/97/09/51/746970951.db2.gz IZVSVMFCEFDRLF-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192616 746970954 /nfs/dbraw/zinc/97/09/54/746970954.db2.gz IZVSVMFCEFDRLF-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192616 746970957 /nfs/dbraw/zinc/97/09/57/746970957.db2.gz IZVSVMFCEFDRLF-OWCLPIDISA-N 2 1 307.438 0.958 20 30 DCEDMP CC#CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001167461063 747254745 /nfs/dbraw/zinc/25/47/45/747254745.db2.gz WQWXLPKHFQWWAM-UHFFFAOYSA-N 2 1 307.438 0.608 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001083278977 747772774 /nfs/dbraw/zinc/77/27/74/747772774.db2.gz BQJUSEDOYSHPFT-ARFHVFGLSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001083278977 747772776 /nfs/dbraw/zinc/77/27/76/747772776.db2.gz BQJUSEDOYSHPFT-ARFHVFGLSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083278977 747772779 /nfs/dbraw/zinc/77/27/79/747772779.db2.gz BQJUSEDOYSHPFT-ARFHVFGLSA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083278977 747772782 /nfs/dbraw/zinc/77/27/82/747772782.db2.gz BQJUSEDOYSHPFT-ARFHVFGLSA-N 2 1 323.437 0.195 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167737403 747977336 /nfs/dbraw/zinc/97/73/36/747977336.db2.gz SGEKDDWMCHEAKQ-MRXNPFEDSA-N 2 1 321.465 0.854 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836683 749076170 /nfs/dbraw/zinc/07/61/70/749076170.db2.gz DKEZPTUDIZEGFU-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836683 749076173 /nfs/dbraw/zinc/07/61/73/749076173.db2.gz DKEZPTUDIZEGFU-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836683 749076177 /nfs/dbraw/zinc/07/61/77/749076177.db2.gz DKEZPTUDIZEGFU-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836683 749076180 /nfs/dbraw/zinc/07/61/80/749076180.db2.gz DKEZPTUDIZEGFU-XHSDSOJGSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574584 749679545 /nfs/dbraw/zinc/67/95/45/749679545.db2.gz DBQYZEPCWYLUKF-CABCVRRESA-N 2 1 317.437 0.661 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127973 750213953 /nfs/dbraw/zinc/21/39/53/750213953.db2.gz RQLYFEHLCGZNTK-BZUAXINKSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127973 750213957 /nfs/dbraw/zinc/21/39/57/750213957.db2.gz RQLYFEHLCGZNTK-BZUAXINKSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127973 750213959 /nfs/dbraw/zinc/21/39/59/750213959.db2.gz RQLYFEHLCGZNTK-BZUAXINKSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077132146 750217738 /nfs/dbraw/zinc/21/77/38/750217738.db2.gz PWYWKKFBJFZEEL-OWCLPIDISA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077132146 750217741 /nfs/dbraw/zinc/21/77/41/750217741.db2.gz PWYWKKFBJFZEEL-OWCLPIDISA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077132146 750217747 /nfs/dbraw/zinc/21/77/47/750217747.db2.gz PWYWKKFBJFZEEL-OWCLPIDISA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077132146 750217751 /nfs/dbraw/zinc/21/77/51/750217751.db2.gz PWYWKKFBJFZEEL-OWCLPIDISA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001098762514 750699542 /nfs/dbraw/zinc/69/95/42/750699542.db2.gz MXWAYMDFHZWLRJ-HNNXBMFYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001098762514 750699543 /nfs/dbraw/zinc/69/95/43/750699543.db2.gz MXWAYMDFHZWLRJ-HNNXBMFYSA-N 2 1 320.441 0.669 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430121 752889501 /nfs/dbraw/zinc/88/95/01/752889501.db2.gz BCKGNNMSGSESMM-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430121 752889505 /nfs/dbraw/zinc/88/95/05/752889505.db2.gz BCKGNNMSGSESMM-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430121 752889509 /nfs/dbraw/zinc/88/95/09/752889509.db2.gz BCKGNNMSGSESMM-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CN(C)CCO1)C2 ZINC001045925803 753372333 /nfs/dbraw/zinc/37/23/33/753372333.db2.gz UWROTZNWDQNHCF-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046081498 753470387 /nfs/dbraw/zinc/47/03/87/753470387.db2.gz GNRQCJBQELIDIS-KRWDZBQOSA-N 2 1 318.465 0.324 20 30 DCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001047386193 754234490 /nfs/dbraw/zinc/23/44/90/754234490.db2.gz OLGCRYLYABAOEX-FZKCQIBNSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386193 754234494 /nfs/dbraw/zinc/23/44/94/754234494.db2.gz OLGCRYLYABAOEX-FZKCQIBNSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386193 754234502 /nfs/dbraw/zinc/23/45/02/754234502.db2.gz OLGCRYLYABAOEX-FZKCQIBNSA-N 2 1 309.454 0.796 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047431909 754275678 /nfs/dbraw/zinc/27/56/78/754275678.db2.gz KUXYKTXTCSPFJR-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047431909 754275681 /nfs/dbraw/zinc/27/56/81/754275681.db2.gz KUXYKTXTCSPFJR-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001047431909 754275686 /nfs/dbraw/zinc/27/56/86/754275686.db2.gz KUXYKTXTCSPFJR-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047431909 754275691 /nfs/dbraw/zinc/27/56/91/754275691.db2.gz KUXYKTXTCSPFJR-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001047638193 754452823 /nfs/dbraw/zinc/45/28/23/754452823.db2.gz GGUOYUUQTFIOMO-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001047638193 754452824 /nfs/dbraw/zinc/45/28/24/754452824.db2.gz GGUOYUUQTFIOMO-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638193 754452826 /nfs/dbraw/zinc/45/28/26/754452826.db2.gz GGUOYUUQTFIOMO-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638193 754452827 /nfs/dbraw/zinc/45/28/27/754452827.db2.gz GGUOYUUQTFIOMO-JYJNAYRXSA-N 2 1 309.454 0.940 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001048514134 754784979 /nfs/dbraw/zinc/78/49/79/754784979.db2.gz BNZIXAAVGCRHNO-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001048514134 754784983 /nfs/dbraw/zinc/78/49/83/754784983.db2.gz BNZIXAAVGCRHNO-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048514134 754784984 /nfs/dbraw/zinc/78/49/84/754784984.db2.gz BNZIXAAVGCRHNO-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048514134 754784987 /nfs/dbraw/zinc/78/49/87/754784987.db2.gz BNZIXAAVGCRHNO-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCO)C2)CC1 ZINC001072095017 762351880 /nfs/dbraw/zinc/35/18/80/762351880.db2.gz DZJDDCHFCOTPED-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006056 755069631 /nfs/dbraw/zinc/06/96/31/755069631.db2.gz LWGQDIBNAIYHQI-OWCLPIDISA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006056 755069639 /nfs/dbraw/zinc/06/96/39/755069639.db2.gz LWGQDIBNAIYHQI-OWCLPIDISA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006056 755069645 /nfs/dbraw/zinc/06/96/45/755069645.db2.gz LWGQDIBNAIYHQI-OWCLPIDISA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006056 755069652 /nfs/dbraw/zinc/06/96/52/755069652.db2.gz LWGQDIBNAIYHQI-OWCLPIDISA-N 2 1 307.438 0.672 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791108 755400778 /nfs/dbraw/zinc/40/07/78/755400778.db2.gz PWGSBUMWNHGKLG-JKSUJKDBSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791108 755400781 /nfs/dbraw/zinc/40/07/81/755400781.db2.gz PWGSBUMWNHGKLG-JKSUJKDBSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](C)O)CC2)CC1 ZINC001052957032 755885567 /nfs/dbraw/zinc/88/55/67/755885567.db2.gz CJBFVOUOIGDHRA-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788639 756785884 /nfs/dbraw/zinc/78/58/84/756785884.db2.gz UINSYNPIEWWMSB-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788639 756785877 /nfs/dbraw/zinc/78/58/77/756785877.db2.gz UINSYNPIEWWMSB-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788639 756785881 /nfs/dbraw/zinc/78/58/81/756785881.db2.gz UINSYNPIEWWMSB-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796381 756788500 /nfs/dbraw/zinc/78/85/00/756788500.db2.gz SBIDCTGBUDSRPT-BZUAXINKSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796381 756788503 /nfs/dbraw/zinc/78/85/03/756788503.db2.gz SBIDCTGBUDSRPT-BZUAXINKSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796381 756788506 /nfs/dbraw/zinc/78/85/06/756788506.db2.gz SBIDCTGBUDSRPT-BZUAXINKSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796381 756788509 /nfs/dbraw/zinc/78/85/09/756788509.db2.gz SBIDCTGBUDSRPT-BZUAXINKSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377300 757084738 /nfs/dbraw/zinc/08/47/38/757084738.db2.gz LDFSQDVRAOYUHP-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377300 757084747 /nfs/dbraw/zinc/08/47/47/757084747.db2.gz LDFSQDVRAOYUHP-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377300 757084757 /nfs/dbraw/zinc/08/47/57/757084757.db2.gz LDFSQDVRAOYUHP-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377300 757084763 /nfs/dbraw/zinc/08/47/63/757084763.db2.gz LDFSQDVRAOYUHP-RBSFLKMASA-N 2 1 311.426 0.099 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](O)C1 ZINC001090380892 757271813 /nfs/dbraw/zinc/27/18/13/757271813.db2.gz HGOBMJYABWZAKX-JKSUJKDBSA-N 2 1 314.389 0.994 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050525939 757796939 /nfs/dbraw/zinc/79/69/39/757796939.db2.gz ORBHEMUWBXJCSK-CVEARBPZSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@@H]21 ZINC001085016914 758168994 /nfs/dbraw/zinc/16/89/94/758168994.db2.gz VOUIFWSOCMBIMF-IXDOHACOSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016914 758168998 /nfs/dbraw/zinc/16/89/98/758168998.db2.gz VOUIFWSOCMBIMF-IXDOHACOSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016914 758169000 /nfs/dbraw/zinc/16/90/00/758169000.db2.gz VOUIFWSOCMBIMF-IXDOHACOSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016914 758169008 /nfs/dbraw/zinc/16/90/08/758169008.db2.gz VOUIFWSOCMBIMF-IXDOHACOSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085601653 759115206 /nfs/dbraw/zinc/11/52/06/759115206.db2.gz CQQASAVKYVVZSV-OAHLLOKOSA-N 2 1 317.437 0.614 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081468 759165024 /nfs/dbraw/zinc/16/50/24/759165024.db2.gz BRTIZYUGZPFZFM-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081468 759165033 /nfs/dbraw/zinc/16/50/33/759165033.db2.gz BRTIZYUGZPFZFM-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001098392309 759231490 /nfs/dbraw/zinc/23/14/90/759231490.db2.gz PJYQTGWYPDMPPS-UHFFFAOYSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098392309 759231495 /nfs/dbraw/zinc/23/14/95/759231495.db2.gz PJYQTGWYPDMPPS-UHFFFAOYSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098392309 759231502 /nfs/dbraw/zinc/23/15/02/759231502.db2.gz PJYQTGWYPDMPPS-UHFFFAOYSA-N 2 1 307.438 0.389 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2cncn2C)[C@H](O)C1 ZINC001100094632 760245219 /nfs/dbraw/zinc/24/52/19/760245219.db2.gz PVPYJGDFLHOBQE-LSDHHAIUSA-N 2 1 306.410 0.480 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 ZINC001100094629 760245337 /nfs/dbraw/zinc/24/53/37/760245337.db2.gz PVPYJGDFLHOBQE-CABCVRRESA-N 2 1 306.410 0.480 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001098446079 760278979 /nfs/dbraw/zinc/27/89/79/760278979.db2.gz DXWJJPJBCTWNDK-UHFFFAOYSA-N 2 1 321.465 0.779 20 30 DCEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144189 760321689 /nfs/dbraw/zinc/32/16/89/760321689.db2.gz BDAYEBMJZBUBJY-LLVKDONJSA-N 2 1 320.231 0.322 20 30 DCEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144189 760321695 /nfs/dbraw/zinc/32/16/95/760321695.db2.gz BDAYEBMJZBUBJY-LLVKDONJSA-N 2 1 320.231 0.322 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148646603 768023351 /nfs/dbraw/zinc/02/33/51/768023351.db2.gz DMNSBJAXSXPARY-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001148646603 768023355 /nfs/dbraw/zinc/02/33/55/768023355.db2.gz DMNSBJAXSXPARY-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148646603 768023359 /nfs/dbraw/zinc/02/33/59/768023359.db2.gz DMNSBJAXSXPARY-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148646603 768023363 /nfs/dbraw/zinc/02/33/63/768023363.db2.gz DMNSBJAXSXPARY-UHFFFAOYSA-N 2 1 322.453 0.165 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981120 761629509 /nfs/dbraw/zinc/62/95/09/761629509.db2.gz MEQQFCRKCUKHEG-PMPSAXMXSA-N 2 1 317.433 0.454 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981120 761629514 /nfs/dbraw/zinc/62/95/14/761629514.db2.gz MEQQFCRKCUKHEG-PMPSAXMXSA-N 2 1 317.433 0.454 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433323 761647423 /nfs/dbraw/zinc/64/74/23/761647423.db2.gz PUJBGWWMARZSME-LSDHHAIUSA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433323 761647424 /nfs/dbraw/zinc/64/74/24/761647424.db2.gz PUJBGWWMARZSME-LSDHHAIUSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100142471 761787689 /nfs/dbraw/zinc/78/76/89/761787689.db2.gz CRVZRVDYUWFTIW-SJORKVTESA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100142471 761787696 /nfs/dbraw/zinc/78/76/96/761787696.db2.gz CRVZRVDYUWFTIW-SJORKVTESA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100142471 761787702 /nfs/dbraw/zinc/78/77/02/761787702.db2.gz CRVZRVDYUWFTIW-SJORKVTESA-N 2 1 317.433 0.856 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100142471 761787710 /nfs/dbraw/zinc/78/77/10/761787710.db2.gz CRVZRVDYUWFTIW-SJORKVTESA-N 2 1 317.433 0.856 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC1CCOCC1 ZINC001129771079 763009390 /nfs/dbraw/zinc/00/93/90/763009390.db2.gz QINGAASQTMOEDO-KRWDZBQOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC1CCOCC1 ZINC001129771079 763009396 /nfs/dbraw/zinc/00/93/96/763009396.db2.gz QINGAASQTMOEDO-KRWDZBQOSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856204 763026683 /nfs/dbraw/zinc/02/66/83/763026683.db2.gz OGBJCLWUJQNZFL-ZIAGYGMSSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971658 763177572 /nfs/dbraw/zinc/17/75/72/763177572.db2.gz KUMXYGXKDDXLSI-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297088 763214925 /nfs/dbraw/zinc/21/49/25/763214925.db2.gz HRPPNVOSRJBQKC-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681696 763935197 /nfs/dbraw/zinc/93/51/97/763935197.db2.gz GPDHZGYXMHQPEO-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432399 764094762 /nfs/dbraw/zinc/09/47/62/764094762.db2.gz QCNCKYBKERSBQH-WBVHZDCISA-N 2 1 309.454 0.921 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266521 764344991 /nfs/dbraw/zinc/34/49/91/764344991.db2.gz XWKYEPVZALYRPB-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266521 764345001 /nfs/dbraw/zinc/34/50/01/764345001.db2.gz XWKYEPVZALYRPB-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269448 764346893 /nfs/dbraw/zinc/34/68/93/764346893.db2.gz KDEGYPKVPSFGOT-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269448 764346902 /nfs/dbraw/zinc/34/69/02/764346902.db2.gz KDEGYPKVPSFGOT-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098478821 764368001 /nfs/dbraw/zinc/36/80/01/764368001.db2.gz FRYORNBHGSFNST-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001098478821 764368007 /nfs/dbraw/zinc/36/80/07/764368007.db2.gz FRYORNBHGSFNST-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001098478821 764368010 /nfs/dbraw/zinc/36/80/10/764368010.db2.gz FRYORNBHGSFNST-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098478863 764376682 /nfs/dbraw/zinc/37/66/82/764376682.db2.gz HVYBERRFPXAGHS-DOTOQJQBSA-N 2 1 321.465 0.493 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098478863 764376684 /nfs/dbraw/zinc/37/66/84/764376684.db2.gz HVYBERRFPXAGHS-DOTOQJQBSA-N 2 1 321.465 0.493 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001098478863 764376688 /nfs/dbraw/zinc/37/66/88/764376688.db2.gz HVYBERRFPXAGHS-DOTOQJQBSA-N 2 1 321.465 0.493 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132369402 764410777 /nfs/dbraw/zinc/41/07/77/764410777.db2.gz WWXXCPOUBBZQRR-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132369402 764410783 /nfs/dbraw/zinc/41/07/83/764410783.db2.gz WWXXCPOUBBZQRR-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132411257 764449831 /nfs/dbraw/zinc/44/98/31/764449831.db2.gz XBEQXTAPBGQPML-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132411257 764449836 /nfs/dbraw/zinc/44/98/36/764449836.db2.gz XBEQXTAPBGQPML-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132411257 764449841 /nfs/dbraw/zinc/44/98/41/764449841.db2.gz XBEQXTAPBGQPML-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132411257 764449846 /nfs/dbraw/zinc/44/98/46/764449846.db2.gz XBEQXTAPBGQPML-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290575 764579834 /nfs/dbraw/zinc/57/98/34/764579834.db2.gz KFFXWFATVNLUOX-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643874 765101114 /nfs/dbraw/zinc/10/11/14/765101114.db2.gz UNCFHBYHLIHDOR-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133870879 765199993 /nfs/dbraw/zinc/19/99/93/765199993.db2.gz WNNHUWIYRUUDOX-BBRMVZONSA-N 2 1 300.406 0.962 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090542223 766304987 /nfs/dbraw/zinc/30/49/87/766304987.db2.gz BOLBLPHPCKLTEE-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@H](O)C1 ZINC001090618039 766382683 /nfs/dbraw/zinc/38/26/83/766382683.db2.gz ZMWCRVLHPCRFLZ-ZIAGYGMSSA-N 2 1 304.394 0.191 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090625290 766391219 /nfs/dbraw/zinc/39/12/19/766391219.db2.gz STENJQITZAIPCK-CVEARBPZSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001090706508 766494358 /nfs/dbraw/zinc/49/43/58/766494358.db2.gz JCUYEVDWJIZVBE-IRXDYDNUSA-N 2 1 319.449 0.293 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001090706508 766494361 /nfs/dbraw/zinc/49/43/61/766494361.db2.gz JCUYEVDWJIZVBE-IRXDYDNUSA-N 2 1 319.449 0.293 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@H](O)C1 ZINC001090765844 766568649 /nfs/dbraw/zinc/56/86/49/766568649.db2.gz YPSYAKCGTFTVSX-DZGCQCFKSA-N 2 1 306.410 0.778 20 30 DCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001120496579 767041432 /nfs/dbraw/zinc/04/14/32/767041432.db2.gz FCFDDJBNPMYKRD-HNNXBMFYSA-N 2 1 321.381 0.230 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146332858 767425634 /nfs/dbraw/zinc/42/56/34/767425634.db2.gz KNBBDHRSYLZDAT-UONOGXRCSA-N 2 1 306.410 0.714 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881307 768897195 /nfs/dbraw/zinc/89/71/95/768897195.db2.gz KOJQNAYEHUTKNM-CVEARBPZSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150496576 769111374 /nfs/dbraw/zinc/11/13/74/769111374.db2.gz DEWOWUDZNIZSPW-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150496576 769111376 /nfs/dbraw/zinc/11/13/76/769111376.db2.gz DEWOWUDZNIZSPW-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500995 769310648 /nfs/dbraw/zinc/31/06/48/769310648.db2.gz PAOROXHGVKJXJZ-BZUAXINKSA-N 2 1 309.454 0.993 20 30 DCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500995 769310662 /nfs/dbraw/zinc/31/06/62/769310662.db2.gz PAOROXHGVKJXJZ-BZUAXINKSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001151334966 769314925 /nfs/dbraw/zinc/31/49/25/769314925.db2.gz SQSWESUDBXTCKT-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174889599 769810246 /nfs/dbraw/zinc/81/02/46/769810246.db2.gz JYFCZJFXQZJNLC-HOTGVXAUSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174889599 769810260 /nfs/dbraw/zinc/81/02/60/769810260.db2.gz JYFCZJFXQZJNLC-HOTGVXAUSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001153424438 769812987 /nfs/dbraw/zinc/81/29/87/769812987.db2.gz LAGUZLOFIDSOOT-CQSZACIVSA-N 2 1 305.426 0.518 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cnsn2)CC1 ZINC001176926548 770227470 /nfs/dbraw/zinc/22/74/70/770227470.db2.gz PGMFFZXFKLQUBD-UHFFFAOYSA-N 2 1 321.450 0.479 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001179396574 770996673 /nfs/dbraw/zinc/99/66/73/770996673.db2.gz RMXLUZDKVMLUJZ-JYJNAYRXSA-N 2 1 307.438 0.698 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001179396574 770996676 /nfs/dbraw/zinc/99/66/76/770996676.db2.gz RMXLUZDKVMLUJZ-JYJNAYRXSA-N 2 1 307.438 0.698 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884304 771363990 /nfs/dbraw/zinc/36/39/90/771363990.db2.gz FGZCWXDSOJTWOJ-YFHUEUNASA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884304 771363995 /nfs/dbraw/zinc/36/39/95/771363995.db2.gz FGZCWXDSOJTWOJ-YFHUEUNASA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cnccn1 ZINC001160197628 772007313 /nfs/dbraw/zinc/00/73/13/772007313.db2.gz BERXZYCPGTYBTE-HOCLYGCPSA-N 2 1 315.421 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cnccn1 ZINC001160197628 772007316 /nfs/dbraw/zinc/00/73/16/772007316.db2.gz BERXZYCPGTYBTE-HOCLYGCPSA-N 2 1 315.421 0.731 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305111 772171921 /nfs/dbraw/zinc/17/19/21/772171921.db2.gz RLXFPMNCHRJORF-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305111 772171925 /nfs/dbraw/zinc/17/19/25/772171925.db2.gz RLXFPMNCHRJORF-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305111 772171928 /nfs/dbraw/zinc/17/19/28/772171928.db2.gz RLXFPMNCHRJORF-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305111 772171931 /nfs/dbraw/zinc/17/19/31/772171931.db2.gz RLXFPMNCHRJORF-HRCADAONSA-N 2 1 305.422 0.263 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)N(c1ccnc(OC)c1)C1CC[NH2+]CC1 ZINC001161385454 772214949 /nfs/dbraw/zinc/21/49/49/772214949.db2.gz ADSPLAJNLNDANS-INIZCTEOSA-N 2 1 302.378 0.526 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171203 772335730 /nfs/dbraw/zinc/33/57/30/772335730.db2.gz LNRKSDGFILTJMI-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162603880 772396508 /nfs/dbraw/zinc/39/65/08/772396508.db2.gz AUOCPGDPFASPJH-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190654615 772658669 /nfs/dbraw/zinc/65/86/69/772658669.db2.gz KKJGHPVSASNEIE-GOEBONIOSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190654615 772658672 /nfs/dbraw/zinc/65/86/72/772658672.db2.gz KKJGHPVSASNEIE-GOEBONIOSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164577069 772683428 /nfs/dbraw/zinc/68/34/28/772683428.db2.gz IVOIPMIQCRIQFP-KKUMJFAQSA-N 2 1 324.469 0.503 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190946343 772696446 /nfs/dbraw/zinc/69/64/46/772696446.db2.gz JFANVBBCCNQYEY-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001190946343 772696447 /nfs/dbraw/zinc/69/64/47/772696447.db2.gz JFANVBBCCNQYEY-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](C)OC)CC1 ZINC001165545185 772746542 /nfs/dbraw/zinc/74/65/42/772746542.db2.gz FIEBAQJILXHJCL-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](C)OC)CC1 ZINC001165545185 772746546 /nfs/dbraw/zinc/74/65/46/772746546.db2.gz FIEBAQJILXHJCL-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191430626 772767322 /nfs/dbraw/zinc/76/73/22/772767322.db2.gz GGOMHZLEZIMCAE-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192170413 772878855 /nfs/dbraw/zinc/87/88/55/772878855.db2.gz LICOIAWOKCXNDZ-LSDHHAIUSA-N 2 1 322.453 0.258 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345595 772988148 /nfs/dbraw/zinc/98/81/48/772988148.db2.gz RYNICBLRCSFSRD-HZPDHXFCSA-N 2 1 305.422 0.311 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281570 773062171 /nfs/dbraw/zinc/06/21/71/773062171.db2.gz MGPBRQBCPSUGLR-WBVHZDCISA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570320 773079234 /nfs/dbraw/zinc/07/92/34/773079234.db2.gz IKVPJTKLXVBKIB-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570321 773079309 /nfs/dbraw/zinc/07/93/09/773079309.db2.gz IKVPJTKLXVBKIB-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001206603972 773093040 /nfs/dbraw/zinc/09/30/40/773093040.db2.gz YUOXKWHGHANGPQ-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563231 773237491 /nfs/dbraw/zinc/23/74/91/773237491.db2.gz KXUGTMIKLNMXES-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563231 773237495 /nfs/dbraw/zinc/23/74/95/773237495.db2.gz KXUGTMIKLNMXES-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563231 773237500 /nfs/dbraw/zinc/23/75/00/773237500.db2.gz KXUGTMIKLNMXES-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563231 773237503 /nfs/dbraw/zinc/23/75/03/773237503.db2.gz KXUGTMIKLNMXES-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209241996 773574124 /nfs/dbraw/zinc/57/41/24/773574124.db2.gz HUCNIVBNYNPPMH-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209241996 773574131 /nfs/dbraw/zinc/57/41/31/773574131.db2.gz HUCNIVBNYNPPMH-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001197049475 773681886 /nfs/dbraw/zinc/68/18/86/773681886.db2.gz RYFLIJFFUNYGEP-OAHLLOKOSA-N 2 1 322.453 0.259 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001197049475 773681890 /nfs/dbraw/zinc/68/18/90/773681890.db2.gz RYFLIJFFUNYGEP-OAHLLOKOSA-N 2 1 322.453 0.259 20 30 DCEDMP COc1ncnc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1C#N ZINC001210264545 773691608 /nfs/dbraw/zinc/69/16/08/773691608.db2.gz SZLXOCPXXPBIIJ-UHFFFAOYSA-N 2 1 311.349 0.905 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158489 773707242 /nfs/dbraw/zinc/70/72/42/773707242.db2.gz QRPJCTQMSKPRCU-JKSUJKDBSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158489 773707246 /nfs/dbraw/zinc/70/72/46/773707246.db2.gz QRPJCTQMSKPRCU-JKSUJKDBSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158489 773707247 /nfs/dbraw/zinc/70/72/47/773707247.db2.gz QRPJCTQMSKPRCU-JKSUJKDBSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158489 773707250 /nfs/dbraw/zinc/70/72/50/773707250.db2.gz QRPJCTQMSKPRCU-JKSUJKDBSA-N 2 1 307.438 0.368 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284565 773790270 /nfs/dbraw/zinc/79/02/70/773790270.db2.gz MZOOMSXPVZIZGP-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303885452 774015203 /nfs/dbraw/zinc/01/52/03/774015203.db2.gz NENPAHKBWAMQBN-HNNXBMFYSA-N 2 1 311.474 0.345 20 30 DCEDMP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303885452 774015209 /nfs/dbraw/zinc/01/52/09/774015209.db2.gz NENPAHKBWAMQBN-HNNXBMFYSA-N 3 1 311.474 0.345 20 30 DCEDMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303885452 774015214 /nfs/dbraw/zinc/01/52/14/774015214.db2.gz NENPAHKBWAMQBN-HNNXBMFYSA-N 3 1 311.474 0.345 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001199119439 774042291 /nfs/dbraw/zinc/04/22/91/774042291.db2.gz FCTZPAPZAQMUOU-ZACQAIPSSA-N 2 1 315.417 0.474 20 30 DCEDMP C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001199119439 774042298 /nfs/dbraw/zinc/04/22/98/774042298.db2.gz FCTZPAPZAQMUOU-ZACQAIPSSA-N 2 1 315.417 0.474 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215938827 774095276 /nfs/dbraw/zinc/09/52/76/774095276.db2.gz OFHKVTDASRSBFU-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721136 774397579 /nfs/dbraw/zinc/39/75/79/774397579.db2.gz HVTGQUOIZNOTGT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCCO1 ZINC001201419924 774507541 /nfs/dbraw/zinc/50/75/41/774507541.db2.gz HZDIDRMARRAROB-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201862443 774559560 /nfs/dbraw/zinc/55/95/60/774559560.db2.gz AVUNLLVTKYDCCU-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202069062 774597173 /nfs/dbraw/zinc/59/71/73/774597173.db2.gz KZHCHAFSFFVQJP-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219903350 774641322 /nfs/dbraw/zinc/64/13/22/774641322.db2.gz YVQKNKZSEZRYBM-KGLIPLIRSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219903350 774641325 /nfs/dbraw/zinc/64/13/25/774641325.db2.gz YVQKNKZSEZRYBM-KGLIPLIRSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219903350 774641326 /nfs/dbraw/zinc/64/13/26/774641326.db2.gz YVQKNKZSEZRYBM-KGLIPLIRSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979466 774968935 /nfs/dbraw/zinc/96/89/35/774968935.db2.gz MPUGVVDMLZTJQR-CFVMTHIKSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979466 774968938 /nfs/dbraw/zinc/96/89/38/774968938.db2.gz MPUGVVDMLZTJQR-CFVMTHIKSA-N 2 1 306.410 0.708 20 30 DCEDMP COCC#CC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001223831543 775518304 /nfs/dbraw/zinc/51/83/04/775518304.db2.gz HOVZUXVMPCVEPN-UHFFFAOYSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225346260 775668871 /nfs/dbraw/zinc/66/88/71/775668871.db2.gz LAFGEYAMVJIEAN-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC#CCOC)CC2)CC[N@H+]1C ZINC001227453841 775975004 /nfs/dbraw/zinc/97/50/04/775975004.db2.gz KDTZRRMLCZXQIF-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228602341 776101394 /nfs/dbraw/zinc/10/13/94/776101394.db2.gz ICJDCRCYSAZOGN-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001229186724 776168387 /nfs/dbraw/zinc/16/83/87/776168387.db2.gz YRZLUZPKPNOUGQ-ZFWWWQNUSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001229186724 776168392 /nfs/dbraw/zinc/16/83/92/776168392.db2.gz YRZLUZPKPNOUGQ-ZFWWWQNUSA-N 2 1 322.453 0.067 20 30 DCEDMP C=C(Cl)C[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048614 776246339 /nfs/dbraw/zinc/24/63/39/776246339.db2.gz KEKABPAUXXTSFB-UHFFFAOYSA-N 2 1 303.834 0.898 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001041764317 777480118 /nfs/dbraw/zinc/48/01/18/777480118.db2.gz YEFORYIADALYIH-SFHVURJKSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270989 777822556 /nfs/dbraw/zinc/82/25/56/777822556.db2.gz VNOJXRLPBIDHHB-CVEARBPZSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270989 777822565 /nfs/dbraw/zinc/82/25/65/777822565.db2.gz VNOJXRLPBIDHHB-CVEARBPZSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001273039024 945212849 /nfs/dbraw/zinc/21/28/49/945212849.db2.gz KXBLPEAXULSDCD-UHFFFAOYSA-N 2 1 305.422 0.265 20 30 DCEDMP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(CC#N)CC2)CC[N@@H+]1C ZINC001266270772 939038353 /nfs/dbraw/zinc/03/83/53/939038353.db2.gz AKVDANOFLNVGMA-HOTGVXAUSA-N 2 1 321.469 0.364 20 30 DCEDMP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(CC#N)CC2)CC[N@H+]1C ZINC001266270772 939038355 /nfs/dbraw/zinc/03/83/55/939038355.db2.gz AKVDANOFLNVGMA-HOTGVXAUSA-N 2 1 321.469 0.364 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266326708 939075734 /nfs/dbraw/zinc/07/57/34/939075734.db2.gz IKWSZPDGITXTHR-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266326708 939075736 /nfs/dbraw/zinc/07/57/36/939075736.db2.gz IKWSZPDGITXTHR-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266326708 939075742 /nfs/dbraw/zinc/07/57/42/939075742.db2.gz IKWSZPDGITXTHR-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266326708 939075748 /nfs/dbraw/zinc/07/57/48/939075748.db2.gz IKWSZPDGITXTHR-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266532884 939154108 /nfs/dbraw/zinc/15/41/08/939154108.db2.gz AZXCZBVLMGRGIM-JKSUJKDBSA-N 2 1 309.454 0.661 20 30 DCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267001221 939302967 /nfs/dbraw/zinc/30/29/67/939302967.db2.gz LLGMBCNRHUXXDZ-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267046635 939322749 /nfs/dbraw/zinc/32/27/49/939322749.db2.gz BXEOTYNMYXTLEM-ZDUSSCGKSA-N 2 1 304.394 0.811 20 30 DCEDMP C#CC[N@H+](CCNC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001481189142 939601921 /nfs/dbraw/zinc/60/19/21/939601921.db2.gz AWCBAOHJDXNDKR-UHFFFAOYSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001267965674 939715042 /nfs/dbraw/zinc/71/50/42/939715042.db2.gz ACVVSGVIQPPUOI-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001481461799 939875515 /nfs/dbraw/zinc/87/55/15/939875515.db2.gz IXOMVWBTCWZCCQ-CVEARBPZSA-N 2 1 321.465 0.541 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001481941319 940190766 /nfs/dbraw/zinc/19/07/66/940190766.db2.gz QWBUUKBXIPMRMG-YJBOKZPZSA-N 2 1 321.465 0.853 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268811616 940369316 /nfs/dbraw/zinc/36/93/16/940369316.db2.gz PHIIDZAMTWIGAB-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001284517594 940713695 /nfs/dbraw/zinc/71/36/95/940713695.db2.gz WZRFRCUEAIPSJJ-KRWDZBQOSA-N 2 1 323.481 0.881 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001270098057 940834381 /nfs/dbraw/zinc/83/43/81/940834381.db2.gz JPTFNKJVJGBCST-CQSZACIVSA-N 2 1 319.409 0.074 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](CC#CCOC)CC1 ZINC001270260783 940867642 /nfs/dbraw/zinc/86/76/42/940867642.db2.gz HEHFWRTYTBSBNJ-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001270825482 941002617 /nfs/dbraw/zinc/00/26/17/941002617.db2.gz BUQRQOMENDDCQI-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001270825482 941002619 /nfs/dbraw/zinc/00/26/19/941002619.db2.gz BUQRQOMENDDCQI-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001271017456 941241710 /nfs/dbraw/zinc/24/17/10/941241710.db2.gz QEJLLGUQSOGBAS-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001271017456 941241713 /nfs/dbraw/zinc/24/17/13/941241713.db2.gz QEJLLGUQSOGBAS-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001271017456 941241716 /nfs/dbraw/zinc/24/17/16/941241716.db2.gz QEJLLGUQSOGBAS-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001271017456 941241718 /nfs/dbraw/zinc/24/17/18/941241718.db2.gz QEJLLGUQSOGBAS-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001271282118 941341476 /nfs/dbraw/zinc/34/14/76/941341476.db2.gz RUDDISVMNXLQRU-HNNXBMFYSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271282118 941341480 /nfs/dbraw/zinc/34/14/80/941341480.db2.gz RUDDISVMNXLQRU-HNNXBMFYSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001272151735 941755256 /nfs/dbraw/zinc/75/52/56/941755256.db2.gz AJORCYZOSHWNNZ-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001272151735 941755257 /nfs/dbraw/zinc/75/52/57/941755257.db2.gz AJORCYZOSHWNNZ-CQSZACIVSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001272520337 942800351 /nfs/dbraw/zinc/80/03/51/942800351.db2.gz HGSODYBRZQIBCK-CZUORRHYSA-N 2 1 313.417 0.289 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](CC)OC)CC1 ZINC001483743156 942845076 /nfs/dbraw/zinc/84/50/76/942845076.db2.gz QBUKMXPVZULOMP-CABCVRRESA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](CC)OC)CC1 ZINC001483743156 942845081 /nfs/dbraw/zinc/84/50/81/942845081.db2.gz QBUKMXPVZULOMP-CABCVRRESA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2C[C@H]1C[C@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001047209447 942912942 /nfs/dbraw/zinc/91/29/42/942912942.db2.gz WCLUEANVWOFYRO-JQHSSLGASA-N 2 1 313.445 0.934 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484278719 943290189 /nfs/dbraw/zinc/29/01/89/943290189.db2.gz QLORDGWAZOCNGM-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484278719 943290194 /nfs/dbraw/zinc/29/01/94/943290194.db2.gz QLORDGWAZOCNGM-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484311694 943314518 /nfs/dbraw/zinc/31/45/18/943314518.db2.gz HYDLOOXKCDTMGQ-UHFFFAOYSA-N 2 1 309.454 0.992 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001484350230 943330552 /nfs/dbraw/zinc/33/05/52/943330552.db2.gz GHNGALURUAXYJA-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001485766985 944125503 /nfs/dbraw/zinc/12/55/03/944125503.db2.gz SOEOCRPISSYSEB-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001485766985 944125505 /nfs/dbraw/zinc/12/55/05/944125505.db2.gz SOEOCRPISSYSEB-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001485766985 944125508 /nfs/dbraw/zinc/12/55/08/944125508.db2.gz SOEOCRPISSYSEB-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001485792654 944138359 /nfs/dbraw/zinc/13/83/59/944138359.db2.gz NWHQLXMEMKHSIV-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001485792654 944138364 /nfs/dbraw/zinc/13/83/64/944138364.db2.gz NWHQLXMEMKHSIV-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276609701 944232021 /nfs/dbraw/zinc/23/20/21/944232021.db2.gz XXIRVFMPSYQANF-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276609701 944232028 /nfs/dbraw/zinc/23/20/28/944232028.db2.gz XXIRVFMPSYQANF-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCN1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870967 944291559 /nfs/dbraw/zinc/29/15/59/944291559.db2.gz SXOVTTPBPDPMTG-QGZVFWFLSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCN1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870967 944291569 /nfs/dbraw/zinc/29/15/69/944291569.db2.gz SXOVTTPBPDPMTG-QGZVFWFLSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001272887243 944302010 /nfs/dbraw/zinc/30/20/10/944302010.db2.gz APZIYYVJFSIAKQ-GOSISDBHSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485997790 944471846 /nfs/dbraw/zinc/47/18/46/944471846.db2.gz RQYKHODUADNXSK-CVEARBPZSA-N 2 1 321.465 0.731 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001486095989 944553194 /nfs/dbraw/zinc/55/31/94/944553194.db2.gz MABNTXNETIACEZ-OCCSQVGLSA-N 2 1 319.409 0.073 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317088552 944786699 /nfs/dbraw/zinc/78/66/99/944786699.db2.gz XAWNVANJSXAGKA-WKILWMFISA-N 2 1 318.421 0.858 20 30 DCEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001486358460 944818955 /nfs/dbraw/zinc/81/89/55/944818955.db2.gz CHCOOLWSVYQFRV-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001486358460 944818958 /nfs/dbraw/zinc/81/89/58/944818958.db2.gz CHCOOLWSVYQFRV-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001486358460 944818964 /nfs/dbraw/zinc/81/89/64/944818964.db2.gz CHCOOLWSVYQFRV-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001486358460 944818971 /nfs/dbraw/zinc/81/89/71/944818971.db2.gz CHCOOLWSVYQFRV-HUUCEWRRSA-N 2 1 313.442 0.034 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC#CCOC)C1 ZINC001317162729 944832599 /nfs/dbraw/zinc/83/25/99/944832599.db2.gz QNQAVDPRNZZNQB-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001317512944 945008942 /nfs/dbraw/zinc/00/89/42/945008942.db2.gz FMVKIAOPHZCHTB-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001317512944 945008950 /nfs/dbraw/zinc/00/89/50/945008950.db2.gz FMVKIAOPHZCHTB-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001317512944 945008959 /nfs/dbraw/zinc/00/89/59/945008959.db2.gz FMVKIAOPHZCHTB-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001317512944 945008966 /nfs/dbraw/zinc/00/89/66/945008966.db2.gz FMVKIAOPHZCHTB-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318483329 945381447 /nfs/dbraw/zinc/38/14/47/945381447.db2.gz PRLNEYHKSZHYSP-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCN[C@H](C#N)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246601755 945442089 /nfs/dbraw/zinc/44/20/89/945442089.db2.gz GPTUUBUXOCDZRL-MPTYRVRUSA-N 2 1 320.437 0.495 20 30 DCEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001319549822 945617512 /nfs/dbraw/zinc/61/75/12/945617512.db2.gz QRDNXUVXEBCDKH-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCOC[C@H](O)C[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001251891745 945810774 /nfs/dbraw/zinc/81/07/74/945810774.db2.gz YNPYXTSHBCTMIO-MRXNPFEDSA-N 2 1 303.406 0.959 20 30 DCEDMP C#CCOCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001320489559 945899128 /nfs/dbraw/zinc/89/91/28/945899128.db2.gz HJGFKZGTOWETAS-QGZVFWFLSA-N 2 1 317.433 0.987 20 30 DCEDMP C#CCOCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001320489559 945899134 /nfs/dbraw/zinc/89/91/34/945899134.db2.gz HJGFKZGTOWETAS-QGZVFWFLSA-N 2 1 317.433 0.987 20 30 DCEDMP C=CCC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252602511 945970862 /nfs/dbraw/zinc/97/08/62/945970862.db2.gz BTLGYANCAIKNED-MRXNPFEDSA-N 2 1 309.454 0.975 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCOCC1 ZINC001278734001 946149096 /nfs/dbraw/zinc/14/90/96/946149096.db2.gz PRAHJLCOYZFIOS-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001278809830 946429439 /nfs/dbraw/zinc/42/94/39/946429439.db2.gz HOXJETIKHXSZKN-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238360 946624148 /nfs/dbraw/zinc/62/41/48/946624148.db2.gz UFGXIYHILYEJOA-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238360 946624154 /nfs/dbraw/zinc/62/41/54/946624154.db2.gz UFGXIYHILYEJOA-ZIAGYGMSSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)C[N@H+](C)CCC)C2)CC1 ZINC001324353940 947397632 /nfs/dbraw/zinc/39/76/32/947397632.db2.gz YPUCMARVZZUPEI-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001325836184 947944647 /nfs/dbraw/zinc/94/46/47/947944647.db2.gz RSEJRXCOOZBTCP-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001325836184 947944657 /nfs/dbraw/zinc/94/46/57/947944657.db2.gz RSEJRXCOOZBTCP-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001325836184 947944664 /nfs/dbraw/zinc/94/46/64/947944664.db2.gz RSEJRXCOOZBTCP-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001325836184 947944671 /nfs/dbraw/zinc/94/46/71/947944671.db2.gz RSEJRXCOOZBTCP-NVXWUHKLSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@@H]1CCOC1 ZINC001264997129 949157780 /nfs/dbraw/zinc/15/77/80/949157780.db2.gz XQZFOUXKLXMSEF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@@H]1CCOC1 ZINC001264997129 949157789 /nfs/dbraw/zinc/15/77/89/949157789.db2.gz XQZFOUXKLXMSEF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@@H]1CCOC1 ZINC001264997129 949157798 /nfs/dbraw/zinc/15/77/98/949157798.db2.gz XQZFOUXKLXMSEF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC[C@@H]1CCOC1 ZINC001264997129 949157805 /nfs/dbraw/zinc/15/78/05/949157805.db2.gz XQZFOUXKLXMSEF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC[C@@H]1CCOC1 ZINC001264997129 949157809 /nfs/dbraw/zinc/15/78/09/949157809.db2.gz XQZFOUXKLXMSEF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001329256452 949468813 /nfs/dbraw/zinc/46/88/13/949468813.db2.gz FPBKHMYANJAUDE-KLAILNCOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265446415 949694582 /nfs/dbraw/zinc/69/45/82/949694582.db2.gz FXCWKOVUUARZKB-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265597518 949799613 /nfs/dbraw/zinc/79/96/13/949799613.db2.gz ZWOLTBIIFLOHFD-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001265597518 949799622 /nfs/dbraw/zinc/79/96/22/949799622.db2.gz ZWOLTBIIFLOHFD-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265597518 949799636 /nfs/dbraw/zinc/79/96/36/949799636.db2.gz ZWOLTBIIFLOHFD-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490355617 950650441 /nfs/dbraw/zinc/65/04/41/950650441.db2.gz ONEAWEQEPZUGMV-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001490549146 950809671 /nfs/dbraw/zinc/80/96/71/950809671.db2.gz ZHAZHIJLVXURRJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001490549146 950809685 /nfs/dbraw/zinc/80/96/85/950809685.db2.gz ZHAZHIJLVXURRJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001490549146 950809712 /nfs/dbraw/zinc/80/97/12/950809712.db2.gz ZHAZHIJLVXURRJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001490549146 950809722 /nfs/dbraw/zinc/80/97/22/950809722.db2.gz ZHAZHIJLVXURRJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001490516598 950842350 /nfs/dbraw/zinc/84/23/50/950842350.db2.gz RJAZNENHICEXMY-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001490516598 950842372 /nfs/dbraw/zinc/84/23/72/950842372.db2.gz RJAZNENHICEXMY-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001280600338 950977616 /nfs/dbraw/zinc/97/76/16/950977616.db2.gz GQFUFDUIIKWHTI-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CCN1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001316604931 951023645 /nfs/dbraw/zinc/02/36/45/951023645.db2.gz MWDJOUYEOQQSGS-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001331629468 951206337 /nfs/dbraw/zinc/20/63/37/951206337.db2.gz CGOGZPNHYPWSFQ-STQMWFEESA-N 2 1 321.425 0.319 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001281144393 951324272 /nfs/dbraw/zinc/32/42/72/951324272.db2.gz CLZBEBZOQFLJSC-XYJFISCASA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001332341502 951596477 /nfs/dbraw/zinc/59/64/77/951596477.db2.gz PYEQCXFMYODUJU-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001281675559 951596684 /nfs/dbraw/zinc/59/66/84/951596684.db2.gz MLBARDASHVOFCW-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP O=C(NCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1N=CC=CC1=O ZINC001332403741 951631395 /nfs/dbraw/zinc/63/13/95/951631395.db2.gz ZTKYGXHIFKIWER-FEEMPYAZSA-N 2 1 302.378 0.099 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001274720622 951804603 /nfs/dbraw/zinc/80/46/03/951804603.db2.gz ZSWNFUMCLMNUON-HOTGVXAUSA-N 2 1 309.454 0.993 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001274825192 951847120 /nfs/dbraw/zinc/84/71/20/951847120.db2.gz NIJWOTDRCQQUOO-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001274887919 951868361 /nfs/dbraw/zinc/86/83/61/951868361.db2.gz FARNXHXUONKHSO-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP C=C(C)Cn1nnnc1N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001333673407 952128935 /nfs/dbraw/zinc/12/89/35/952128935.db2.gz HHZMKACNMCIHRS-UHFFFAOYSA-N 2 1 307.446 0.711 20 30 DCEDMP C=C(C)Cn1nnnc1N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001333673407 952128939 /nfs/dbraw/zinc/12/89/39/952128939.db2.gz HHZMKACNMCIHRS-UHFFFAOYSA-N 2 1 307.446 0.711 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001280756700 952501624 /nfs/dbraw/zinc/50/16/24/952501624.db2.gz LXUNAFUFBKZKJJ-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001340221400 953154958 /nfs/dbraw/zinc/15/49/58/953154958.db2.gz DDZIWCVPACEDPB-GOEBONIOSA-N 2 1 308.470 0.955 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001340221400 953154959 /nfs/dbraw/zinc/15/49/59/953154959.db2.gz DDZIWCVPACEDPB-GOEBONIOSA-N 2 1 308.470 0.955 20 30 DCEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001283797685 954615968 /nfs/dbraw/zinc/61/59/68/954615968.db2.gz RFYXCHIADJWVAX-KGLIPLIRSA-N 2 1 306.410 0.397 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001283998797 954762901 /nfs/dbraw/zinc/76/29/01/954762901.db2.gz JCRRFQISWYQSQT-DZGCQCFKSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H]1C ZINC001284130919 954870267 /nfs/dbraw/zinc/87/02/67/954870267.db2.gz XZDVHYVUDSORFK-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H]1C ZINC001284130919 954870276 /nfs/dbraw/zinc/87/02/76/954870276.db2.gz XZDVHYVUDSORFK-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC001357385691 957263640 /nfs/dbraw/zinc/26/36/40/957263640.db2.gz YQFFVEOYFGDCNM-UHFFFAOYSA-N 2 1 302.378 0.738 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001491956285 959447397 /nfs/dbraw/zinc/44/73/97/959447397.db2.gz KUEBDUSFWRARFM-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001491956285 959447403 /nfs/dbraw/zinc/44/74/03/959447403.db2.gz KUEBDUSFWRARFM-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001491956285 959447408 /nfs/dbraw/zinc/44/74/08/959447408.db2.gz KUEBDUSFWRARFM-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001491956285 959447412 /nfs/dbraw/zinc/44/74/12/959447412.db2.gz KUEBDUSFWRARFM-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncn1C ZINC001492037584 959576338 /nfs/dbraw/zinc/57/63/38/959576338.db2.gz UYWDKYZUTDCSGW-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncn1C ZINC001492037584 959576343 /nfs/dbraw/zinc/57/63/43/959576343.db2.gz UYWDKYZUTDCSGW-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001377161668 959600863 /nfs/dbraw/zinc/60/08/63/959600863.db2.gz ZEYJFCODMDMKEB-UKRRQHHQSA-N 2 1 315.845 0.776 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001368576004 960051397 /nfs/dbraw/zinc/05/13/97/960051397.db2.gz IPCAVXLFNIDHQL-HZSPNIEDSA-N 2 1 315.845 0.896 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001316750455 960309575 /nfs/dbraw/zinc/30/95/75/960309575.db2.gz RXEYDNQTJHTCGO-HZPDHXFCSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001316750455 960309587 /nfs/dbraw/zinc/30/95/87/960309587.db2.gz RXEYDNQTJHTCGO-HZPDHXFCSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001316750455 960309595 /nfs/dbraw/zinc/30/95/95/960309595.db2.gz RXEYDNQTJHTCGO-HZPDHXFCSA-N 2 1 307.438 0.389 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001316791353 960377969 /nfs/dbraw/zinc/37/79/69/960377969.db2.gz KANJDGAJLIORSG-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001316791353 960377974 /nfs/dbraw/zinc/37/79/74/960377974.db2.gz KANJDGAJLIORSG-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379365028 962739860 /nfs/dbraw/zinc/73/98/60/962739860.db2.gz CQVWQXMLBAWPPN-JKSUJKDBSA-N 2 1 316.405 0.219 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379365028 962739868 /nfs/dbraw/zinc/73/98/68/962739868.db2.gz CQVWQXMLBAWPPN-JKSUJKDBSA-N 2 1 316.405 0.219 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001369469056 965031582 /nfs/dbraw/zinc/03/15/82/965031582.db2.gz DCHILIMCPYDERY-ZDUSSCGKSA-N 2 1 303.834 0.632 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001376260188 965449312 /nfs/dbraw/zinc/44/93/12/965449312.db2.gz PIWSQIYLHMODFZ-AWEZNQCLSA-N 2 1 315.845 0.946 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001394651256 993968305 /nfs/dbraw/zinc/96/83/05/993968305.db2.gz ZWLIZLPDULGDRX-STQMWFEESA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001394651256 993968313 /nfs/dbraw/zinc/96/83/13/993968313.db2.gz ZWLIZLPDULGDRX-STQMWFEESA-N 2 1 303.834 0.680 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC ZINC001508050100 1016630238 /nfs/dbraw/zinc/63/02/38/1016630238.db2.gz IGWNYHVWTQRFSP-MRXNPFEDSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC ZINC001508050100 1016630244 /nfs/dbraw/zinc/63/02/44/1016630244.db2.gz IGWNYHVWTQRFSP-MRXNPFEDSA-N 2 1 307.438 0.416 20 30 DCEDMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406340187 1003621764 /nfs/dbraw/zinc/62/17/64/1003621764.db2.gz WHEJGQHUSUDVHB-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406340187 1003621769 /nfs/dbraw/zinc/62/17/69/1003621769.db2.gz WHEJGQHUSUDVHB-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001437295947 1006812476 /nfs/dbraw/zinc/81/24/76/1006812476.db2.gz MSSOHQKLSFDFGY-QWHCGFSZSA-N 2 1 301.818 0.508 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001437295947 1006812484 /nfs/dbraw/zinc/81/24/84/1006812484.db2.gz MSSOHQKLSFDFGY-QWHCGFSZSA-N 2 1 301.818 0.508 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001478142665 1017325598 /nfs/dbraw/zinc/32/55/98/1017325598.db2.gz MTLZKDNQJCXDRP-HZPDHXFCSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001479301864 1017485805 /nfs/dbraw/zinc/48/58/05/1017485805.db2.gz WRJSROSGKYEXID-JONQDZQNSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001479301864 1017485814 /nfs/dbraw/zinc/48/58/14/1017485814.db2.gz WRJSROSGKYEXID-JONQDZQNSA-N 2 1 307.438 0.603 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001506747928 1017503466 /nfs/dbraw/zinc/50/34/66/1017503466.db2.gz VFFMTPMMNBCVMV-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001506747928 1017503481 /nfs/dbraw/zinc/50/34/81/1017503481.db2.gz VFFMTPMMNBCVMV-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001506747928 1017503491 /nfs/dbraw/zinc/50/34/91/1017503491.db2.gz VFFMTPMMNBCVMV-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001506747928 1017503504 /nfs/dbraw/zinc/50/35/04/1017503504.db2.gz VFFMTPMMNBCVMV-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001494864083 1018115173 /nfs/dbraw/zinc/11/51/73/1018115173.db2.gz PRUIENGHRKHLJM-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001494864083 1018115160 /nfs/dbraw/zinc/11/51/60/1018115160.db2.gz PRUIENGHRKHLJM-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001494864083 1018115176 /nfs/dbraw/zinc/11/51/76/1018115176.db2.gz PRUIENGHRKHLJM-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001494864083 1018115184 /nfs/dbraw/zinc/11/51/84/1018115184.db2.gz PRUIENGHRKHLJM-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001480329742 1018432646 /nfs/dbraw/zinc/43/26/46/1018432646.db2.gz FJVUTRBPRPVJPZ-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001480400567 1018501070 /nfs/dbraw/zinc/50/10/70/1018501070.db2.gz PMHQECSFLMKPIO-GPANFISMSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCOCC1 ZINC001500581734 1018501392 /nfs/dbraw/zinc/50/13/92/1018501392.db2.gz FXEGOHSTEAQCJQ-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cncs1 ZINC001480480234 1018576703 /nfs/dbraw/zinc/57/67/03/1018576703.db2.gz PWRVAHWEQBYRQO-JSGCOSHPSA-N 2 1 306.435 0.835 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cncs1 ZINC001480480234 1018576711 /nfs/dbraw/zinc/57/67/11/1018576711.db2.gz PWRVAHWEQBYRQO-JSGCOSHPSA-N 2 1 306.435 0.835 20 30 DCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001500736626 1018618638 /nfs/dbraw/zinc/61/86/38/1018618638.db2.gz VWZYULLTRAHNSI-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001500736626 1018618643 /nfs/dbraw/zinc/61/86/43/1018618643.db2.gz VWZYULLTRAHNSI-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001500736626 1018618650 /nfs/dbraw/zinc/61/86/50/1018618650.db2.gz VWZYULLTRAHNSI-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001480709917 1018792807 /nfs/dbraw/zinc/79/28/07/1018792807.db2.gz TZCAVTVTADHORM-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)O)CCCC1 ZINC001495918852 1018869620 /nfs/dbraw/zinc/86/96/20/1018869620.db2.gz MCYCKDIPMYWZNJ-CABCVRRESA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)O)CCCC1 ZINC001495918852 1018869644 /nfs/dbraw/zinc/86/96/44/1018869644.db2.gz MCYCKDIPMYWZNJ-CABCVRRESA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cncn1C ZINC001496080694 1019044528 /nfs/dbraw/zinc/04/45/28/1019044528.db2.gz QPVFPRGDTJDJRD-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cncn1C ZINC001496080694 1019044544 /nfs/dbraw/zinc/04/45/44/1019044544.db2.gz QPVFPRGDTJDJRD-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001501359615 1019097453 /nfs/dbraw/zinc/09/74/53/1019097453.db2.gz GFKJYORTIJQEEL-QGZVFWFLSA-N 2 1 307.438 0.601 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC#CCOC)C1 ZINC001494169343 1020042890 /nfs/dbraw/zinc/04/28/90/1020042890.db2.gz IVJHCTGJCNLRLO-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC#CCOC)C1 ZINC001494169343 1020042905 /nfs/dbraw/zinc/04/29/05/1020042905.db2.gz IVJHCTGJCNLRLO-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC#CCOC)C1 ZINC001494169343 1020042917 /nfs/dbraw/zinc/04/29/17/1020042917.db2.gz IVJHCTGJCNLRLO-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001494324276 1020130501 /nfs/dbraw/zinc/13/05/01/1020130501.db2.gz IPONMDGVYTUNFA-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001494324276 1020130504 /nfs/dbraw/zinc/13/05/04/1020130504.db2.gz IPONMDGVYTUNFA-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP CN(C(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000181463399 237264720 /nfs/dbraw/zinc/26/47/20/237264720.db2.gz LIOKRVUIWNKGNX-MRXNPFEDSA-N 2 1 302.422 0.815 20 30 DCEDMP [NH2+]=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000264111730 238190757 /nfs/dbraw/zinc/19/07/57/238190757.db2.gz RAAHEBLDNLXBKB-INIZCTEOSA-N 2 1 318.421 0.053 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491375663 533101704 /nfs/dbraw/zinc/10/17/04/533101704.db2.gz XFKCJLADBNYATE-IYBDPMFKSA-N 2 1 324.469 0.692 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491375663 533101706 /nfs/dbraw/zinc/10/17/06/533101706.db2.gz XFKCJLADBNYATE-IYBDPMFKSA-N 2 1 324.469 0.692 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491375663 533101711 /nfs/dbraw/zinc/10/17/11/533101711.db2.gz XFKCJLADBNYATE-IYBDPMFKSA-N 2 1 324.469 0.692 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491375663 533101715 /nfs/dbraw/zinc/10/17/15/533101715.db2.gz XFKCJLADBNYATE-IYBDPMFKSA-N 2 1 324.469 0.692 20 30 DCEDMP N#CC[C@]1(O)CC[NH+](CCCCC[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592150793 397108021 /nfs/dbraw/zinc/10/80/21/397108021.db2.gz GPLXUEXPUVMDKW-IRXDYDNUSA-N 2 1 320.437 0.858 20 30 DCEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])NCCOC)[C@@H]1c1ccccc1 ZINC000284926563 415603999 /nfs/dbraw/zinc/60/39/99/415603999.db2.gz CGNMYCPMKXCPNJ-HOTGVXAUSA-N 2 1 320.437 0.999 20 30 DCEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])NCCOC)[C@@H]1c1ccccc1 ZINC000284926563 415604003 /nfs/dbraw/zinc/60/40/03/415604003.db2.gz CGNMYCPMKXCPNJ-HOTGVXAUSA-N 2 1 320.437 0.999 20 30 DCEDMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000174713718 416084573 /nfs/dbraw/zinc/08/45/73/416084573.db2.gz YLMDZBCHZJEGMN-KRWDZBQOSA-N 2 1 321.469 0.364 20 30 DCEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000174713718 416084576 /nfs/dbraw/zinc/08/45/76/416084576.db2.gz YLMDZBCHZJEGMN-KRWDZBQOSA-N 2 1 321.469 0.364 20 30 DCEDMP C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000348576763 416240818 /nfs/dbraw/zinc/24/08/18/416240818.db2.gz PBLFZNUOCJHHTO-HNNXBMFYSA-N 2 1 309.458 0.316 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000420314261 416418351 /nfs/dbraw/zinc/41/83/51/416418351.db2.gz QLALPHZFGPPWAN-KGLIPLIRSA-N 2 1 308.426 0.093 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000420314261 416418353 /nfs/dbraw/zinc/41/83/53/416418353.db2.gz QLALPHZFGPPWAN-KGLIPLIRSA-N 2 1 308.426 0.093 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NC1CCN(C(=O)OCC)CC1 ZINC000491414287 416599782 /nfs/dbraw/zinc/59/97/82/416599782.db2.gz BVMYRILNGDFAFS-UHFFFAOYSA-N 2 1 323.441 0.676 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000491503904 416604218 /nfs/dbraw/zinc/60/42/18/416604218.db2.gz FNTPZRXWLZRDCH-INIZCTEOSA-N 2 1 324.469 0.694 20 30 DCEDMP CN(CCC[N@@H+](C)CC(=O)NC1(C#N)CCC1)CC[NH+](C)C ZINC000344030981 289132101 /nfs/dbraw/zinc/13/21/01/289132101.db2.gz ONWVAIJGZNYMSO-UHFFFAOYSA-N 2 1 309.458 0.364 20 30 DCEDMP C[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330215202 336125306 /nfs/dbraw/zinc/12/53/06/336125306.db2.gz GWEUUQXYKYYHGB-CVEARBPZSA-N 2 1 324.469 0.916 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000392814528 337282310 /nfs/dbraw/zinc/28/23/10/337282310.db2.gz OJIGXJTULZAJCX-INIZCTEOSA-N 2 1 301.390 0.843 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000392814528 337282311 /nfs/dbraw/zinc/28/23/11/337282311.db2.gz OJIGXJTULZAJCX-INIZCTEOSA-N 2 1 301.390 0.843 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCC)C1 ZINC001570141977 1161436893 /nfs/dbraw/zinc/43/68/93/1161436893.db2.gz BZIZPQRJIGFCQY-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCC)C1 ZINC001570141977 1161436898 /nfs/dbraw/zinc/43/68/98/1161436898.db2.gz BZIZPQRJIGFCQY-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261730103 526371894 /nfs/dbraw/zinc/37/18/94/526371894.db2.gz LKNDXXFSROPRTQ-HOTGVXAUSA-N 2 1 323.485 0.168 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261730103 526371900 /nfs/dbraw/zinc/37/19/00/526371900.db2.gz LKNDXXFSROPRTQ-HOTGVXAUSA-N 3 1 323.485 0.168 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261730103 526371907 /nfs/dbraw/zinc/37/19/07/526371907.db2.gz LKNDXXFSROPRTQ-HOTGVXAUSA-N 3 1 323.485 0.168 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCOC1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262823661 526371947 /nfs/dbraw/zinc/37/19/47/526371947.db2.gz XQDUIABGOGGRTL-GXTWGEPZSA-N 2 1 300.472 0.625 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(C(N)=O)c1 ZINC000264311779 529074253 /nfs/dbraw/zinc/07/42/53/529074253.db2.gz VCAOCLMXZQJIEL-OAHLLOKOSA-N 2 1 317.437 0.717 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000328775539 546039732 /nfs/dbraw/zinc/03/97/32/546039732.db2.gz KPZNPSMFCIMIBP-OAHLLOKOSA-N 2 1 312.458 0.941 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCOCC2)CCC1 ZINC001673222341 1175178895 /nfs/dbraw/zinc/17/88/95/1175178895.db2.gz YYWPFWSQGYOHKU-UHFFFAOYSA-N 2 1 307.438 0.751 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027888119 660887421 /nfs/dbraw/zinc/88/74/21/660887421.db2.gz GLBSMWKJENVUKR-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027888119 660887423 /nfs/dbraw/zinc/88/74/23/660887423.db2.gz GLBSMWKJENVUKR-AWEZNQCLSA-N 2 1 303.410 0.272 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889561 660889051 /nfs/dbraw/zinc/88/90/51/660889051.db2.gz CGWBHYQKISDXHN-HNNXBMFYSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC000980454773 660945808 /nfs/dbraw/zinc/94/58/08/660945808.db2.gz YVXSJLCINMIURG-HOTGVXAUSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](C)O)C2)CC1 ZINC000980479406 660947371 /nfs/dbraw/zinc/94/73/71/660947371.db2.gz VTGXJFCAXBFETH-GDBMZVCRSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000981185697 661096229 /nfs/dbraw/zinc/09/62/29/661096229.db2.gz BIITVFJZRFATNI-UHFFFAOYSA-N 2 1 317.437 0.616 20 30 DCEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000981688871 661195665 /nfs/dbraw/zinc/19/56/65/661195665.db2.gz GMERFQIWEIJJKF-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981688871 661195667 /nfs/dbraw/zinc/19/56/67/661195667.db2.gz GMERFQIWEIJJKF-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981688871 661195668 /nfs/dbraw/zinc/19/56/68/661195668.db2.gz GMERFQIWEIJJKF-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981688871 661195670 /nfs/dbraw/zinc/19/56/70/661195670.db2.gz GMERFQIWEIJJKF-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981688871 661195672 /nfs/dbraw/zinc/19/56/72/661195672.db2.gz GMERFQIWEIJJKF-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982070126 661287634 /nfs/dbraw/zinc/28/76/34/661287634.db2.gz MCRUZQYAIRZSIR-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982070126 661287635 /nfs/dbraw/zinc/28/76/35/661287635.db2.gz MCRUZQYAIRZSIR-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCO)CC1 ZINC000969156554 657513729 /nfs/dbraw/zinc/51/37/29/657513729.db2.gz WPMREFVRTTYMOH-KRWDZBQOSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676647 657551794 /nfs/dbraw/zinc/55/17/94/657551794.db2.gz GDDUZPQMLXLFSY-HUUCEWRRSA-N 2 1 305.426 0.532 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676647 657551798 /nfs/dbraw/zinc/55/17/98/657551798.db2.gz GDDUZPQMLXLFSY-HUUCEWRRSA-N 2 1 305.426 0.532 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972431610 658759955 /nfs/dbraw/zinc/75/99/55/658759955.db2.gz SLZNMEDXJGOHID-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000999300277 665625471 /nfs/dbraw/zinc/62/54/71/665625471.db2.gz HDXKDYFHZBPLPX-HLIUYOAVSA-N 2 1 300.406 0.966 20 30 DCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000999402695 665641062 /nfs/dbraw/zinc/64/10/62/665641062.db2.gz VPTKDXDVUTVYJV-WLYUNCDWSA-N 2 1 300.406 0.966 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007493983 659135161 /nfs/dbraw/zinc/13/51/61/659135161.db2.gz WOPFFGKPFCVMNG-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007493983 659135163 /nfs/dbraw/zinc/13/51/63/659135163.db2.gz WOPFFGKPFCVMNG-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007493983 659135165 /nfs/dbraw/zinc/13/51/65/659135165.db2.gz WOPFFGKPFCVMNG-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007493983 659135167 /nfs/dbraw/zinc/13/51/67/659135167.db2.gz WOPFFGKPFCVMNG-DOTOQJQBSA-N 2 1 319.449 0.844 20 30 DCEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486373 659459426 /nfs/dbraw/zinc/45/94/26/659459426.db2.gz DDGBPNDGOIAOAE-GDBMZVCRSA-N 2 1 324.469 0.818 20 30 DCEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486509 659462029 /nfs/dbraw/zinc/46/20/29/659462029.db2.gz DDHDTZONMYUVKE-HNNXBMFYSA-N 2 1 310.442 0.429 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC000949188893 661370770 /nfs/dbraw/zinc/37/07/70/661370770.db2.gz DPGSSIAHKXPAKC-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001029001783 661929552 /nfs/dbraw/zinc/92/95/52/661929552.db2.gz CBTBHAZPBAKCBR-MRXNPFEDSA-N 2 1 301.434 0.793 20 30 DCEDMP C[NH+]=C(NCCN1CCSCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262799616 662582987 /nfs/dbraw/zinc/58/29/87/662582987.db2.gz QQZHKLNXFPZLFX-HNNXBMFYSA-N 3 1 323.510 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001030019230 662845562 /nfs/dbraw/zinc/84/55/62/662845562.db2.gz ZUXAHZOFFKIEDL-IKGGRYGDSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001030019230 662845563 /nfs/dbraw/zinc/84/55/63/662845563.db2.gz ZUXAHZOFFKIEDL-IKGGRYGDSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000992854605 664779794 /nfs/dbraw/zinc/77/97/94/664779794.db2.gz IKVLBBZXKIISIC-GVDBMIGSSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941437099 665998194 /nfs/dbraw/zinc/99/81/94/665998194.db2.gz RTPUFQLLDFOWMU-MRXNPFEDSA-N 2 1 306.454 0.341 20 30 DCEDMP C=CCN1CC[C@@H](N2CC[C@H](NC(=O)[C@H]3CCCN3C)C2)C1=O ZINC001032828535 666231514 /nfs/dbraw/zinc/23/15/14/666231514.db2.gz GTMWDRFEAVVAOK-RRFJBIMHSA-N 2 1 320.437 0.058 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001032837235 666289088 /nfs/dbraw/zinc/28/90/88/666289088.db2.gz YAUDBPUDVOSCEK-ZACQAIPSSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033142091 666559511 /nfs/dbraw/zinc/55/95/11/666559511.db2.gz PYKGXVNQXQSILU-SJORKVTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033142091 666559514 /nfs/dbraw/zinc/55/95/14/666559514.db2.gz PYKGXVNQXQSILU-SJORKVTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033142091 666559516 /nfs/dbraw/zinc/55/95/16/666559516.db2.gz PYKGXVNQXQSILU-SJORKVTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033142091 666559517 /nfs/dbraw/zinc/55/95/17/666559517.db2.gz PYKGXVNQXQSILU-SJORKVTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033142091 666559519 /nfs/dbraw/zinc/55/95/19/666559519.db2.gz PYKGXVNQXQSILU-SJORKVTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#C)C[C@@H]2C)CC1 ZINC000945184202 666580469 /nfs/dbraw/zinc/58/04/69/666580469.db2.gz VNFOIZLXVAXIOP-DOTOQJQBSA-N 2 1 301.434 0.791 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278511 666659196 /nfs/dbraw/zinc/65/91/96/666659196.db2.gz POMVKSJNHABXKA-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278511 666659197 /nfs/dbraw/zinc/65/91/97/666659197.db2.gz POMVKSJNHABXKA-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278511 666659199 /nfs/dbraw/zinc/65/91/99/666659199.db2.gz POMVKSJNHABXKA-GARNVTTQSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033874994 666849060 /nfs/dbraw/zinc/84/90/60/666849060.db2.gz NNZBVMSULDTHNB-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033874994 666849062 /nfs/dbraw/zinc/84/90/62/666849062.db2.gz NNZBVMSULDTHNB-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033874994 666849066 /nfs/dbraw/zinc/84/90/66/666849066.db2.gz NNZBVMSULDTHNB-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033874994 666849067 /nfs/dbraw/zinc/84/90/67/666849067.db2.gz NNZBVMSULDTHNB-BZUAXINKSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048900 666908000 /nfs/dbraw/zinc/90/80/00/666908000.db2.gz YIKMKDYVSOIIEZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048900 666908002 /nfs/dbraw/zinc/90/80/02/666908002.db2.gz YIKMKDYVSOIIEZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034048900 666908004 /nfs/dbraw/zinc/90/80/04/666908004.db2.gz YIKMKDYVSOIIEZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048900 666908006 /nfs/dbraw/zinc/90/80/06/666908006.db2.gz YIKMKDYVSOIIEZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035371443 667308911 /nfs/dbraw/zinc/30/89/11/667308911.db2.gz SZRIEHUXZPCQOI-CVEARBPZSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035371443 667308915 /nfs/dbraw/zinc/30/89/15/667308915.db2.gz SZRIEHUXZPCQOI-CVEARBPZSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861286 667462582 /nfs/dbraw/zinc/46/25/82/667462582.db2.gz DYUMZGZTYYDDNH-IYBDPMFKSA-N 2 1 301.434 0.886 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000890362297 668119585 /nfs/dbraw/zinc/11/95/85/668119585.db2.gz BMHNZCYJMQUOAS-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000890362297 668119588 /nfs/dbraw/zinc/11/95/88/668119588.db2.gz BMHNZCYJMQUOAS-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000890362297 668119589 /nfs/dbraw/zinc/11/95/89/668119589.db2.gz BMHNZCYJMQUOAS-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000890362297 668119592 /nfs/dbraw/zinc/11/95/92/668119592.db2.gz BMHNZCYJMQUOAS-CVEARBPZSA-N 2 1 322.453 0.230 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000876780893 668509726 /nfs/dbraw/zinc/50/97/26/668509726.db2.gz IXXNZVRONCSADV-CQSZACIVSA-N 2 1 316.877 0.990 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000876910289 668533882 /nfs/dbraw/zinc/53/38/82/668533882.db2.gz WLMFIBMGZWSART-GFCCVEGCSA-N 2 1 311.817 0.975 20 30 DCEDMP C#CCC[NH+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000776594773 668878792 /nfs/dbraw/zinc/87/87/92/668878792.db2.gz SWRZFHZQZFZIRC-UHFFFAOYSA-N 2 1 318.465 0.370 20 30 DCEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)C[C@@H]2C1 ZINC000931442136 669204531 /nfs/dbraw/zinc/20/45/31/669204531.db2.gz VUNSCLNOSBUJHY-OWCLPIDISA-N 2 1 307.438 0.941 20 30 DCEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCOCC3)C[C@@H]2C1 ZINC000931442136 669204535 /nfs/dbraw/zinc/20/45/35/669204535.db2.gz VUNSCLNOSBUJHY-OWCLPIDISA-N 2 1 307.438 0.941 20 30 DCEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C[C@@H]2C1 ZINC000931442136 669204541 /nfs/dbraw/zinc/20/45/41/669204541.db2.gz VUNSCLNOSBUJHY-OWCLPIDISA-N 2 1 307.438 0.941 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000948070565 670053403 /nfs/dbraw/zinc/05/34/03/670053403.db2.gz QRJAEHBRBZAGKG-GDBMZVCRSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269655 670091709 /nfs/dbraw/zinc/09/17/09/670091709.db2.gz QCPGBNVSLNVZJG-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269655 670091711 /nfs/dbraw/zinc/09/17/11/670091711.db2.gz QCPGBNVSLNVZJG-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948269655 670091716 /nfs/dbraw/zinc/09/17/16/670091716.db2.gz QCPGBNVSLNVZJG-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269655 670091721 /nfs/dbraw/zinc/09/17/21/670091721.db2.gz QCPGBNVSLNVZJG-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000849105133 670758267 /nfs/dbraw/zinc/75/82/67/670758267.db2.gz CVUANYQMGZPGJO-MRXNPFEDSA-N 2 1 323.485 0.501 20 30 DCEDMP C#C[C@](C)(CC)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000852098485 671088244 /nfs/dbraw/zinc/08/82/44/671088244.db2.gz OMNZHJXRIDTRCH-NVXWUHKLSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[N@@H+](CCOC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000852751957 671156220 /nfs/dbraw/zinc/15/62/20/671156220.db2.gz PWUXKGANNYHHSR-UHFFFAOYSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+](CCOC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000852751957 671156222 /nfs/dbraw/zinc/15/62/22/671156222.db2.gz PWUXKGANNYHHSR-UHFFFAOYSA-N 2 1 309.454 0.947 20 30 DCEDMP CCN1CC[NH+](CCCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873008 671181588 /nfs/dbraw/zinc/18/15/88/671181588.db2.gz NZZHHHYMKYSWEG-UHFFFAOYSA-N 2 1 306.454 0.133 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@H](C)O)CC1 ZINC001024812402 693836282 /nfs/dbraw/zinc/83/62/82/693836282.db2.gz OJHNPWQBAFMATF-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000303890223 685208255 /nfs/dbraw/zinc/20/82/55/685208255.db2.gz MLWOONCDWYLPMF-UHFFFAOYSA-N 2 1 321.381 0.721 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958174898 687405748 /nfs/dbraw/zinc/40/57/48/687405748.db2.gz IXRHPMWFORYEOX-HZPDHXFCSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](C)OC)CC1 ZINC001039042222 694284326 /nfs/dbraw/zinc/28/43/26/694284326.db2.gz NRBUNUFIMRDLMT-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCOC)CC[C@H]2C)CC1 ZINC000968681621 690365010 /nfs/dbraw/zinc/36/50/10/690365010.db2.gz KQGGCSTWVHQBEQ-WBVHZDCISA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@H]2C)CC1 ZINC000968682940 690365232 /nfs/dbraw/zinc/36/52/32/690365232.db2.gz WKNANCZBGUFZNR-NVXWUHKLSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360089 690668774 /nfs/dbraw/zinc/66/87/74/690668774.db2.gz KIUDCVGCBDYVRX-HNNXBMFYSA-N 2 1 317.437 0.662 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360729 690668841 /nfs/dbraw/zinc/66/88/41/690668841.db2.gz UDKKNDJZPUDZDO-OAHLLOKOSA-N 2 1 317.437 0.662 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360729 690668843 /nfs/dbraw/zinc/66/88/43/690668843.db2.gz UDKKNDJZPUDZDO-OAHLLOKOSA-N 2 1 317.437 0.662 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322984 692263662 /nfs/dbraw/zinc/26/36/62/692263662.db2.gz GLBHDFVLEKVBOB-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015322984 692263665 /nfs/dbraw/zinc/26/36/65/692263665.db2.gz GLBHDFVLEKVBOB-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015322984 692263669 /nfs/dbraw/zinc/26/36/69/692263669.db2.gz GLBHDFVLEKVBOB-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001016330481 692654222 /nfs/dbraw/zinc/65/42/22/692654222.db2.gz GSECATUKCQYXEU-WBVHZDCISA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016984688 692820457 /nfs/dbraw/zinc/82/04/57/692820457.db2.gz GFUPDZCWJNXSKT-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016984688 692820464 /nfs/dbraw/zinc/82/04/64/692820464.db2.gz GFUPDZCWJNXSKT-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001018985747 693307633 /nfs/dbraw/zinc/30/76/33/693307633.db2.gz CINRUCBQZWTEHE-BBWFWOEESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001018985747 693307637 /nfs/dbraw/zinc/30/76/37/693307637.db2.gz CINRUCBQZWTEHE-BBWFWOEESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599806 694749618 /nfs/dbraw/zinc/74/96/18/694749618.db2.gz OVPQUCOBTILQTF-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599806 694749619 /nfs/dbraw/zinc/74/96/19/694749619.db2.gz OVPQUCOBTILQTF-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599806 694749620 /nfs/dbraw/zinc/74/96/20/694749620.db2.gz OVPQUCOBTILQTF-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599806 694749621 /nfs/dbraw/zinc/74/96/21/694749621.db2.gz OVPQUCOBTILQTF-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001073605894 694750630 /nfs/dbraw/zinc/75/06/30/694750630.db2.gz YCRWLMNMVLDGAT-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073605894 694750632 /nfs/dbraw/zinc/75/06/32/694750632.db2.gz YCRWLMNMVLDGAT-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605894 694750634 /nfs/dbraw/zinc/75/06/34/694750634.db2.gz YCRWLMNMVLDGAT-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605894 694750636 /nfs/dbraw/zinc/75/06/36/694750636.db2.gz YCRWLMNMVLDGAT-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661693 694761505 /nfs/dbraw/zinc/76/15/05/694761505.db2.gz BSSQWVFYEJZVKO-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073661693 694761507 /nfs/dbraw/zinc/76/15/07/694761507.db2.gz BSSQWVFYEJZVKO-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001073661693 694761508 /nfs/dbraw/zinc/76/15/08/694761508.db2.gz BSSQWVFYEJZVKO-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001077000839 695122840 /nfs/dbraw/zinc/12/28/40/695122840.db2.gz SKDRQXNEYYFIJJ-USXIJHARSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001077000839 695122841 /nfs/dbraw/zinc/12/28/41/695122841.db2.gz SKDRQXNEYYFIJJ-USXIJHARSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001077000839 695122842 /nfs/dbraw/zinc/12/28/42/695122842.db2.gz SKDRQXNEYYFIJJ-USXIJHARSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001077000839 695122844 /nfs/dbraw/zinc/12/28/44/695122844.db2.gz SKDRQXNEYYFIJJ-USXIJHARSA-N 2 1 321.465 0.988 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccsc1 ZINC001571431489 1162749987 /nfs/dbraw/zinc/74/99/87/1162749987.db2.gz VYSXAFAPRSAEQH-CABCVRRESA-N 2 1 321.446 0.412 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccsc1 ZINC001571431489 1162749992 /nfs/dbraw/zinc/74/99/92/1162749992.db2.gz VYSXAFAPRSAEQH-CABCVRRESA-N 2 1 321.446 0.412 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCOCC)C(C)(C)C1 ZINC001571558520 1162810733 /nfs/dbraw/zinc/81/07/33/1162810733.db2.gz LMYKBBDMINBLMO-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCOCC)C(C)(C)C1 ZINC001571558520 1162810738 /nfs/dbraw/zinc/81/07/38/1162810738.db2.gz LMYKBBDMINBLMO-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001571587834 1162831633 /nfs/dbraw/zinc/83/16/33/1162831633.db2.gz QVXMGSQDXOOSOO-CVEARBPZSA-N 2 1 309.454 0.541 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001571596829 1162839620 /nfs/dbraw/zinc/83/96/20/1162839620.db2.gz ACZOHWGMBISWKZ-QGZVFWFLSA-N 2 1 317.433 0.551 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001571596829 1162839630 /nfs/dbraw/zinc/83/96/30/1162839630.db2.gz ACZOHWGMBISWKZ-QGZVFWFLSA-N 2 1 317.433 0.551 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001691154522 1157600150 /nfs/dbraw/zinc/60/01/50/1157600150.db2.gz QNLFTKSVUJVJEU-BBWFWOEESA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001691154522 1157600152 /nfs/dbraw/zinc/60/01/52/1157600152.db2.gz QNLFTKSVUJVJEU-BBWFWOEESA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001691154522 1157600155 /nfs/dbraw/zinc/60/01/55/1157600155.db2.gz QNLFTKSVUJVJEU-BBWFWOEESA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001692150924 1157659410 /nfs/dbraw/zinc/65/94/10/1157659410.db2.gz MVLUTRNVJFZSLR-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001692150924 1157659412 /nfs/dbraw/zinc/65/94/12/1157659412.db2.gz MVLUTRNVJFZSLR-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001754777829 1157858269 /nfs/dbraw/zinc/85/82/69/1157858269.db2.gz DIFASZFFLWXCAS-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001691777811 1157953376 /nfs/dbraw/zinc/95/33/76/1157953376.db2.gz ICZDMDNQCATSNX-JKSUJKDBSA-N 2 1 303.406 0.950 20 30 DCEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001691777811 1157953380 /nfs/dbraw/zinc/95/33/80/1157953380.db2.gz ICZDMDNQCATSNX-JKSUJKDBSA-N 2 1 303.406 0.950 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCOC2)CC1 ZINC001670797614 1158092592 /nfs/dbraw/zinc/09/25/92/1158092592.db2.gz JKHMXMPGIFADAB-GJZGRUSLSA-N 2 1 305.422 0.359 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCOC2)CC1 ZINC001670797614 1158092600 /nfs/dbraw/zinc/09/26/00/1158092600.db2.gz JKHMXMPGIFADAB-GJZGRUSLSA-N 2 1 305.422 0.359 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001755443790 1158141480 /nfs/dbraw/zinc/14/14/80/1158141480.db2.gz DEFWXJLDIKZXSI-CABCVRRESA-N 2 1 309.454 0.803 20 30 DCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691528454 1158214304 /nfs/dbraw/zinc/21/43/04/1158214304.db2.gz PSUVVDRUDJBBCS-BZUAXINKSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691528454 1158214306 /nfs/dbraw/zinc/21/43/06/1158214306.db2.gz PSUVVDRUDJBBCS-BZUAXINKSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691528454 1158214309 /nfs/dbraw/zinc/21/43/09/1158214309.db2.gz PSUVVDRUDJBBCS-BZUAXINKSA-N 2 1 309.454 0.798 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691535295 1158317569 /nfs/dbraw/zinc/31/75/69/1158317569.db2.gz DOVILJFGADSACY-QGZVFWFLSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082036 1158436063 /nfs/dbraw/zinc/43/60/63/1158436063.db2.gz JTOYXKVDOASROA-ZIAGYGMSSA-N 2 1 310.442 0.256 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001566643756 1160108459 /nfs/dbraw/zinc/10/84/59/1160108459.db2.gz SSMVMBBKGPSGAU-QGZVFWFLSA-N 2 1 322.497 0.720 20 30 DCEDMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001566879250 1160175083 /nfs/dbraw/zinc/17/50/83/1160175083.db2.gz IPKRTQZYUDNJAO-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001567105888 1160241750 /nfs/dbraw/zinc/24/17/50/1160241750.db2.gz ABUZOPIOSIWYPH-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001569646751 1161180008 /nfs/dbraw/zinc/18/00/08/1161180008.db2.gz REIVLCQSQBQWIS-INIZCTEOSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001569646751 1161180011 /nfs/dbraw/zinc/18/00/11/1161180011.db2.gz REIVLCQSQBQWIS-INIZCTEOSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001569775599 1161241268 /nfs/dbraw/zinc/24/12/68/1161241268.db2.gz HNWZYEVIBMAETO-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001569775599 1161241271 /nfs/dbraw/zinc/24/12/71/1161241271.db2.gz HNWZYEVIBMAETO-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001569883913 1161293641 /nfs/dbraw/zinc/29/36/41/1161293641.db2.gz HWXQMGFJAQBBPE-INIZCTEOSA-N 2 1 308.470 0.827 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001569886639 1161295615 /nfs/dbraw/zinc/29/56/15/1161295615.db2.gz IQHHPWCJBAXOJJ-UHFFFAOYSA-N 2 1 308.470 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCO)CC1 ZINC001570040445 1161391721 /nfs/dbraw/zinc/39/17/21/1161391721.db2.gz RBWLBUBZVGSIOP-ULQDDVLXSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCO)CC1 ZINC001570040445 1161391730 /nfs/dbraw/zinc/39/17/30/1161391730.db2.gz RBWLBUBZVGSIOP-ULQDDVLXSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001570167366 1161468939 /nfs/dbraw/zinc/46/89/39/1161468939.db2.gz OFGGJNKWOQGFQS-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001570291196 1161548351 /nfs/dbraw/zinc/54/83/51/1161548351.db2.gz MPNPKZFGDAIBJN-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C[N@@H+](CCCO)C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001578469370 1165025468 /nfs/dbraw/zinc/02/54/68/1165025468.db2.gz YYSAZIBOHMXPHD-UHFFFAOYSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001649976086 1173353872 /nfs/dbraw/zinc/35/38/72/1173353872.db2.gz OGLGPLWBMBFRFR-GYMHETDLSA-N 2 1 320.437 0.353 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001656138036 1173844567 /nfs/dbraw/zinc/84/45/67/1173844567.db2.gz QRERSSIHNHGMLZ-IXDOHACOSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001656780279 1173883456 /nfs/dbraw/zinc/88/34/56/1173883456.db2.gz SQILACRHBGXJDA-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001661742928 1174153325 /nfs/dbraw/zinc/15/33/25/1174153325.db2.gz HFQCYTHRRPKXAG-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001661742936 1174153606 /nfs/dbraw/zinc/15/36/06/1174153606.db2.gz HIVPXIRRGTUVSS-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001661742936 1174153610 /nfs/dbraw/zinc/15/36/10/1174153610.db2.gz HIVPXIRRGTUVSS-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662685174 1174232021 /nfs/dbraw/zinc/23/20/21/1174232021.db2.gz DAFUIOGLXKIRBG-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001667182617 1174667389 /nfs/dbraw/zinc/66/73/89/1174667389.db2.gz KDPAQGOZNCEQEC-ZBFHGGJFSA-N 2 1 318.421 0.668 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccnn1C ZINC001668869262 1174854011 /nfs/dbraw/zinc/85/40/11/1174854011.db2.gz ZLJUUBGCOAXVHY-AWFCHZOYSA-N 2 1 315.421 0.280 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccnn1C ZINC001668869262 1174854013 /nfs/dbraw/zinc/85/40/13/1174854013.db2.gz ZLJUUBGCOAXVHY-AWFCHZOYSA-N 2 1 315.421 0.280 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001672455715 1175109349 /nfs/dbraw/zinc/10/93/49/1175109349.db2.gz NYQJSEFANNPZTI-UHFFFAOYSA-N 2 1 306.454 0.274 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001672495428 1175116917 /nfs/dbraw/zinc/11/69/17/1175116917.db2.gz KFACMEHJMFRFGH-GOSISDBHSA-N 2 1 323.481 0.931 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001672495428 1175116920 /nfs/dbraw/zinc/11/69/20/1175116920.db2.gz KFACMEHJMFRFGH-GOSISDBHSA-N 2 1 323.481 0.931 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001672495428 1175116921 /nfs/dbraw/zinc/11/69/21/1175116921.db2.gz KFACMEHJMFRFGH-GOSISDBHSA-N 2 1 323.481 0.931 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001672495428 1175116923 /nfs/dbraw/zinc/11/69/23/1175116923.db2.gz KFACMEHJMFRFGH-GOSISDBHSA-N 2 1 323.481 0.931 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001674499282 1175280030 /nfs/dbraw/zinc/28/00/30/1175280030.db2.gz GJCWTWGGYKIVNB-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001674499282 1175280031 /nfs/dbraw/zinc/28/00/31/1175280031.db2.gz GJCWTWGGYKIVNB-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001674499282 1175280035 /nfs/dbraw/zinc/28/00/35/1175280035.db2.gz GJCWTWGGYKIVNB-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001674499282 1175280037 /nfs/dbraw/zinc/28/00/37/1175280037.db2.gz GJCWTWGGYKIVNB-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C[C@@H]1C[N@H+](CCCNC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC001674965524 1175313284 /nfs/dbraw/zinc/31/32/84/1175313284.db2.gz XAZKGNFQZBIURA-GASCZTMLSA-N 2 1 310.442 0.350 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001675467440 1175359650 /nfs/dbraw/zinc/35/96/50/1175359650.db2.gz GKNVBEKNQJNCDP-ZDUSSCGKSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001675467440 1175359654 /nfs/dbraw/zinc/35/96/54/1175359654.db2.gz GKNVBEKNQJNCDP-ZDUSSCGKSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001676423837 1175445000 /nfs/dbraw/zinc/44/50/00/1175445000.db2.gz KJPKOGYGRDNUBH-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001677632249 1175587744 /nfs/dbraw/zinc/58/77/44/1175587744.db2.gz JITBDUFKXGYENG-OAHLLOKOSA-N 2 1 307.438 0.889 20 30 DCEDMP CC(C)OCC[NH+]1CCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001687889177 1175591155 /nfs/dbraw/zinc/59/11/55/1175591155.db2.gz OPPKLZBBLMISOR-UHFFFAOYSA-N 2 1 310.442 0.304 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001688896279 1176649500 /nfs/dbraw/zinc/64/95/00/1176649500.db2.gz ZSMINAJEKJRNDD-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001688896279 1176649503 /nfs/dbraw/zinc/64/95/03/1176649503.db2.gz ZSMINAJEKJRNDD-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001689340236 1176835067 /nfs/dbraw/zinc/83/50/67/1176835067.db2.gz JEFXRIBCEIYYKG-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001689340236 1176835075 /nfs/dbraw/zinc/83/50/75/1176835075.db2.gz JEFXRIBCEIYYKG-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001689340236 1176835083 /nfs/dbraw/zinc/83/50/83/1176835083.db2.gz JEFXRIBCEIYYKG-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001689340236 1176835090 /nfs/dbraw/zinc/83/50/90/1176835090.db2.gz JEFXRIBCEIYYKG-KGLIPLIRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001690073371 1177162830 /nfs/dbraw/zinc/16/28/30/1177162830.db2.gz RTSDDNZSZHECST-JKSUJKDBSA-N 2 1 308.470 0.637 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001692241241 1177456788 /nfs/dbraw/zinc/45/67/88/1177456788.db2.gz HELMWTISWFXHHU-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001692241241 1177456792 /nfs/dbraw/zinc/45/67/92/1177456792.db2.gz HELMWTISWFXHHU-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001692241241 1177456796 /nfs/dbraw/zinc/45/67/96/1177456796.db2.gz HELMWTISWFXHHU-DLBZAZTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001692245155 1177459099 /nfs/dbraw/zinc/45/90/99/1177459099.db2.gz MCJGTUPZLIIKJJ-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001692245155 1177459103 /nfs/dbraw/zinc/45/91/03/1177459103.db2.gz MCJGTUPZLIIKJJ-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001692245155 1177459111 /nfs/dbraw/zinc/45/91/11/1177459111.db2.gz MCJGTUPZLIIKJJ-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001692361733 1177495574 /nfs/dbraw/zinc/49/55/74/1177495574.db2.gz SLEVHYYEYWRCDA-OIISXLGYSA-N 2 1 319.449 0.557 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001692361733 1177495581 /nfs/dbraw/zinc/49/55/81/1177495581.db2.gz SLEVHYYEYWRCDA-OIISXLGYSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccn1 ZINC001699271336 1178013152 /nfs/dbraw/zinc/01/31/52/1178013152.db2.gz NTPSZCDRVGXRJM-RTRPANQVSA-N 2 1 312.417 0.941 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccn1 ZINC001699271336 1178013160 /nfs/dbraw/zinc/01/31/60/1178013160.db2.gz NTPSZCDRVGXRJM-RTRPANQVSA-N 2 1 312.417 0.941 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCOC)CC1 ZINC001699783459 1178285738 /nfs/dbraw/zinc/28/57/38/1178285738.db2.gz XWWASKGJOFFGBA-NVXWUHKLSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001700001954 1178419909 /nfs/dbraw/zinc/41/99/09/1178419909.db2.gz FOSKHSLKZNIXHO-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001700001954 1178419912 /nfs/dbraw/zinc/41/99/12/1178419912.db2.gz FOSKHSLKZNIXHO-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001700001954 1178419915 /nfs/dbraw/zinc/41/99/15/1178419915.db2.gz FOSKHSLKZNIXHO-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001700001954 1178419918 /nfs/dbraw/zinc/41/99/18/1178419918.db2.gz FOSKHSLKZNIXHO-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001700006503 1178425179 /nfs/dbraw/zinc/42/51/79/1178425179.db2.gz RDAKUGJRBJVKJY-KRWDZBQOSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001700006503 1178425183 /nfs/dbraw/zinc/42/51/83/1178425183.db2.gz RDAKUGJRBJVKJY-KRWDZBQOSA-N 2 1 307.438 0.439 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001700352198 1178593698 /nfs/dbraw/zinc/59/36/98/1178593698.db2.gz UOSJZSNHBCEATP-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001700352198 1178593700 /nfs/dbraw/zinc/59/37/00/1178593700.db2.gz UOSJZSNHBCEATP-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001700352198 1178593704 /nfs/dbraw/zinc/59/37/04/1178593704.db2.gz UOSJZSNHBCEATP-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001700352198 1178593710 /nfs/dbraw/zinc/59/37/10/1178593710.db2.gz UOSJZSNHBCEATP-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001700566302 1178659714 /nfs/dbraw/zinc/65/97/14/1178659714.db2.gz IMFIOCYJDWRVKR-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001700566302 1178659717 /nfs/dbraw/zinc/65/97/17/1178659717.db2.gz IMFIOCYJDWRVKR-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001700566302 1178659718 /nfs/dbraw/zinc/65/97/18/1178659718.db2.gz IMFIOCYJDWRVKR-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001700566302 1178659720 /nfs/dbraw/zinc/65/97/20/1178659720.db2.gz IMFIOCYJDWRVKR-KRWDZBQOSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001700703690 1178713593 /nfs/dbraw/zinc/71/35/93/1178713593.db2.gz BDFWYBCUGPQCCL-OAHLLOKOSA-N 2 1 318.421 0.533 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001700939712 1178817866 /nfs/dbraw/zinc/81/78/66/1178817866.db2.gz SSORGYHFQFGUAH-HOTGVXAUSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001700988611 1178861754 /nfs/dbraw/zinc/86/17/54/1178861754.db2.gz GGTZUSBFONGANV-OAHLLOKOSA-N 2 1 320.437 0.962 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1OCC ZINC001707152067 1180423851 /nfs/dbraw/zinc/42/38/51/1180423851.db2.gz KOSHPKXIDKPNBL-IIAWOOMASA-N 2 1 318.421 0.675 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001707209059 1180436229 /nfs/dbraw/zinc/43/62/29/1180436229.db2.gz NZCQISSCDJNPSQ-YESZJQIVSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001707209059 1180436231 /nfs/dbraw/zinc/43/62/31/1180436231.db2.gz NZCQISSCDJNPSQ-YESZJQIVSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001707209059 1180436235 /nfs/dbraw/zinc/43/62/35/1180436235.db2.gz NZCQISSCDJNPSQ-YESZJQIVSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001707211975 1180437186 /nfs/dbraw/zinc/43/71/86/1180437186.db2.gz HMLMTLULVBHNTA-OAHLLOKOSA-N 2 1 306.410 0.663 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001707211975 1180437189 /nfs/dbraw/zinc/43/71/89/1180437189.db2.gz HMLMTLULVBHNTA-OAHLLOKOSA-N 2 1 306.410 0.663 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001713074795 1180667317 /nfs/dbraw/zinc/66/73/17/1180667317.db2.gz IWAOOEYRNFJJAZ-UHFFFAOYSA-N 2 1 318.465 0.229 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001713220693 1180725655 /nfs/dbraw/zinc/72/56/55/1180725655.db2.gz PZDVXZBMQBNKRN-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001713744206 1181039969 /nfs/dbraw/zinc/03/99/69/1181039969.db2.gz LORJJZHPBAPVOP-UHFFFAOYSA-N 2 1 320.481 0.428 20 30 DCEDMP CC[C@@H](C(=O)NCC1C[NH+](CC#CCOC)C1)[NH+](CC)CC ZINC001713916789 1181146160 /nfs/dbraw/zinc/14/61/60/1181146160.db2.gz CWCBPEBBBYOUJJ-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714049685 1181225494 /nfs/dbraw/zinc/22/54/94/1181225494.db2.gz PZDVXZBMQBNKRN-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714049687 1181226967 /nfs/dbraw/zinc/22/69/67/1181226967.db2.gz PZDVXZBMQBNKRN-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC#CC)C1 ZINC001714070234 1181231878 /nfs/dbraw/zinc/23/18/78/1181231878.db2.gz IWBCCKJIONQODV-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC#CC)C1 ZINC001714070234 1181231884 /nfs/dbraw/zinc/23/18/84/1181231884.db2.gz IWBCCKJIONQODV-SJORKVTESA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCC1 ZINC001714507033 1181396118 /nfs/dbraw/zinc/39/61/18/1181396118.db2.gz NNPLREFYVARYFA-UHFFFAOYSA-N 2 1 307.438 0.751 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001714625855 1181448959 /nfs/dbraw/zinc/44/89/59/1181448959.db2.gz ULIABKFHUFQPDP-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001714634338 1181453467 /nfs/dbraw/zinc/45/34/67/1181453467.db2.gz LYSAVRDRELSWHQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001714634338 1181453471 /nfs/dbraw/zinc/45/34/71/1181453471.db2.gz LYSAVRDRELSWHQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714634338 1181453474 /nfs/dbraw/zinc/45/34/74/1181453474.db2.gz LYSAVRDRELSWHQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001716087258 1182182827 /nfs/dbraw/zinc/18/28/27/1182182827.db2.gz CEZKLCGJMLZZGZ-KBPBESRZSA-N 2 1 306.410 0.487 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001716098648 1182189065 /nfs/dbraw/zinc/18/90/65/1182189065.db2.gz HVDDMYHCPUOVHM-DZGCQCFKSA-N 2 1 306.410 0.397 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC#CCOC)CC[N@H+]1C ZINC001716479952 1182405759 /nfs/dbraw/zinc/40/57/59/1182405759.db2.gz JZDSIVHMLMQJJL-OWCLPIDISA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC#CCOC)CC[NH+]1C ZINC001716479952 1182405762 /nfs/dbraw/zinc/40/57/62/1182405762.db2.gz JZDSIVHMLMQJJL-OWCLPIDISA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC#CCOC)CC[NH+]1C ZINC001716479952 1182405765 /nfs/dbraw/zinc/40/57/65/1182405765.db2.gz JZDSIVHMLMQJJL-OWCLPIDISA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCCO)CC1 ZINC001716806498 1182531761 /nfs/dbraw/zinc/53/17/61/1182531761.db2.gz BVNHNHIJLTWHPY-UHFFFAOYSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001716943326 1182597947 /nfs/dbraw/zinc/59/79/47/1182597947.db2.gz JWBJVMFDWNOSOP-HNNXBMFYSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001716943326 1182597950 /nfs/dbraw/zinc/59/79/50/1182597950.db2.gz JWBJVMFDWNOSOP-HNNXBMFYSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001716946877 1182599826 /nfs/dbraw/zinc/59/98/26/1182599826.db2.gz RHZNMZDQLSGTHC-GASCZTMLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001716946877 1182599832 /nfs/dbraw/zinc/59/98/32/1182599832.db2.gz RHZNMZDQLSGTHC-GASCZTMLSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001716971997 1182606778 /nfs/dbraw/zinc/60/67/78/1182606778.db2.gz UZSGJAZGPSSERQ-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001717013024 1182622307 /nfs/dbraw/zinc/62/23/07/1182622307.db2.gz USMOBSKZTKJKMJ-CALCHBBNSA-N 2 1 321.465 0.921 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC001717266958 1182758666 /nfs/dbraw/zinc/75/86/66/1182758666.db2.gz UMMQGJOTESRPJE-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001717587984 1182913153 /nfs/dbraw/zinc/91/31/53/1182913153.db2.gz QJASOHCMSATBCG-KBPBESRZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001717587984 1182913160 /nfs/dbraw/zinc/91/31/60/1182913160.db2.gz QJASOHCMSATBCG-KBPBESRZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717587984 1182913167 /nfs/dbraw/zinc/91/31/67/1182913167.db2.gz QJASOHCMSATBCG-KBPBESRZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717587984 1182913184 /nfs/dbraw/zinc/91/31/84/1182913184.db2.gz QJASOHCMSATBCG-KBPBESRZSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722905334 1184230664 /nfs/dbraw/zinc/23/06/64/1184230664.db2.gz PSMLDRCSDJQIHN-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722905334 1184230671 /nfs/dbraw/zinc/23/06/71/1184230671.db2.gz PSMLDRCSDJQIHN-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#CCOC)C1CC1 ZINC001723300954 1184282377 /nfs/dbraw/zinc/28/23/77/1184282377.db2.gz MCAMFKFAZLCCDV-IRXDYDNUSA-N 2 1 317.433 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#CCOC)C1CC1 ZINC001723300954 1184282383 /nfs/dbraw/zinc/28/23/83/1184282383.db2.gz MCAMFKFAZLCCDV-IRXDYDNUSA-N 2 1 317.433 0.218 20 30 DCEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001724129111 1184380763 /nfs/dbraw/zinc/38/07/63/1184380763.db2.gz NUWHBTFTFWQBEJ-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001724129111 1184380778 /nfs/dbraw/zinc/38/07/78/1184380778.db2.gz NUWHBTFTFWQBEJ-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001724129111 1184380784 /nfs/dbraw/zinc/38/07/84/1184380784.db2.gz NUWHBTFTFWQBEJ-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001724129112 1184381310 /nfs/dbraw/zinc/38/13/10/1184381310.db2.gz NUWHBTFTFWQBEJ-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001724129112 1184381314 /nfs/dbraw/zinc/38/13/14/1184381314.db2.gz NUWHBTFTFWQBEJ-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001724129112 1184381323 /nfs/dbraw/zinc/38/13/23/1184381323.db2.gz NUWHBTFTFWQBEJ-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001724669466 1184508644 /nfs/dbraw/zinc/50/86/44/1184508644.db2.gz KSCVCHGNWWUWSY-QGZVFWFLSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001724736062 1184540262 /nfs/dbraw/zinc/54/02/62/1184540262.db2.gz ABSSZESRRSMAGC-MRXNPFEDSA-N 2 1 318.421 0.670 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001724840645 1184589063 /nfs/dbraw/zinc/58/90/63/1184589063.db2.gz XYKHGPJUUDMOMY-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CCOC)CC1 ZINC001724860332 1184595583 /nfs/dbraw/zinc/59/55/83/1184595583.db2.gz MVNXJDUVJLTJBV-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001725170952 1184706671 /nfs/dbraw/zinc/70/66/71/1184706671.db2.gz MLWKLFVNAYTWHL-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725170952 1184706676 /nfs/dbraw/zinc/70/66/76/1184706676.db2.gz MLWKLFVNAYTWHL-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001725170952 1184706682 /nfs/dbraw/zinc/70/66/82/1184706682.db2.gz MLWKLFVNAYTWHL-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001725360137 1184785311 /nfs/dbraw/zinc/78/53/11/1184785311.db2.gz VZWBXLBQXUMHQY-JOCQHMNTSA-N 2 1 304.394 0.858 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725518862 1184855358 /nfs/dbraw/zinc/85/53/58/1184855358.db2.gz VCLAKNQTKIDREZ-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725716362 1184964820 /nfs/dbraw/zinc/96/48/20/1184964820.db2.gz XHPAPDMISQDOJE-CVEARBPZSA-N 2 1 309.454 0.655 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001731670694 1185438351 /nfs/dbraw/zinc/43/83/51/1185438351.db2.gz FCAFUNAMVFVTPE-CABCVRRESA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001732089477 1185665560 /nfs/dbraw/zinc/66/55/60/1185665560.db2.gz RZXHKYSOZFTLBN-IKGGRYGDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001732089477 1185665566 /nfs/dbraw/zinc/66/55/66/1185665566.db2.gz RZXHKYSOZFTLBN-IKGGRYGDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCC[C@@H](C)O)CC1 ZINC001733067978 1186124718 /nfs/dbraw/zinc/12/47/18/1186124718.db2.gz SWVAXBSEBIIECT-JKSUJKDBSA-N 2 1 323.481 0.929 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001733465211 1186276782 /nfs/dbraw/zinc/27/67/82/1186276782.db2.gz JTONSPIKJHQIEI-SFHVURJKSA-N 2 1 321.465 0.950 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001733465211 1186276791 /nfs/dbraw/zinc/27/67/91/1186276791.db2.gz JTONSPIKJHQIEI-SFHVURJKSA-N 2 1 321.465 0.950 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001734117248 1186551584 /nfs/dbraw/zinc/55/15/84/1186551584.db2.gz NBJQLHXQWZNOTR-AWEZNQCLSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734117248 1186551586 /nfs/dbraw/zinc/55/15/86/1186551586.db2.gz NBJQLHXQWZNOTR-AWEZNQCLSA-N 2 1 307.438 0.557 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001734363428 1186624928 /nfs/dbraw/zinc/62/49/28/1186624928.db2.gz YNYCEVMANAWSON-IRXDYDNUSA-N 2 1 315.417 0.199 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001750930846 1188360558 /nfs/dbraw/zinc/36/05/58/1188360558.db2.gz OPNZSHYRPIATMP-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001750930846 1188360559 /nfs/dbraw/zinc/36/05/59/1188360559.db2.gz OPNZSHYRPIATMP-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001752357583 1188417502 /nfs/dbraw/zinc/41/75/02/1188417502.db2.gz WEXVBUTVHKEKTN-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C=C(C)CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001752357583 1188417506 /nfs/dbraw/zinc/41/75/06/1188417506.db2.gz WEXVBUTVHKEKTN-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C=C(C)CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001752357583 1188417510 /nfs/dbraw/zinc/41/75/10/1188417510.db2.gz WEXVBUTVHKEKTN-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001752382193 1188420503 /nfs/dbraw/zinc/42/05/03/1188420503.db2.gz ZBULYZJTAXYPBO-MRXNPFEDSA-N 2 1 308.470 0.781 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001753511574 1188612297 /nfs/dbraw/zinc/61/22/97/1188612297.db2.gz IKDUWWXDBIZBQI-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001754308742 1188817285 /nfs/dbraw/zinc/81/72/85/1188817285.db2.gz FIXODVKZDKZYJT-AWEZNQCLSA-N 2 1 305.426 0.518 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001754309106 1188817415 /nfs/dbraw/zinc/81/74/15/1188817415.db2.gz HYDTVZAJDOYYTC-HOCLYGCPSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001754379289 1188837923 /nfs/dbraw/zinc/83/79/23/1188837923.db2.gz PHIIDZAMTWIGAB-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC#CCOC)C[C@@H]2C1 ZINC001754846749 1188947126 /nfs/dbraw/zinc/94/71/26/1188947126.db2.gz TZYYGKWVVPOIMA-IYBDPMFKSA-N 2 1 307.438 0.368 20 30 DCEDMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2C1 ZINC001754846749 1188947128 /nfs/dbraw/zinc/94/71/28/1188947128.db2.gz TZYYGKWVVPOIMA-IYBDPMFKSA-N 2 1 307.438 0.368 20 30 DCEDMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2C1 ZINC001754846749 1188947130 /nfs/dbraw/zinc/94/71/30/1188947130.db2.gz TZYYGKWVVPOIMA-IYBDPMFKSA-N 2 1 307.438 0.368 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001755111684 1189026285 /nfs/dbraw/zinc/02/62/85/1189026285.db2.gz JGRDUNVWFHBRIH-SWLSCSKDSA-N 2 1 304.394 0.810 20 30 DCEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001755135070 1189032420 /nfs/dbraw/zinc/03/24/20/1189032420.db2.gz XGKNWXHDPFFJCU-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001755135070 1189032423 /nfs/dbraw/zinc/03/24/23/1189032423.db2.gz XGKNWXHDPFFJCU-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001755182021 1189049656 /nfs/dbraw/zinc/04/96/56/1189049656.db2.gz HDXZCLOUIKNTRP-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001755182021 1189049658 /nfs/dbraw/zinc/04/96/58/1189049658.db2.gz HDXZCLOUIKNTRP-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001755182021 1189049667 /nfs/dbraw/zinc/04/96/67/1189049667.db2.gz HDXZCLOUIKNTRP-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001755182021 1189049670 /nfs/dbraw/zinc/04/96/70/1189049670.db2.gz HDXZCLOUIKNTRP-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755199914 1189054118 /nfs/dbraw/zinc/05/41/18/1189054118.db2.gz AYXFRHQBYMAOCT-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755199914 1189054121 /nfs/dbraw/zinc/05/41/21/1189054121.db2.gz AYXFRHQBYMAOCT-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755199914 1189054126 /nfs/dbraw/zinc/05/41/26/1189054126.db2.gz AYXFRHQBYMAOCT-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001755392105 1189100393 /nfs/dbraw/zinc/10/03/93/1189100393.db2.gz QOWOKXPPHXFSMG-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001755699322 1189188535 /nfs/dbraw/zinc/18/85/35/1189188535.db2.gz AZNAQGWQZCQKNN-YOEHRIQHSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001755705079 1189189641 /nfs/dbraw/zinc/18/96/41/1189189641.db2.gz UMEWKFBEKPSTQJ-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001755705079 1189189643 /nfs/dbraw/zinc/18/96/43/1189189643.db2.gz UMEWKFBEKPSTQJ-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001755705079 1189189645 /nfs/dbraw/zinc/18/96/45/1189189645.db2.gz UMEWKFBEKPSTQJ-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755801209 1189222321 /nfs/dbraw/zinc/22/23/21/1189222321.db2.gz WQVVZVYTJZWQJY-HZPDHXFCSA-N 2 1 307.438 0.103 20 30 DCEDMP N#Cc1ccnc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC001771983072 1190579102 /nfs/dbraw/zinc/57/91/02/1190579102.db2.gz SFLPMBGHFCLWJF-UHFFFAOYSA-N 2 1 311.393 0.559 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167225384 747026528 /nfs/dbraw/zinc/02/65/28/747026528.db2.gz SZDHVWJFJGYNIW-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168022682 749046951 /nfs/dbraw/zinc/04/69/51/749046951.db2.gz PYYRACYMWFNAAY-GJZGRUSLSA-N 2 1 322.453 0.401 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011454 749190096 /nfs/dbraw/zinc/19/00/96/749190096.db2.gz OBLKVRPAXFBYOJ-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011454 749190101 /nfs/dbraw/zinc/19/01/01/749190101.db2.gz OBLKVRPAXFBYOJ-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011454 749190104 /nfs/dbraw/zinc/19/01/04/749190104.db2.gz OBLKVRPAXFBYOJ-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011454 749190107 /nfs/dbraw/zinc/19/01/07/749190107.db2.gz OBLKVRPAXFBYOJ-WCXIOVBPSA-N 2 1 319.449 0.509 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001077130508 750215802 /nfs/dbraw/zinc/21/58/02/750215802.db2.gz BJKCUKGQQAJAMC-HZSPNIEDSA-N 2 1 304.394 0.498 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077130508 750215806 /nfs/dbraw/zinc/21/58/06/750215806.db2.gz BJKCUKGQQAJAMC-HZSPNIEDSA-N 2 1 304.394 0.498 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132336 750218145 /nfs/dbraw/zinc/21/81/45/750218145.db2.gz UDQXBLVOFDVMLN-ARFHVFGLSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132336 750218147 /nfs/dbraw/zinc/21/81/47/750218147.db2.gz UDQXBLVOFDVMLN-ARFHVFGLSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132336 750218152 /nfs/dbraw/zinc/21/81/52/750218152.db2.gz UDQXBLVOFDVMLN-ARFHVFGLSA-N 2 1 307.438 0.434 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@@H](O)C1 ZINC001083579828 750409827 /nfs/dbraw/zinc/40/98/27/750409827.db2.gz FBOMTBXEFFQUBY-YUELXQCFSA-N 2 1 304.394 0.183 20 30 DCEDMP C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@@H](O)C1 ZINC001083579828 750409831 /nfs/dbraw/zinc/40/98/31/750409831.db2.gz FBOMTBXEFFQUBY-YUELXQCFSA-N 2 1 304.394 0.183 20 30 DCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046567402 751031744 /nfs/dbraw/zinc/03/17/44/751031744.db2.gz IOEIAFKVPUGMEK-WBVHZDCISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455554 751153044 /nfs/dbraw/zinc/15/30/44/751153044.db2.gz ZULYZTLQGWCUSS-MYPHYYIGSA-N 2 1 317.433 0.167 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077776283 752518502 /nfs/dbraw/zinc/51/85/02/752518502.db2.gz KNVRMAXWKIKTOD-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077776283 752518504 /nfs/dbraw/zinc/51/85/04/752518504.db2.gz KNVRMAXWKIKTOD-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776283 752518510 /nfs/dbraw/zinc/51/85/10/752518510.db2.gz KNVRMAXWKIKTOD-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776283 752518517 /nfs/dbraw/zinc/51/85/17/752518517.db2.gz KNVRMAXWKIKTOD-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001077777558 752520873 /nfs/dbraw/zinc/52/08/73/752520873.db2.gz QDXRNGKPJFTPQU-BZUAXINKSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212354657 752647451 /nfs/dbraw/zinc/64/74/51/752647451.db2.gz FWMZEYXCTGGHFX-MGPQQGTHSA-N 2 1 301.406 0.668 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212354657 752647457 /nfs/dbraw/zinc/64/74/57/752647457.db2.gz FWMZEYXCTGGHFX-MGPQQGTHSA-N 2 1 301.406 0.668 20 30 DCEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967463 753155258 /nfs/dbraw/zinc/15/52/58/753155258.db2.gz DOEMJVVACBTVLQ-JKSUJKDBSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967463 753155264 /nfs/dbraw/zinc/15/52/64/753155264.db2.gz DOEMJVVACBTVLQ-JKSUJKDBSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967463 753155268 /nfs/dbraw/zinc/15/52/68/753155268.db2.gz DOEMJVVACBTVLQ-JKSUJKDBSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444409 753196847 /nfs/dbraw/zinc/19/68/47/753196847.db2.gz MUXPEXFWYNGVMV-CVEARBPZSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1C ZINC001071890433 762204894 /nfs/dbraw/zinc/20/48/94/762204894.db2.gz MGUKSSVOIWANKU-HOCLYGCPSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1C ZINC001071890433 762204898 /nfs/dbraw/zinc/20/48/98/762204898.db2.gz MGUKSSVOIWANKU-HOCLYGCPSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035822 753439361 /nfs/dbraw/zinc/43/93/61/753439361.db2.gz ULAWPKOAYDNCQR-MRXNPFEDSA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046037881 753440466 /nfs/dbraw/zinc/44/04/66/753440466.db2.gz BDINGJIJVOGLMT-IAGOWNOFSA-N 2 1 320.481 0.568 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046074294 753465048 /nfs/dbraw/zinc/46/50/48/753465048.db2.gz XHSDTLKXVDTKKM-HNNXBMFYSA-N 2 1 317.437 0.747 20 30 DCEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326997 753646722 /nfs/dbraw/zinc/64/67/22/753646722.db2.gz ZFKGBFKLBIHJKD-MRXNPFEDSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326997 753646726 /nfs/dbraw/zinc/64/67/26/753646726.db2.gz ZFKGBFKLBIHJKD-MRXNPFEDSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047379883 754226818 /nfs/dbraw/zinc/22/68/18/754226818.db2.gz QYKSRJXOCOJKFW-HOTGVXAUSA-N 2 1 321.465 0.778 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219883 754570435 /nfs/dbraw/zinc/57/04/35/754570435.db2.gz MAUHVVZEAMHRMJ-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219883 754570437 /nfs/dbraw/zinc/57/04/37/754570437.db2.gz MAUHVVZEAMHRMJ-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001048537051 754797254 /nfs/dbraw/zinc/79/72/54/754797254.db2.gz HJQQTAASFPKWKK-NQNKBUKLSA-N 2 1 319.449 0.698 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001048537051 754797257 /nfs/dbraw/zinc/79/72/57/754797257.db2.gz HJQQTAASFPKWKK-NQNKBUKLSA-N 2 1 319.449 0.698 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001048537051 754797260 /nfs/dbraw/zinc/79/72/60/754797260.db2.gz HJQQTAASFPKWKK-NQNKBUKLSA-N 2 1 319.449 0.698 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048537051 754797263 /nfs/dbraw/zinc/79/72/63/754797263.db2.gz HJQQTAASFPKWKK-NQNKBUKLSA-N 2 1 319.449 0.698 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048537051 754797266 /nfs/dbraw/zinc/79/72/66/754797266.db2.gz HJQQTAASFPKWKK-NQNKBUKLSA-N 2 1 319.449 0.698 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108189426 755487358 /nfs/dbraw/zinc/48/73/58/755487358.db2.gz BKPOFPFXJOXOFN-WBVHZDCISA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108189426 755487361 /nfs/dbraw/zinc/48/73/61/755487361.db2.gz BKPOFPFXJOXOFN-WBVHZDCISA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054107613 756368791 /nfs/dbraw/zinc/36/87/91/756368791.db2.gz FAKAUTVQTDHPLJ-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054107613 756368796 /nfs/dbraw/zinc/36/87/96/756368796.db2.gz FAKAUTVQTDHPLJ-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054107613 756368806 /nfs/dbraw/zinc/36/88/06/756368806.db2.gz FAKAUTVQTDHPLJ-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054107613 756368808 /nfs/dbraw/zinc/36/88/08/756368808.db2.gz FAKAUTVQTDHPLJ-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081670424 756750456 /nfs/dbraw/zinc/75/04/56/756750456.db2.gz SDHQUGYKJWXYJD-ARFHVFGLSA-N 2 1 305.422 0.167 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796307 756788610 /nfs/dbraw/zinc/78/86/10/756788610.db2.gz OSSWYZDCZYLXJB-BZUAXINKSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796307 756788611 /nfs/dbraw/zinc/78/86/11/756788611.db2.gz OSSWYZDCZYLXJB-BZUAXINKSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796307 756788613 /nfs/dbraw/zinc/78/86/13/756788613.db2.gz OSSWYZDCZYLXJB-BZUAXINKSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796307 756788615 /nfs/dbraw/zinc/78/86/15/756788615.db2.gz OSSWYZDCZYLXJB-BZUAXINKSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)CC1 ZINC001050633350 757913256 /nfs/dbraw/zinc/91/32/56/757913256.db2.gz RJCRKHPIKZVKCV-MRXNPFEDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911279 758120643 /nfs/dbraw/zinc/12/06/43/758120643.db2.gz UXCVOCSRQVTJGC-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911279 758120648 /nfs/dbraw/zinc/12/06/48/758120648.db2.gz UXCVOCSRQVTJGC-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911279 758120652 /nfs/dbraw/zinc/12/06/52/758120652.db2.gz UXCVOCSRQVTJGC-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911279 758120655 /nfs/dbraw/zinc/12/06/55/758120655.db2.gz UXCVOCSRQVTJGC-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911279 758120657 /nfs/dbraw/zinc/12/06/57/758120657.db2.gz UXCVOCSRQVTJGC-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001098447094 762676234 /nfs/dbraw/zinc/67/62/34/762676234.db2.gz YTAGYZODNSFWSR-LVQVYYBASA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001098447094 762676235 /nfs/dbraw/zinc/67/62/35/762676235.db2.gz YTAGYZODNSFWSR-LVQVYYBASA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001098447094 762676237 /nfs/dbraw/zinc/67/62/37/762676237.db2.gz YTAGYZODNSFWSR-LVQVYYBASA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001098447094 762676239 /nfs/dbraw/zinc/67/62/39/762676239.db2.gz YTAGYZODNSFWSR-LVQVYYBASA-N 2 1 305.422 0.452 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098392249 759231933 /nfs/dbraw/zinc/23/19/33/759231933.db2.gz ODGZOAJMXUWVHJ-QGZVFWFLSA-N 2 1 321.465 0.635 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731769 759245543 /nfs/dbraw/zinc/24/55/43/759245543.db2.gz KFLHJRXJCUOJRR-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731769 759245549 /nfs/dbraw/zinc/24/55/49/759245549.db2.gz KFLHJRXJCUOJRR-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731769 759245553 /nfs/dbraw/zinc/24/55/53/759245553.db2.gz KFLHJRXJCUOJRR-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866982 759403831 /nfs/dbraw/zinc/40/38/31/759403831.db2.gz YDVSBOTYAOJXOE-HNNXBMFYSA-N 2 1 305.426 0.777 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866982 759403841 /nfs/dbraw/zinc/40/38/41/759403841.db2.gz YDVSBOTYAOJXOE-HNNXBMFYSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086197497 759834230 /nfs/dbraw/zinc/83/42/30/759834230.db2.gz KPZNGWAQZKCIOA-KFWWJZLASA-N 2 1 300.406 0.872 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086373072 760110120 /nfs/dbraw/zinc/11/01/20/760110120.db2.gz KCDLGSACGPBMPV-YHUYYLMFSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672617 761504445 /nfs/dbraw/zinc/50/44/45/761504445.db2.gz MZAMFLKERGGGFV-XGUBFFRZSA-N 2 1 322.453 0.350 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672617 761504448 /nfs/dbraw/zinc/50/44/48/761504448.db2.gz MZAMFLKERGGGFV-XGUBFFRZSA-N 2 1 322.453 0.350 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129404238 762936425 /nfs/dbraw/zinc/93/64/25/762936425.db2.gz OCXTZUWDBXVRCP-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129404238 762936434 /nfs/dbraw/zinc/93/64/34/762936434.db2.gz OCXTZUWDBXVRCP-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129404238 762936440 /nfs/dbraw/zinc/93/64/40/762936440.db2.gz OCXTZUWDBXVRCP-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129404238 762936446 /nfs/dbraw/zinc/93/64/46/762936446.db2.gz OCXTZUWDBXVRCP-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001129791142 763006057 /nfs/dbraw/zinc/00/60/57/763006057.db2.gz USHQOFVZBLRJSU-KBPBESRZSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001129791142 763006063 /nfs/dbraw/zinc/00/60/63/763006063.db2.gz USHQOFVZBLRJSU-KBPBESRZSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001129770115 763007391 /nfs/dbraw/zinc/00/73/91/763007391.db2.gz BBZNBHRTZGKQSP-KRWDZBQOSA-N 2 1 310.401 0.862 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC1CCC1 ZINC001129770641 763009135 /nfs/dbraw/zinc/00/91/35/763009135.db2.gz KIMYGZAOVDRNFJ-INIZCTEOSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC1CCC1 ZINC001129770641 763009139 /nfs/dbraw/zinc/00/91/39/763009139.db2.gz KIMYGZAOVDRNFJ-INIZCTEOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100896958 763845734 /nfs/dbraw/zinc/84/57/34/763845734.db2.gz SXXAISVIIIFKNS-UHFFFAOYSA-N 2 1 324.469 0.505 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477640 764083105 /nfs/dbraw/zinc/08/31/05/764083105.db2.gz CTIFIJMIJMDZBR-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001098477640 764083116 /nfs/dbraw/zinc/08/31/16/764083116.db2.gz CTIFIJMIJMDZBR-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001098477640 764083125 /nfs/dbraw/zinc/08/31/25/764083125.db2.gz CTIFIJMIJMDZBR-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266522 764344785 /nfs/dbraw/zinc/34/47/85/764344785.db2.gz XWKYEPVZALYRPB-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266522 764344787 /nfs/dbraw/zinc/34/47/87/764344787.db2.gz XWKYEPVZALYRPB-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266523 764345130 /nfs/dbraw/zinc/34/51/30/764345130.db2.gz XWKYEPVZALYRPB-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266523 764345141 /nfs/dbraw/zinc/34/51/41/764345141.db2.gz XWKYEPVZALYRPB-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001098478829 764361082 /nfs/dbraw/zinc/36/10/82/764361082.db2.gz FZUVKPMCRHEJKG-HNNXBMFYSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098478829 764361091 /nfs/dbraw/zinc/36/10/91/764361091.db2.gz FZUVKPMCRHEJKG-HNNXBMFYSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098478829 764361102 /nfs/dbraw/zinc/36/11/02/764361102.db2.gz FZUVKPMCRHEJKG-HNNXBMFYSA-N 2 1 307.438 0.389 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132426155 764453084 /nfs/dbraw/zinc/45/30/84/764453084.db2.gz SMIVBXSRYJIPSR-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132426155 764453088 /nfs/dbraw/zinc/45/30/88/764453088.db2.gz SMIVBXSRYJIPSR-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132743113 764620317 /nfs/dbraw/zinc/62/03/17/764620317.db2.gz UVTBAVRIJHPHGO-LSDHHAIUSA-N 2 1 324.469 0.505 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536991 765076263 /nfs/dbraw/zinc/07/62/63/765076263.db2.gz MGPNPEMMAJKOIA-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536991 765076271 /nfs/dbraw/zinc/07/62/71/765076271.db2.gz MGPNPEMMAJKOIA-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111984565 765445149 /nfs/dbraw/zinc/44/51/49/765445149.db2.gz CQSXSUQTGOOSLN-WMZOPIPTSA-N 2 1 319.449 0.703 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984565 765445162 /nfs/dbraw/zinc/44/51/62/765445162.db2.gz CQSXSUQTGOOSLN-WMZOPIPTSA-N 2 1 319.449 0.703 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144177 765606375 /nfs/dbraw/zinc/60/63/75/765606375.db2.gz RROLMXAHJBFFMW-QLPKVWCKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134768874 765662349 /nfs/dbraw/zinc/66/23/49/765662349.db2.gz GWSMTOWJHBRKEW-LSDHHAIUSA-N 2 1 324.469 0.646 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882175 766149949 /nfs/dbraw/zinc/14/99/49/766149949.db2.gz IOZIOUYAPYABQJ-ZIAGYGMSSA-N 2 1 312.458 0.503 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090693755 766484348 /nfs/dbraw/zinc/48/43/48/766484348.db2.gz VDRNSUKAYKYLQZ-SJORKVTESA-N 2 1 321.465 0.682 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107707 766545330 /nfs/dbraw/zinc/54/53/30/766545330.db2.gz SIQAUFNNSBGKFV-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C)C[C@H]2O)CC1 ZINC001090829480 766648266 /nfs/dbraw/zinc/64/82/66/766648266.db2.gz BTDBIKVFSXDSOS-HZPDHXFCSA-N 2 1 305.422 0.069 20 30 DCEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120879543 767288757 /nfs/dbraw/zinc/28/87/57/767288757.db2.gz WAPIMJNCGPONHK-LETWWHAPSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120879543 767288759 /nfs/dbraw/zinc/28/87/59/767288759.db2.gz WAPIMJNCGPONHK-LETWWHAPSA-N 2 1 307.438 0.910 20 30 DCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099880059 767481654 /nfs/dbraw/zinc/48/16/54/767481654.db2.gz URGORNUFDKUORS-JKSUJKDBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099880059 767481658 /nfs/dbraw/zinc/48/16/58/767481658.db2.gz URGORNUFDKUORS-JKSUJKDBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099880059 767481663 /nfs/dbraw/zinc/48/16/63/767481663.db2.gz URGORNUFDKUORS-JKSUJKDBSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC001121902828 767661560 /nfs/dbraw/zinc/66/15/60/767661560.db2.gz HEPJDAAQPWWUQP-UHFFFAOYSA-N 2 1 300.406 0.908 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582702 767786519 /nfs/dbraw/zinc/78/65/19/767786519.db2.gz CSBFONUABGUOTK-HZPDHXFCSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582702 767786521 /nfs/dbraw/zinc/78/65/21/767786521.db2.gz CSBFONUABGUOTK-HZPDHXFCSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582702 767786523 /nfs/dbraw/zinc/78/65/23/767786523.db2.gz CSBFONUABGUOTK-HZPDHXFCSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092909309 768414020 /nfs/dbraw/zinc/41/40/20/768414020.db2.gz HFHBFCLJKFJCAS-OAGGEKHMSA-N 2 1 309.454 0.966 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149849921 768883973 /nfs/dbraw/zinc/88/39/73/768883973.db2.gz XTHUMTBPZBNICU-CVEARBPZSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)CN1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338579 768997842 /nfs/dbraw/zinc/99/78/42/768997842.db2.gz LQVLIUNKIBSJFD-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150192309 769034395 /nfs/dbraw/zinc/03/43/95/769034395.db2.gz CVSBZCXABCABEU-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384621 769041670 /nfs/dbraw/zinc/04/16/70/769041670.db2.gz BLVXTWAADSCPRZ-BFYDXBDKSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384621 769041681 /nfs/dbraw/zinc/04/16/81/769041681.db2.gz BLVXTWAADSCPRZ-BFYDXBDKSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384621 769041692 /nfs/dbraw/zinc/04/16/92/769041692.db2.gz BLVXTWAADSCPRZ-BFYDXBDKSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384621 769041703 /nfs/dbraw/zinc/04/17/03/769041703.db2.gz BLVXTWAADSCPRZ-BFYDXBDKSA-N 2 1 305.422 0.311 20 30 DCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCN2CCOCC2)C1 ZINC001150453433 769100257 /nfs/dbraw/zinc/10/02/57/769100257.db2.gz TYNZZCWHHGLMBS-HNNXBMFYSA-N 2 1 311.426 0.102 20 30 DCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150453433 769100268 /nfs/dbraw/zinc/10/02/68/769100268.db2.gz TYNZZCWHHGLMBS-HNNXBMFYSA-N 2 1 311.426 0.102 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588629 769133143 /nfs/dbraw/zinc/13/31/43/769133143.db2.gz PZQNNGHFOKAJFX-HNNXBMFYSA-N 2 1 313.442 0.348 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606961 769137884 /nfs/dbraw/zinc/13/78/84/769137884.db2.gz MRHGXRJGLIUWII-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073221 769253397 /nfs/dbraw/zinc/25/33/97/769253397.db2.gz GRLHSFWSJNLBLF-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033509 770049353 /nfs/dbraw/zinc/04/93/53/770049353.db2.gz BHIHTVRFEZPSRO-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033509 770049363 /nfs/dbraw/zinc/04/93/63/770049363.db2.gz BHIHTVRFEZPSRO-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033509 770049374 /nfs/dbraw/zinc/04/93/74/770049374.db2.gz BHIHTVRFEZPSRO-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033509 770049385 /nfs/dbraw/zinc/04/93/85/770049385.db2.gz BHIHTVRFEZPSRO-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)CC[NH3+])CC2)cc1 ZINC001238377910 770114157 /nfs/dbraw/zinc/11/41/57/770114157.db2.gz DCDATTCEVINIAX-UHFFFAOYSA-N 2 1 322.434 0.401 20 30 DCEDMP N#Cc1c[nH]c2ncnc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c12 ZINC001155363513 770477054 /nfs/dbraw/zinc/47/70/54/770477054.db2.gz NFXZGSSHFALPLU-CYBMUJFWSA-N 2 1 311.393 0.689 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O ZINC001178722735 770832905 /nfs/dbraw/zinc/83/29/05/770832905.db2.gz OKYNWZDKSQJULA-GJZGRUSLSA-N 2 1 322.453 0.224 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O ZINC001178722735 770832916 /nfs/dbraw/zinc/83/29/16/770832916.db2.gz OKYNWZDKSQJULA-GJZGRUSLSA-N 2 1 322.453 0.224 20 30 DCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001179080583 770945061 /nfs/dbraw/zinc/94/50/61/770945061.db2.gz FKBFKTYQHIHMEP-UPTPFMHGSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183465139 771652608 /nfs/dbraw/zinc/65/26/08/771652608.db2.gz MYSHTVZSHQGBKZ-BFYDXBDKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183465139 771652612 /nfs/dbraw/zinc/65/26/12/771652612.db2.gz MYSHTVZSHQGBKZ-BFYDXBDKSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183464541 771652766 /nfs/dbraw/zinc/65/27/66/771652766.db2.gz DADSFRVKFXMYGU-BFYDXBDKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183464541 771652770 /nfs/dbraw/zinc/65/27/70/771652770.db2.gz DADSFRVKFXMYGU-BFYDXBDKSA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183465033 771652810 /nfs/dbraw/zinc/65/28/10/771652810.db2.gz KLWCOPRMXPKVOH-SOLBZPMBSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183465033 771652814 /nfs/dbraw/zinc/65/28/14/771652814.db2.gz KLWCOPRMXPKVOH-SOLBZPMBSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001183834237 771706534 /nfs/dbraw/zinc/70/65/34/771706534.db2.gz CPRGLZJVKCXQTA-CYBMUJFWSA-N 2 1 322.409 0.743 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)C1=O ZINC001186824926 772096146 /nfs/dbraw/zinc/09/61/46/772096146.db2.gz RBCRABUZMOJNDR-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160862272 772127279 /nfs/dbraw/zinc/12/72/79/772127279.db2.gz KRVZFMRQDDGAGD-CABCVRRESA-N 2 1 322.453 0.401 20 30 DCEDMP C[NH+]1CCC(C#N)(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001162231258 772345342 /nfs/dbraw/zinc/34/53/42/772345342.db2.gz OPDVRMIWXPRKHD-UHFFFAOYSA-N 2 1 317.353 0.471 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162275556 772350975 /nfs/dbraw/zinc/35/09/75/772350975.db2.gz XSRBISPHXVEZFE-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190655186 772658822 /nfs/dbraw/zinc/65/88/22/772658822.db2.gz ONONMHMGAUMYDP-HOTGVXAUSA-N 2 1 307.438 0.509 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203649993 772918031 /nfs/dbraw/zinc/91/80/31/772918031.db2.gz DZZRJVJHYXGNAM-CVEARBPZSA-N 2 1 321.465 0.995 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203649996 772918428 /nfs/dbraw/zinc/91/84/28/772918428.db2.gz DZZRJVJHYXGNAM-HOTGVXAUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001205457465 772993802 /nfs/dbraw/zinc/99/38/02/772993802.db2.gz ADUUDJXDNHMDTR-MRXNPFEDSA-N 2 1 317.437 0.275 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001205479749 772994954 /nfs/dbraw/zinc/99/49/54/772994954.db2.gz WEBVUVLIJWCNHJ-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001205479749 772994955 /nfs/dbraw/zinc/99/49/55/772994955.db2.gz WEBVUVLIJWCNHJ-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001206031795 773041275 /nfs/dbraw/zinc/04/12/75/773041275.db2.gz WYYSCVLWUOHAPQ-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001206031795 773041277 /nfs/dbraw/zinc/04/12/77/773041277.db2.gz WYYSCVLWUOHAPQ-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041316 773143679 /nfs/dbraw/zinc/14/36/79/773143679.db2.gz XDHVCFBXEDLOKB-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208424013 773457787 /nfs/dbraw/zinc/45/77/87/773457787.db2.gz SLGIOUYAZAVOFR-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208434837 773460933 /nfs/dbraw/zinc/46/09/33/773460933.db2.gz DOPPZDQJABIMHR-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208434837 773460937 /nfs/dbraw/zinc/46/09/37/773460937.db2.gz DOPPZDQJABIMHR-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209641310 773628554 /nfs/dbraw/zinc/62/85/54/773628554.db2.gz IJJSNXNYKGYSFR-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284270 773790140 /nfs/dbraw/zinc/79/01/40/773790140.db2.gz KGYUPLGFOSOKLY-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097780 773854004 /nfs/dbraw/zinc/85/40/04/773854004.db2.gz HGSQXQMJXHEIIK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097780 773854005 /nfs/dbraw/zinc/85/40/05/773854005.db2.gz HGSQXQMJXHEIIK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097780 773854008 /nfs/dbraw/zinc/85/40/08/773854008.db2.gz HGSQXQMJXHEIIK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198097780 773854011 /nfs/dbraw/zinc/85/40/11/773854011.db2.gz HGSQXQMJXHEIIK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097780 773854012 /nfs/dbraw/zinc/85/40/12/773854012.db2.gz HGSQXQMJXHEIIK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199097074 774029014 /nfs/dbraw/zinc/02/90/14/774029014.db2.gz VNRFWWGCTLFHKM-BRWVUGGUSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199097074 774029016 /nfs/dbraw/zinc/02/90/16/774029016.db2.gz VNRFWWGCTLFHKM-BRWVUGGUSA-N 2 1 321.465 0.682 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540620 774081641 /nfs/dbraw/zinc/08/16/41/774081641.db2.gz OFGKSRGOCGOYJF-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CCCO1 ZINC001200687647 774389980 /nfs/dbraw/zinc/38/99/80/774389980.db2.gz DVWYJWSPQQRRSY-HUUCEWRRSA-N 2 1 316.405 0.601 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCO1 ZINC001200687959 774390597 /nfs/dbraw/zinc/39/05/97/774390597.db2.gz IMWSCDUSYZJRNC-IRXDYDNUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001201094105 774446174 /nfs/dbraw/zinc/44/61/74/774446174.db2.gz NTXCNJPOCBOFCK-KRWDZBQOSA-N 2 1 317.433 0.314 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001201094105 774446175 /nfs/dbraw/zinc/44/61/75/774446175.db2.gz NTXCNJPOCBOFCK-KRWDZBQOSA-N 2 1 317.433 0.314 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201402312 774500938 /nfs/dbraw/zinc/50/09/38/774500938.db2.gz CHFAIFYBUGYSJP-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057612 774683540 /nfs/dbraw/zinc/68/35/40/774683540.db2.gz DQBXIXHUFHETCQ-IKGGRYGDSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001202495616 774721285 /nfs/dbraw/zinc/72/12/85/774721285.db2.gz GVPQOZGUDLWEME-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405317 774841687 /nfs/dbraw/zinc/84/16/87/774841687.db2.gz QLAZNUWXQYNZPS-XUWVNRHRSA-N 2 1 317.437 0.436 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405317 774841691 /nfs/dbraw/zinc/84/16/91/774841691.db2.gz QLAZNUWXQYNZPS-XUWVNRHRSA-N 2 1 317.437 0.436 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001114451915 774876034 /nfs/dbraw/zinc/87/60/34/774876034.db2.gz AHNMMXZXJSXWBK-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001114451915 774876040 /nfs/dbraw/zinc/87/60/40/774876040.db2.gz AHNMMXZXJSXWBK-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114451915 774876049 /nfs/dbraw/zinc/87/60/49/774876049.db2.gz AHNMMXZXJSXWBK-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114451915 774876056 /nfs/dbraw/zinc/87/60/56/774876056.db2.gz AHNMMXZXJSXWBK-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220868231 774940048 /nfs/dbraw/zinc/94/00/48/774940048.db2.gz FFGRVIHYPAZFME-ULQDDVLXSA-N 2 1 320.481 0.827 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013446 775245631 /nfs/dbraw/zinc/24/56/31/775245631.db2.gz DULWFKDUOMXOPG-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013446 775245637 /nfs/dbraw/zinc/24/56/37/775245637.db2.gz DULWFKDUOMXOPG-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013446 775245644 /nfs/dbraw/zinc/24/56/44/775245644.db2.gz DULWFKDUOMXOPG-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCN(CC[N@H+]1CCNC2(CC[NH2+]CC2)C1)C(=O)OCC ZINC001222086437 775265700 /nfs/dbraw/zinc/26/57/00/775265700.db2.gz XNAOYPIRSXHRLH-UHFFFAOYSA-N 2 1 310.442 0.658 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281306 775704019 /nfs/dbraw/zinc/70/40/19/775704019.db2.gz MEQQFCRKCUKHEG-OAGGEKHMSA-N 2 1 317.433 0.454 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281306 775704025 /nfs/dbraw/zinc/70/40/25/775704025.db2.gz MEQQFCRKCUKHEG-OAGGEKHMSA-N 2 1 317.433 0.454 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518602 775894151 /nfs/dbraw/zinc/89/41/51/775894151.db2.gz LIIUVGHWIWWWIY-ZSHCYNCHSA-N 2 1 317.433 0.311 20 30 DCEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227797565 776007290 /nfs/dbraw/zinc/00/72/90/776007290.db2.gz JUGOVNWMMCNGIU-MRXNPFEDSA-N 2 1 319.453 0.970 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001229185328 776166668 /nfs/dbraw/zinc/16/66/68/776166668.db2.gz LIOKNMWNUWOJDI-CQSZACIVSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001229185328 776166672 /nfs/dbraw/zinc/16/66/72/776166672.db2.gz LIOKNMWNUWOJDI-CQSZACIVSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114832520 776203028 /nfs/dbraw/zinc/20/30/28/776203028.db2.gz SNXDGWNVTPIUIG-LJIGWXMPSA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001114832520 776203036 /nfs/dbraw/zinc/20/30/36/776203036.db2.gz SNXDGWNVTPIUIG-LJIGWXMPSA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001114832520 776203040 /nfs/dbraw/zinc/20/30/40/776203040.db2.gz SNXDGWNVTPIUIG-LJIGWXMPSA-N 2 1 305.422 0.024 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404367 777256684 /nfs/dbraw/zinc/25/66/84/777256684.db2.gz SSUREJPKGZUJHR-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404367 777256692 /nfs/dbraw/zinc/25/66/92/777256692.db2.gz SSUREJPKGZUJHR-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404367 777256700 /nfs/dbraw/zinc/25/67/00/777256700.db2.gz SSUREJPKGZUJHR-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404367 777256707 /nfs/dbraw/zinc/25/67/07/777256707.db2.gz SSUREJPKGZUJHR-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1 ZINC001278094608 945134077 /nfs/dbraw/zinc/13/40/77/945134077.db2.gz YFBBCFFXJYBOHG-SJORKVTESA-N 2 1 315.417 0.351 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1 ZINC001278094608 945134082 /nfs/dbraw/zinc/13/40/82/945134082.db2.gz YFBBCFFXJYBOHG-SJORKVTESA-N 2 1 315.417 0.351 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001266290258 939053031 /nfs/dbraw/zinc/05/30/31/939053031.db2.gz SPCZYOLZEJEXGB-INIZCTEOSA-N 2 1 308.470 0.781 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266326707 939076339 /nfs/dbraw/zinc/07/63/39/939076339.db2.gz IKWSZPDGITXTHR-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266326707 939076344 /nfs/dbraw/zinc/07/63/44/939076344.db2.gz IKWSZPDGITXTHR-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266326707 939076347 /nfs/dbraw/zinc/07/63/47/939076347.db2.gz IKWSZPDGITXTHR-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266326707 939076352 /nfs/dbraw/zinc/07/63/52/939076352.db2.gz IKWSZPDGITXTHR-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001279454161 939177239 /nfs/dbraw/zinc/17/72/39/939177239.db2.gz XGUHTABQTQECHT-IYBDPMFKSA-N 2 1 320.481 0.663 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccon2)CC1 ZINC001266994304 939301335 /nfs/dbraw/zinc/30/13/35/939301335.db2.gz KYVULLTXKKDAHE-ZDUSSCGKSA-N 2 1 304.394 0.614 20 30 DCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267001220 939303569 /nfs/dbraw/zinc/30/35/69/939303569.db2.gz LLGMBCNRHUXXDZ-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267044527 939322006 /nfs/dbraw/zinc/32/20/06/939322006.db2.gz JLJOEKSOEVNLCS-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267071279 939331043 /nfs/dbraw/zinc/33/10/43/939331043.db2.gz UEZCJZRKRQOKBZ-GJZGRUSLSA-N 2 1 324.469 0.455 20 30 DCEDMP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267071122 939331192 /nfs/dbraw/zinc/33/11/92/939331192.db2.gz DQPFVCUSUUCRQO-LLVKDONJSA-N 2 1 304.232 0.895 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267225986 939395014 /nfs/dbraw/zinc/39/50/14/939395014.db2.gz JPLPBLSYQOTLFI-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267225986 939395017 /nfs/dbraw/zinc/39/50/17/939395017.db2.gz JPLPBLSYQOTLFI-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267225986 939395018 /nfs/dbraw/zinc/39/50/18/939395018.db2.gz JPLPBLSYQOTLFI-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267225986 939395021 /nfs/dbraw/zinc/39/50/21/939395021.db2.gz JPLPBLSYQOTLFI-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccon2)CC1 ZINC001267475322 939470678 /nfs/dbraw/zinc/47/06/78/939470678.db2.gz ZUKJQYGJFJMKSO-UHFFFAOYSA-N 2 1 304.394 0.568 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001481069878 939547273 /nfs/dbraw/zinc/54/72/73/939547273.db2.gz CGENZOIDJPEXQZ-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCOCC1 ZINC001267805084 939685873 /nfs/dbraw/zinc/68/58/73/939685873.db2.gz DJNIMOGJUXHKJD-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCOCC1 ZINC001267805084 939685875 /nfs/dbraw/zinc/68/58/75/939685875.db2.gz DJNIMOGJUXHKJD-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001481971319 940198359 /nfs/dbraw/zinc/19/83/59/940198359.db2.gz FVHMUYKTXNQWMQ-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001481971319 940198361 /nfs/dbraw/zinc/19/83/61/940198361.db2.gz FVHMUYKTXNQWMQ-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccnc1 ZINC001268553815 940231581 /nfs/dbraw/zinc/23/15/81/940231581.db2.gz YGUWYRKGNQOTJB-LIMHQNJXSA-N 2 1 312.417 0.941 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccnc1 ZINC001268553815 940231585 /nfs/dbraw/zinc/23/15/85/940231585.db2.gz YGUWYRKGNQOTJB-LIMHQNJXSA-N 2 1 312.417 0.941 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001482404522 941211447 /nfs/dbraw/zinc/21/14/47/941211447.db2.gz OSDUCXZFMXHIGS-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001482404522 941211450 /nfs/dbraw/zinc/21/14/50/941211450.db2.gz OSDUCXZFMXHIGS-SJORKVTESA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001482531596 941460228 /nfs/dbraw/zinc/46/02/28/941460228.db2.gz AZUOTWFLBVAPJC-INIZCTEOSA-N 2 1 309.454 0.851 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271957922 941491554 /nfs/dbraw/zinc/49/15/54/941491554.db2.gz KNIBWFIWQZAAMA-WMZOPIPTSA-N 2 1 321.465 0.847 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591240 942008187 /nfs/dbraw/zinc/00/81/87/942008187.db2.gz UDZPIQLUZGZPOI-CVEARBPZSA-N 2 1 314.389 0.994 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591240 942008191 /nfs/dbraw/zinc/00/81/91/942008191.db2.gz UDZPIQLUZGZPOI-CVEARBPZSA-N 2 1 314.389 0.994 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484042959 943113470 /nfs/dbraw/zinc/11/34/70/943113470.db2.gz CXDIANDTNWXJRG-WMZOPIPTSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484121987 943156507 /nfs/dbraw/zinc/15/65/07/943156507.db2.gz NGUYOXVEAYDSTB-SJLPKXTDSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001484564957 943453960 /nfs/dbraw/zinc/45/39/60/943453960.db2.gz GVAFWIKCFFPJSL-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001484564957 943453964 /nfs/dbraw/zinc/45/39/64/943453964.db2.gz GVAFWIKCFFPJSL-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001485400380 943921776 /nfs/dbraw/zinc/92/17/76/943921776.db2.gz DVCCJODLJJVROO-LSDHHAIUSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001485400380 943921777 /nfs/dbraw/zinc/92/17/77/943921777.db2.gz DVCCJODLJJVROO-LSDHHAIUSA-N 2 1 309.454 0.988 20 30 DCEDMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(C#N)cc1 ZINC001491420393 943984235 /nfs/dbraw/zinc/98/42/35/943984235.db2.gz JKMVSUGSSPCBRB-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(C#N)cc1 ZINC001491420393 943984240 /nfs/dbraw/zinc/98/42/40/943984240.db2.gz JKMVSUGSSPCBRB-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCC=C)C1 ZINC001281138050 944211462 /nfs/dbraw/zinc/21/14/62/944211462.db2.gz OUGBKXVXGNJZCF-FUHWJXTLSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCC=C)C1 ZINC001281138050 944211470 /nfs/dbraw/zinc/21/14/70/944211470.db2.gz OUGBKXVXGNJZCF-FUHWJXTLSA-N 2 1 319.449 0.603 20 30 DCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001486047107 944505060 /nfs/dbraw/zinc/50/50/60/944505060.db2.gz DPEXKOGTBVSPTN-AWEZNQCLSA-N 2 1 315.377 0.524 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(CC#N)CC2)CC[N@@H+]1C ZINC001316957634 944683839 /nfs/dbraw/zinc/68/38/39/944683839.db2.gz FFYJLYZAWLZDLA-JKSUJKDBSA-N 2 1 321.469 0.364 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(CC#N)CC2)CC[N@H+]1C ZINC001316957634 944683850 /nfs/dbraw/zinc/68/38/50/944683850.db2.gz FFYJLYZAWLZDLA-JKSUJKDBSA-N 2 1 321.469 0.364 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986845 944716144 /nfs/dbraw/zinc/71/61/44/944716144.db2.gz ORIYYSVWNJKEQB-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316986845 944716153 /nfs/dbraw/zinc/71/61/53/944716153.db2.gz ORIYYSVWNJKEQB-HNNXBMFYSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOC1CCC1 ZINC001317251520 944879767 /nfs/dbraw/zinc/87/97/67/944879767.db2.gz CIMUWGGBSPSJPM-HOCLYGCPSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOC1CCC1 ZINC001317251520 944879771 /nfs/dbraw/zinc/87/97/71/944879771.db2.gz CIMUWGGBSPSJPM-HOCLYGCPSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317521366 945018204 /nfs/dbraw/zinc/01/82/04/945018204.db2.gz CJWJPJHOOCYBTO-DOTOQJQBSA-N 2 1 319.449 0.416 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001318985013 945474637 /nfs/dbraw/zinc/47/46/37/945474637.db2.gz ZNZVZQYOPBVGMP-KKUMJFAQSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCN1CC[N@@H+](C)C2(CCN([C@@H]3CC[C@H](C)[NH2+]C3)CC2)C1=O ZINC001246737021 945478476 /nfs/dbraw/zinc/47/84/76/945478476.db2.gz CPUVWEUFDSJZMN-JKSUJKDBSA-N 2 1 320.481 0.922 20 30 DCEDMP C=CCN1CC[N@H+](C)C2(CCN([C@@H]3CC[C@H](C)[NH2+]C3)CC2)C1=O ZINC001246737021 945478480 /nfs/dbraw/zinc/47/84/80/945478480.db2.gz CPUVWEUFDSJZMN-JKSUJKDBSA-N 2 1 320.481 0.922 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC#Cc2ccccc2)C1 ZINC001320313795 945817018 /nfs/dbraw/zinc/81/70/18/945817018.db2.gz NPDJRVGIMXJLHP-DLBZAZTESA-N 2 1 315.417 0.057 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278777355 946362970 /nfs/dbraw/zinc/36/29/70/946362970.db2.gz YRNBONUBCHVTQP-DOTOQJQBSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278777355 946362981 /nfs/dbraw/zinc/36/29/81/946362981.db2.gz YRNBONUBCHVTQP-DOTOQJQBSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001278777355 946362991 /nfs/dbraw/zinc/36/29/91/946362991.db2.gz YRNBONUBCHVTQP-DOTOQJQBSA-N 2 1 307.438 0.436 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238356 946622773 /nfs/dbraw/zinc/62/27/73/946622773.db2.gz UFGXIYHILYEJOA-KGLIPLIRSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238356 946622779 /nfs/dbraw/zinc/62/27/79/946622779.db2.gz UFGXIYHILYEJOA-KGLIPLIRSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001324559142 947456922 /nfs/dbraw/zinc/45/69/22/947456922.db2.gz BFFYHPDVGRBDFR-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001324559142 947456930 /nfs/dbraw/zinc/45/69/30/947456930.db2.gz BFFYHPDVGRBDFR-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001324559142 947456937 /nfs/dbraw/zinc/45/69/37/947456937.db2.gz BFFYHPDVGRBDFR-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001273496062 947926538 /nfs/dbraw/zinc/92/65/38/947926538.db2.gz SDYLAPOJQBAHNA-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273496062 947926541 /nfs/dbraw/zinc/92/65/41/947926541.db2.gz SDYLAPOJQBAHNA-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273496062 947926542 /nfs/dbraw/zinc/92/65/42/947926542.db2.gz SDYLAPOJQBAHNA-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001325835622 947944295 /nfs/dbraw/zinc/94/42/95/947944295.db2.gz OBICZFYNTWSWGX-LZLYRXPVSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001325835622 947944303 /nfs/dbraw/zinc/94/43/03/947944303.db2.gz OBICZFYNTWSWGX-LZLYRXPVSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001325835622 947944311 /nfs/dbraw/zinc/94/43/11/947944311.db2.gz OBICZFYNTWSWGX-LZLYRXPVSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001273937761 948692105 /nfs/dbraw/zinc/69/21/05/948692105.db2.gz XIAARDQNHXZTJC-INIZCTEOSA-N 2 1 304.394 0.158 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001328172914 948731882 /nfs/dbraw/zinc/73/18/82/948731882.db2.gz WWHKYINKRXXTLS-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001328530446 948945671 /nfs/dbraw/zinc/94/56/71/948945671.db2.gz ZDDPYWSILHIPJA-MRXNPFEDSA-N 2 1 321.465 0.827 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001264391240 948953533 /nfs/dbraw/zinc/95/35/33/948953533.db2.gz QBYLCQYUNJRJKI-IXDOHACOSA-N 2 1 321.465 0.993 20 30 DCEDMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001489097688 949484120 /nfs/dbraw/zinc/48/41/20/949484120.db2.gz GRPGYOFUCZZDAU-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001489097688 949484135 /nfs/dbraw/zinc/48/41/35/949484135.db2.gz GRPGYOFUCZZDAU-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001489202569 949593497 /nfs/dbraw/zinc/59/34/97/949593497.db2.gz KHPFYBPIEIRLSI-CVEARBPZSA-N 2 1 309.454 0.921 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265655652 949857219 /nfs/dbraw/zinc/85/72/19/949857219.db2.gz MKUQEUPXYQKVRD-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265655652 949857235 /nfs/dbraw/zinc/85/72/35/949857235.db2.gz MKUQEUPXYQKVRD-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001265655652 949857253 /nfs/dbraw/zinc/85/72/53/949857253.db2.gz MKUQEUPXYQKVRD-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265655652 949857266 /nfs/dbraw/zinc/85/72/66/949857266.db2.gz MKUQEUPXYQKVRD-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC#CCOC ZINC001266148878 950419524 /nfs/dbraw/zinc/41/95/24/950419524.db2.gz JWNNLKTVVSUDPG-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490280512 950498143 /nfs/dbraw/zinc/49/81/43/950498143.db2.gz ZYQKHSOOZYMXEZ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001490280512 950498151 /nfs/dbraw/zinc/49/81/51/950498151.db2.gz ZYQKHSOOZYMXEZ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001490280512 950498158 /nfs/dbraw/zinc/49/81/58/950498158.db2.gz ZYQKHSOOZYMXEZ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001279517684 950608154 /nfs/dbraw/zinc/60/81/54/950608154.db2.gz ADGOJYIGBFLHAL-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001279517684 950608163 /nfs/dbraw/zinc/60/81/63/950608163.db2.gz ADGOJYIGBFLHAL-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001490500454 950752492 /nfs/dbraw/zinc/75/24/92/950752492.db2.gz FCIXMHIFSAIQEJ-HOTGVXAUSA-N 2 1 306.454 0.084 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001490500454 950752512 /nfs/dbraw/zinc/75/25/12/950752512.db2.gz FCIXMHIFSAIQEJ-HOTGVXAUSA-N 2 1 306.454 0.084 20 30 DCEDMP C=C(Cl)C[N@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001331161243 950977089 /nfs/dbraw/zinc/97/70/89/950977089.db2.gz NNYHSXRVYXKIDS-CYBMUJFWSA-N 2 1 303.834 0.755 20 30 DCEDMP C=C(Cl)C[N@@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001331161243 950977105 /nfs/dbraw/zinc/97/71/05/950977105.db2.gz NNYHSXRVYXKIDS-CYBMUJFWSA-N 2 1 303.834 0.755 20 30 DCEDMP C=C(Cl)C[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331161243 950977122 /nfs/dbraw/zinc/97/71/22/950977122.db2.gz NNYHSXRVYXKIDS-CYBMUJFWSA-N 2 1 303.834 0.755 20 30 DCEDMP C=C(Cl)C[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331161243 950977128 /nfs/dbraw/zinc/97/71/28/950977128.db2.gz NNYHSXRVYXKIDS-CYBMUJFWSA-N 2 1 303.834 0.755 20 30 DCEDMP C#CCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335508864 952548518 /nfs/dbraw/zinc/54/85/18/952548518.db2.gz ITWOHDJVSUSEMG-IYBDPMFKSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001282193430 953519695 /nfs/dbraw/zinc/51/96/95/953519695.db2.gz QQPXTMTYAYTRTD-UONOGXRCSA-N 2 1 324.469 0.197 20 30 DCEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001282573666 953627176 /nfs/dbraw/zinc/62/71/76/953627176.db2.gz QXEHSQBIWTXJTA-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001282573666 953627184 /nfs/dbraw/zinc/62/71/84/953627184.db2.gz QXEHSQBIWTXJTA-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282678548 953646005 /nfs/dbraw/zinc/64/60/05/953646005.db2.gz VPRLTHSHLCEIJP-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282678548 953646012 /nfs/dbraw/zinc/64/60/12/953646012.db2.gz VPRLTHSHLCEIJP-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001282678548 953646018 /nfs/dbraw/zinc/64/60/18/953646018.db2.gz VPRLTHSHLCEIJP-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001283998175 954761561 /nfs/dbraw/zinc/76/15/61/954761561.db2.gz GSBVKAAOECRTDE-GXTWGEPZSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001283998800 954763337 /nfs/dbraw/zinc/76/33/37/954763337.db2.gz JCRRFQISWYQSQT-UKRRQHHQSA-N 2 1 306.410 0.973 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001284248317 954959270 /nfs/dbraw/zinc/95/92/70/954959270.db2.gz TWHBMTHCPWCUAT-HZPDHXFCSA-N 2 1 318.421 0.716 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001354506944 956410470 /nfs/dbraw/zinc/41/04/70/956410470.db2.gz AQUPKTMQANPWHI-KFWWJZLASA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001354506944 956410476 /nfs/dbraw/zinc/41/04/76/956410476.db2.gz AQUPKTMQANPWHI-KFWWJZLASA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001357417641 957272535 /nfs/dbraw/zinc/27/25/35/957272535.db2.gz LCKAVEMAGHUYAW-GHMZBOCLSA-N 2 1 306.332 0.473 20 30 DCEDMP C#CC[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001357838431 957389383 /nfs/dbraw/zinc/38/93/83/957389383.db2.gz YRGFRTVGPQEILY-MRXNPFEDSA-N 2 1 301.390 0.092 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491963517 959453753 /nfs/dbraw/zinc/45/37/53/959453753.db2.gz OGUJCPZWHYVZQW-OAHLLOKOSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491963517 959453759 /nfs/dbraw/zinc/45/37/59/959453759.db2.gz OGUJCPZWHYVZQW-OAHLLOKOSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492257390 959762893 /nfs/dbraw/zinc/76/28/93/959762893.db2.gz OGYIUZZGHQMUMF-ZFWWWQNUSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492257390 959762900 /nfs/dbraw/zinc/76/29/00/959762900.db2.gz OGYIUZZGHQMUMF-ZFWWWQNUSA-N 2 1 322.453 0.067 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001316749196 960363217 /nfs/dbraw/zinc/36/32/17/960363217.db2.gz SQFHBXKDVUHYEL-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001316749196 960363227 /nfs/dbraw/zinc/36/32/27/960363227.db2.gz SQFHBXKDVUHYEL-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316749196 960363243 /nfs/dbraw/zinc/36/32/43/960363243.db2.gz SQFHBXKDVUHYEL-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379469963 962997738 /nfs/dbraw/zinc/99/77/38/962997738.db2.gz QDZVYYKIEQHMDB-HNNXBMFYSA-N 2 1 304.394 0.077 20 30 DCEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001382267987 967142735 /nfs/dbraw/zinc/14/27/35/967142735.db2.gz MQRUAIPZHGYFMG-WDEREUQCSA-N 2 1 322.247 0.302 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001394757499 994111263 /nfs/dbraw/zinc/11/12/63/994111263.db2.gz WFZNITWROAKCSS-GFCCVEGCSA-N 2 1 300.790 0.353 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001502591623 1015986697 /nfs/dbraw/zinc/98/66/97/1015986697.db2.gz CRYQJARQUWJZMK-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001507163225 1016043577 /nfs/dbraw/zinc/04/35/77/1016043577.db2.gz TWLMONQCFVPHJB-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001401153684 1000233171 /nfs/dbraw/zinc/23/31/71/1000233171.db2.gz VTARKWNYPVWNRL-DGCLKSJQSA-N 2 1 303.834 0.802 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001401153684 1000233179 /nfs/dbraw/zinc/23/31/79/1000233179.db2.gz VTARKWNYPVWNRL-DGCLKSJQSA-N 2 1 303.834 0.802 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001507507900 1016433603 /nfs/dbraw/zinc/43/36/03/1016433603.db2.gz WFKRIEQXEIVFAS-HOTGVXAUSA-N 2 1 309.454 0.682 20 30 DCEDMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC#CC[NH+](C)C)C[C@@H]1C ZINC001471631539 1016611665 /nfs/dbraw/zinc/61/16/65/1016611665.db2.gz ZNEVLNFKZZYCSF-GASCZTMLSA-N 2 1 310.442 0.302 20 30 DCEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001425833910 1003163274 /nfs/dbraw/zinc/16/32/74/1003163274.db2.gz FMIJZHWYBYMDCK-NSHDSACASA-N 2 1 320.231 0.058 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001445983299 1012480962 /nfs/dbraw/zinc/48/09/62/1012480962.db2.gz CJUIHLIMOZEZDL-KGLIPLIRSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001445983299 1012480972 /nfs/dbraw/zinc/48/09/72/1012480972.db2.gz CJUIHLIMOZEZDL-KGLIPLIRSA-N 2 1 315.845 0.944 20 30 DCEDMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC001460874120 1012981967 /nfs/dbraw/zinc/98/19/67/1012981967.db2.gz PSESJOYADCVYFT-OAGGEKHMSA-N 2 1 307.438 0.941 20 30 DCEDMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC001460874120 1012981977 /nfs/dbraw/zinc/98/19/77/1012981977.db2.gz PSESJOYADCVYFT-OAGGEKHMSA-N 2 1 307.438 0.941 20 30 DCEDMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC001460874120 1012981985 /nfs/dbraw/zinc/98/19/85/1012981985.db2.gz PSESJOYADCVYFT-OAGGEKHMSA-N 2 1 307.438 0.941 20 30 DCEDMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC001460874120 1012982000 /nfs/dbraw/zinc/98/20/00/1012982000.db2.gz PSESJOYADCVYFT-OAGGEKHMSA-N 2 1 307.438 0.941 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001506822057 1017585627 /nfs/dbraw/zinc/58/56/27/1017585627.db2.gz SXYOIRLBJIGOEX-OSYLJGHBSA-N 2 1 319.449 0.415 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001499351390 1017880310 /nfs/dbraw/zinc/88/03/10/1017880310.db2.gz AFWNUJQADDCIIC-UHFFFAOYSA-N 2 1 302.378 0.756 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001497393605 1018107096 /nfs/dbraw/zinc/10/70/96/1018107096.db2.gz JESKBCCUQUUQLI-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001480290190 1018404695 /nfs/dbraw/zinc/40/46/95/1018404695.db2.gz OKHWTRBBAAHGDR-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]CC#CCOC)CC1 ZINC001480410343 1018506063 /nfs/dbraw/zinc/50/60/63/1018506063.db2.gz FQEGBLYVCBQGCS-UHFFFAOYSA-N 2 1 309.454 0.995 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001480709921 1018794360 /nfs/dbraw/zinc/79/43/60/1018794360.db2.gz TZCAVTVTADHORM-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001501369861 1019105948 /nfs/dbraw/zinc/10/59/48/1019105948.db2.gz SSYDWVFDXAHOQB-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362411907 239100815 /nfs/dbraw/zinc/10/08/15/239100815.db2.gz DESSNDIARFNJSE-OAHLLOKOSA-N 2 1 307.442 0.070 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000491425903 533101864 /nfs/dbraw/zinc/10/18/64/533101864.db2.gz CXODZJXJYOAVPR-UHFFFAOYSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000491425903 533101868 /nfs/dbraw/zinc/10/18/68/533101868.db2.gz CXODZJXJYOAVPR-UHFFFAOYSA-N 2 1 324.469 0.694 20 30 DCEDMP C[NH+]=C(NCCc1csc(C)n1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000088870073 395708485 /nfs/dbraw/zinc/70/84/85/395708485.db2.gz WVGJUJYLWXIQJS-CQSZACIVSA-N 2 1 324.498 0.405 20 30 DCEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595978008 396701832 /nfs/dbraw/zinc/70/18/32/396701832.db2.gz RPMXPKWSYYDYKU-HZPDHXFCSA-N 2 1 321.469 0.634 20 30 DCEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595978008 396701835 /nfs/dbraw/zinc/70/18/35/396701835.db2.gz RPMXPKWSYYDYKU-HZPDHXFCSA-N 2 1 321.469 0.634 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441059 397551354 /nfs/dbraw/zinc/55/13/54/397551354.db2.gz LWCXIOUIEAPXJW-GJZGRUSLSA-N 2 1 310.442 0.871 20 30 DCEDMP CCc1nc(C)c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)o1 ZINC000291979947 415839373 /nfs/dbraw/zinc/83/93/73/415839373.db2.gz UXEJLOMPKRLCND-UHFFFAOYSA-N 2 1 309.414 0.672 20 30 DCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)[C@@H](C)C1 ZINC000329427260 416169637 /nfs/dbraw/zinc/16/96/37/416169637.db2.gz JCUWHQIOSKTHKK-RZLSGREXSA-N 2 1 324.469 0.770 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000186952410 416257811 /nfs/dbraw/zinc/25/78/11/416257811.db2.gz YGXJEGCNSCQMLH-OAHLLOKOSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261632241 416335504 /nfs/dbraw/zinc/33/55/04/416335504.db2.gz DFDNTPCDSOQREW-KKUMJFAQSA-N 2 1 322.453 0.257 20 30 DCEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264098711 416338960 /nfs/dbraw/zinc/33/89/60/416338960.db2.gz NJIJQUGNNXNECD-BBRMVZONSA-N 2 1 320.437 0.345 20 30 DCEDMP C[C@@H]1C[C@@H](CO)C[NH+](CC#CC[N@H+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420953876 416419494 /nfs/dbraw/zinc/41/94/94/416419494.db2.gz YYCXJPSAWJJUEV-TVFCKZIOSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1C[C@@H](CO)C[N@H+](CC#CC[NH+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420953876 416419496 /nfs/dbraw/zinc/41/94/96/416419496.db2.gz YYCXJPSAWJJUEV-TVFCKZIOSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1C[C@@H](CO)C[N@@H+](CC#CC[NH+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420953876 416419497 /nfs/dbraw/zinc/41/94/97/416419497.db2.gz YYCXJPSAWJJUEV-TVFCKZIOSA-N 2 1 308.466 0.890 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000491742346 416621448 /nfs/dbraw/zinc/62/14/48/416621448.db2.gz LSAFKZVFHNDBCO-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000491742346 416621452 /nfs/dbraw/zinc/62/14/52/416621452.db2.gz LSAFKZVFHNDBCO-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000491742346 416621457 /nfs/dbraw/zinc/62/14/57/416621457.db2.gz LSAFKZVFHNDBCO-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000517567302 416811345 /nfs/dbraw/zinc/81/13/45/416811345.db2.gz DTADKGSXSDQWLJ-HZPDHXFCSA-N 2 1 319.405 0.344 20 30 DCEDMP C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000329274228 299005497 /nfs/dbraw/zinc/00/54/97/299005497.db2.gz BBCFTZIJKAVBGP-ZDUSSCGKSA-N 2 1 310.442 0.597 20 30 DCEDMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000330165945 336119857 /nfs/dbraw/zinc/11/98/57/336119857.db2.gz XMTBPRCTRAKZLE-CQSZACIVSA-N 2 1 324.469 0.773 20 30 DCEDMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000330165945 336119858 /nfs/dbraw/zinc/11/98/58/336119858.db2.gz XMTBPRCTRAKZLE-CQSZACIVSA-N 2 1 324.469 0.773 20 30 DCEDMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000330165945 336119859 /nfs/dbraw/zinc/11/98/59/336119859.db2.gz XMTBPRCTRAKZLE-CQSZACIVSA-N 2 1 324.469 0.773 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001567308003 1160305945 /nfs/dbraw/zinc/30/59/45/1160305945.db2.gz PRCWDEIHSNFYFZ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001567308003 1160305950 /nfs/dbraw/zinc/30/59/50/1160305950.db2.gz PRCWDEIHSNFYFZ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567308003 1160305956 /nfs/dbraw/zinc/30/59/56/1160305956.db2.gz PRCWDEIHSNFYFZ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001567308003 1160305961 /nfs/dbraw/zinc/30/59/61/1160305961.db2.gz PRCWDEIHSNFYFZ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001567720538 1160463620 /nfs/dbraw/zinc/46/36/20/1160463620.db2.gz ADXJOIVBHPIXNF-UHFFFAOYSA-N 2 1 308.470 0.428 20 30 DCEDMP C[NH+]=C(NCC(=O)N1CCCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262771890 526346382 /nfs/dbraw/zinc/34/63/82/526346382.db2.gz JZTATNTURQRIOJ-ZDUSSCGKSA-N 2 1 307.442 0.401 20 30 DCEDMP C[NH+]=C(NCC(=O)N1CCCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262771890 526346384 /nfs/dbraw/zinc/34/63/84/526346384.db2.gz JZTATNTURQRIOJ-ZDUSSCGKSA-N 2 1 307.442 0.401 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000248700763 526426896 /nfs/dbraw/zinc/42/68/96/526426896.db2.gz ZNUOVCHHGLDBDY-GJZGRUSLSA-N 2 1 324.469 0.733 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000364334944 526435284 /nfs/dbraw/zinc/43/52/84/526435284.db2.gz DHARWPLTODEBRV-CVEARBPZSA-N 2 1 322.453 0.799 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371349133 527017744 /nfs/dbraw/zinc/01/77/44/527017744.db2.gz FXBALYUFDSIBMT-MRXNPFEDSA-N 2 1 320.481 0.615 20 30 DCEDMP CC(C)CNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264091557 527954967 /nfs/dbraw/zinc/95/49/67/527954967.db2.gz LBWIEVMVQNSERZ-MRXNPFEDSA-N 2 1 304.438 0.966 20 30 DCEDMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329466340 546049663 /nfs/dbraw/zinc/04/96/63/546049663.db2.gz RXXYZNIMOCUBSI-KGLIPLIRSA-N 2 1 309.458 0.363 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672529253 1175123635 /nfs/dbraw/zinc/12/36/35/1175123635.db2.gz BXYVZVXEMQVOHZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001674052500 1175249426 /nfs/dbraw/zinc/24/94/26/1175249426.db2.gz WYOCREQUCGRKJK-UHFFFAOYSA-N 2 1 308.470 0.731 20 30 DCEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261657626 661354411 /nfs/dbraw/zinc/35/44/11/661354411.db2.gz AHYXPEYSURMRGM-UXIGCNINSA-N 2 1 312.483 0.502 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027888601 660888925 /nfs/dbraw/zinc/88/89/25/660888925.db2.gz VAYLUGXBRSHMFW-AWEZNQCLSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001022196794 657537424 /nfs/dbraw/zinc/53/74/24/657537424.db2.gz UBNZKAGKZCKXSJ-LZWOXQAQSA-N 2 1 305.422 0.500 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001022221036 657568173 /nfs/dbraw/zinc/56/81/73/657568173.db2.gz VWCVUBVTTOQIPA-NXOAAHMSSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001022221036 657568181 /nfs/dbraw/zinc/56/81/81/657568181.db2.gz VWCVUBVTTOQIPA-NXOAAHMSSA-N 2 1 319.449 0.747 20 30 DCEDMP C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673189 658222915 /nfs/dbraw/zinc/22/29/15/658222915.db2.gz DYQOLSUVWILBGZ-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673189 658222921 /nfs/dbraw/zinc/22/29/21/658222921.db2.gz DYQOLSUVWILBGZ-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673189 658222927 /nfs/dbraw/zinc/22/29/27/658222927.db2.gz DYQOLSUVWILBGZ-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972673189 658222930 /nfs/dbraw/zinc/22/29/30/658222930.db2.gz DYQOLSUVWILBGZ-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972673189 658222935 /nfs/dbraw/zinc/22/29/35/658222935.db2.gz DYQOLSUVWILBGZ-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970168512 658682081 /nfs/dbraw/zinc/68/20/81/658682081.db2.gz BYNHUJXMJMCWLC-DFFOAJLQSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389409 658704350 /nfs/dbraw/zinc/70/43/50/658704350.db2.gz MQVMJZSSMXVKQX-BFYDXBDKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675557 665607443 /nfs/dbraw/zinc/60/74/43/665607443.db2.gz ARUDUKBMUYFQER-HOTGVXAUSA-N 2 1 317.437 0.920 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799088 659565552 /nfs/dbraw/zinc/56/55/52/659565552.db2.gz UYDPBWZGEIHWJA-NRKLIOEPSA-N 2 1 319.449 0.862 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025799088 659565556 /nfs/dbraw/zinc/56/55/56/659565556.db2.gz UYDPBWZGEIHWJA-NRKLIOEPSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969374 659743807 /nfs/dbraw/zinc/74/38/07/659743807.db2.gz JBBCWLNEEIUKGN-HZPDHXFCSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969374 659743810 /nfs/dbraw/zinc/74/38/10/659743810.db2.gz JBBCWLNEEIUKGN-HZPDHXFCSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969374 659743815 /nfs/dbraw/zinc/74/38/15/659743815.db2.gz JBBCWLNEEIUKGN-HZPDHXFCSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969374 659743817 /nfs/dbraw/zinc/74/38/17/659743817.db2.gz JBBCWLNEEIUKGN-HZPDHXFCSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038347001 659747953 /nfs/dbraw/zinc/74/79/53/659747953.db2.gz UEKLHCAWWSMRDZ-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038347001 659747958 /nfs/dbraw/zinc/74/79/58/659747958.db2.gz UEKLHCAWWSMRDZ-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038347001 659747966 /nfs/dbraw/zinc/74/79/66/659747966.db2.gz UEKLHCAWWSMRDZ-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038347001 659747972 /nfs/dbraw/zinc/74/79/72/659747972.db2.gz UEKLHCAWWSMRDZ-SJORKVTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977614339 659786549 /nfs/dbraw/zinc/78/65/49/659786549.db2.gz KCDBWYPBFXURAQ-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977614339 659786552 /nfs/dbraw/zinc/78/65/52/659786552.db2.gz KCDBWYPBFXURAQ-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614339 659786555 /nfs/dbraw/zinc/78/65/55/659786555.db2.gz KCDBWYPBFXURAQ-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614339 659786559 /nfs/dbraw/zinc/78/65/59/659786559.db2.gz KCDBWYPBFXURAQ-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046867 665729731 /nfs/dbraw/zinc/72/97/31/665729731.db2.gz WREPQAYWMVUXGF-ZFWWWQNUSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046867 665729733 /nfs/dbraw/zinc/72/97/33/665729733.db2.gz WREPQAYWMVUXGF-ZFWWWQNUSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046867 665729735 /nfs/dbraw/zinc/72/97/35/665729735.db2.gz WREPQAYWMVUXGF-ZFWWWQNUSA-N 2 1 318.425 0.279 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001029002873 661930020 /nfs/dbraw/zinc/93/00/20/661930020.db2.gz CWKIAJWPCGSPMF-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCSC(C)(C)C1 ZINC000261963938 661934029 /nfs/dbraw/zinc/93/40/29/661934029.db2.gz PPTSLWFIYIIVKE-CYBMUJFWSA-N 2 1 313.515 0.635 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000895056054 662054249 /nfs/dbraw/zinc/05/42/49/662054249.db2.gz AXJABSZNSYNDTF-HOTGVXAUSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895056054 662054251 /nfs/dbraw/zinc/05/42/51/662054251.db2.gz AXJABSZNSYNDTF-HOTGVXAUSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895056054 662054253 /nfs/dbraw/zinc/05/42/53/662054253.db2.gz AXJABSZNSYNDTF-HOTGVXAUSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000985469912 662463253 /nfs/dbraw/zinc/46/32/53/662463253.db2.gz KXYXEEXQPMMSNZ-INIZCTEOSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000985469912 662463254 /nfs/dbraw/zinc/46/32/54/662463254.db2.gz KXYXEEXQPMMSNZ-INIZCTEOSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000986569459 662600516 /nfs/dbraw/zinc/60/05/16/662600516.db2.gz LRRWXIZFZWKZGE-KBPBESRZSA-N 2 1 300.406 0.974 20 30 DCEDMP COCC[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000912509468 664182041 /nfs/dbraw/zinc/18/20/41/664182041.db2.gz HIRCEMSULVNTGZ-UONOGXRCSA-N 2 1 312.458 0.830 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000913517875 664337548 /nfs/dbraw/zinc/33/75/48/664337548.db2.gz TWKPEVNPUHQPDK-KRWDZBQOSA-N 2 1 314.433 0.975 20 30 DCEDMP C#CCN(C(=O)NCCC[N@H+](C)CCOC)C1CC[NH+](C)CC1 ZINC000914176213 664762429 /nfs/dbraw/zinc/76/24/29/664762429.db2.gz AJGBPFZAYDNFPJ-UHFFFAOYSA-N 2 1 324.469 0.694 20 30 DCEDMP C[NH+]1CCN(N=C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000731559892 664871314 /nfs/dbraw/zinc/87/13/14/664871314.db2.gz NFQUEWASAHOBTG-UHFFFAOYSA-N 2 1 309.458 0.018 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997872230 665356195 /nfs/dbraw/zinc/35/61/95/665356195.db2.gz XEIHVYSMOWPWEX-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997872230 665356197 /nfs/dbraw/zinc/35/61/97/665356197.db2.gz XEIHVYSMOWPWEX-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431618 665996602 /nfs/dbraw/zinc/99/66/02/665996602.db2.gz QNEWUEJEHHYWTP-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431618 665996604 /nfs/dbraw/zinc/99/66/04/665996604.db2.gz QNEWUEJEHHYWTP-QGZVFWFLSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CCN1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941636603 666032903 /nfs/dbraw/zinc/03/29/03/666032903.db2.gz OQVFPEUIPWXBEX-HNNXBMFYSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941636603 666032904 /nfs/dbraw/zinc/03/29/04/666032904.db2.gz OQVFPEUIPWXBEX-HNNXBMFYSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941636603 666032906 /nfs/dbraw/zinc/03/29/06/666032906.db2.gz OQVFPEUIPWXBEX-HNNXBMFYSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639808 666033192 /nfs/dbraw/zinc/03/31/92/666033192.db2.gz ZBFXAHSKOOQQFX-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001423520 666050597 /nfs/dbraw/zinc/05/05/97/666050597.db2.gz BRQKTKITCFBSIY-HOTGVXAUSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647160 666082228 /nfs/dbraw/zinc/08/22/28/666082228.db2.gz SINIASQYELBMOI-UPTPFMHGSA-N 2 1 317.433 0.311 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001032837151 666289210 /nfs/dbraw/zinc/28/92/10/666289210.db2.gz PBRKSTPVZQSFPG-ZACQAIPSSA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333731 666296184 /nfs/dbraw/zinc/29/61/84/666296184.db2.gz SNWUOOHPUPCLAL-BFHRDPOASA-N 2 1 317.433 0.454 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278131 666659056 /nfs/dbraw/zinc/65/90/56/666659056.db2.gz MDNIVWLPLMVGHN-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278131 666659058 /nfs/dbraw/zinc/65/90/58/666659058.db2.gz MDNIVWLPLMVGHN-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278131 666659060 /nfs/dbraw/zinc/65/90/60/666659060.db2.gz MDNIVWLPLMVGHN-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279730 666659547 /nfs/dbraw/zinc/65/95/47/666659547.db2.gz WQXFGNRXODWLTP-GYMHETDLSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279730 666659548 /nfs/dbraw/zinc/65/95/48/666659548.db2.gz WQXFGNRXODWLTP-GYMHETDLSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279730 666659549 /nfs/dbraw/zinc/65/95/49/666659549.db2.gz WQXFGNRXODWLTP-GYMHETDLSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996068456 666736643 /nfs/dbraw/zinc/73/66/43/666736643.db2.gz GVVGVDIKHSXJCE-NWPKHEMWSA-N 2 1 319.449 0.862 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754315539 1157683931 /nfs/dbraw/zinc/68/39/31/1157683931.db2.gz WEEZXAORXOUPHL-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996686557 666863295 /nfs/dbraw/zinc/86/32/95/666863295.db2.gz UWGZLMCXDNDTKH-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996686557 666863301 /nfs/dbraw/zinc/86/33/01/666863301.db2.gz UWGZLMCXDNDTKH-WBVHZDCISA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475168 667298459 /nfs/dbraw/zinc/29/84/59/667298459.db2.gz HWTOKSIPFFQIHW-HOTGVXAUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035680323 667398432 /nfs/dbraw/zinc/39/84/32/667398432.db2.gz PKZLJMBBXGQPKE-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035680323 667398434 /nfs/dbraw/zinc/39/84/34/667398434.db2.gz PKZLJMBBXGQPKE-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000884195688 667494836 /nfs/dbraw/zinc/49/48/36/667494836.db2.gz WGZPQVAXNMHVGV-VXSWHIBVSA-N 2 1 302.422 0.869 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000884197071 667495560 /nfs/dbraw/zinc/49/55/60/667495560.db2.gz JIEREPTYZZYKHS-ZBFHGGJFSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000884197071 667495561 /nfs/dbraw/zinc/49/55/61/667495561.db2.gz JIEREPTYZZYKHS-ZBFHGGJFSA-N 2 1 324.494 0.821 20 30 DCEDMP COCCC[N@@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884226077 667504179 /nfs/dbraw/zinc/50/41/79/667504179.db2.gz JUFPHJBTEBQLBH-NPCAHTBFSA-N 2 1 308.426 0.210 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000838622830 667701646 /nfs/dbraw/zinc/70/16/46/667701646.db2.gz PNCMMRQTMTXCQV-HZPDHXFCSA-N 2 1 322.453 0.182 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001691492602 1157958979 /nfs/dbraw/zinc/95/89/79/1157958979.db2.gz XBXQJMOJKBQQTH-RBSFLKMASA-N 2 1 311.426 0.004 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001691492602 1157958985 /nfs/dbraw/zinc/95/89/85/1157958985.db2.gz XBXQJMOJKBQQTH-RBSFLKMASA-N 2 1 311.426 0.004 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1ncccc1C#N ZINC000848989423 670745982 /nfs/dbraw/zinc/74/59/82/670745982.db2.gz HUWYUWWFZPADHY-AWEZNQCLSA-N 2 1 315.425 0.963 20 30 DCEDMP C[N@H+]1CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC000858136987 670973655 /nfs/dbraw/zinc/97/36/55/670973655.db2.gz BZMWRSXEYDFOOZ-DKASORFFSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCOC)CC1 ZINC001024811942 693835969 /nfs/dbraw/zinc/83/59/69/693835969.db2.gz GCMJYFAGCLCRDT-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])N2CCSCC2)C[C@H](C)O1 ZINC000303786549 685206755 /nfs/dbraw/zinc/20/67/55/685206755.db2.gz RNTFJVXAOYCNRT-BETUJISGSA-N 2 1 300.472 0.849 20 30 DCEDMP C[C@@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCS1 ZINC000305041199 685212723 /nfs/dbraw/zinc/21/27/23/685212723.db2.gz JSEJLKDRDHYLEJ-AWEZNQCLSA-N 2 1 300.472 0.899 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC000958481142 687694641 /nfs/dbraw/zinc/69/46/41/687694641.db2.gz NLOYMNMPMWNZBJ-IAGOWNOFSA-N 2 1 317.433 0.957 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958556569 687744255 /nfs/dbraw/zinc/74/42/55/687744255.db2.gz TXUCZETYZSBJRO-SJORKVTESA-N 2 1 321.465 0.539 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC000958556565 687744502 /nfs/dbraw/zinc/74/45/02/687744502.db2.gz TXUCZETYZSBJRO-IAGOWNOFSA-N 2 1 321.465 0.539 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962170732 688837845 /nfs/dbraw/zinc/83/78/45/688837845.db2.gz WJAIFTMRTGYTED-FVQHAEBGSA-N 2 1 321.384 0.951 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962170732 688837850 /nfs/dbraw/zinc/83/78/50/688837850.db2.gz WJAIFTMRTGYTED-FVQHAEBGSA-N 2 1 321.384 0.951 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001424693 690544606 /nfs/dbraw/zinc/54/46/06/690544606.db2.gz KVBSCARVVXIBMV-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016789258 692771092 /nfs/dbraw/zinc/77/10/92/692771092.db2.gz BPEKGEMSGSYNBY-JKSUJKDBSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016789258 692771095 /nfs/dbraw/zinc/77/10/95/692771095.db2.gz BPEKGEMSGSYNBY-JKSUJKDBSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569465 692940159 /nfs/dbraw/zinc/94/01/59/692940159.db2.gz MNAMHYDMPVCKJE-XUWVNRHRSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569465 692940161 /nfs/dbraw/zinc/94/01/61/692940161.db2.gz MNAMHYDMPVCKJE-XUWVNRHRSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017569465 692940163 /nfs/dbraw/zinc/94/01/63/692940163.db2.gz MNAMHYDMPVCKJE-XUWVNRHRSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017569465 692940164 /nfs/dbraw/zinc/94/01/64/692940164.db2.gz MNAMHYDMPVCKJE-XUWVNRHRSA-N 2 1 305.422 0.711 20 30 DCEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040653461 694587415 /nfs/dbraw/zinc/58/74/15/694587415.db2.gz VFXJCTPPOQTJIM-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040653461 694587419 /nfs/dbraw/zinc/58/74/19/694587419.db2.gz VFXJCTPPOQTJIM-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001020028525 693654408 /nfs/dbraw/zinc/65/44/08/693654408.db2.gz BPHLZGKCHJWRRH-KBUPBQIOSA-N 2 1 320.437 0.104 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740737 694659188 /nfs/dbraw/zinc/65/91/88/694659188.db2.gz HQXBJPTZIUFOEQ-INIZCTEOSA-N 2 1 301.434 0.886 20 30 DCEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760647 694661123 /nfs/dbraw/zinc/66/11/23/694661123.db2.gz JHDMEPUDKOZFIB-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760647 694661124 /nfs/dbraw/zinc/66/11/24/694661124.db2.gz JHDMEPUDKOZFIB-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760647 694661125 /nfs/dbraw/zinc/66/11/25/694661125.db2.gz JHDMEPUDKOZFIB-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760865 694661512 /nfs/dbraw/zinc/66/15/12/694661512.db2.gz QZJHUWIWKCESIL-LSDHHAIUSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760865 694661514 /nfs/dbraw/zinc/66/15/14/694661514.db2.gz QZJHUWIWKCESIL-LSDHHAIUSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760865 694661515 /nfs/dbraw/zinc/66/15/15/694661515.db2.gz QZJHUWIWKCESIL-LSDHHAIUSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001072822654 694670474 /nfs/dbraw/zinc/67/04/74/694670474.db2.gz RSYYKDBSPQEUCR-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072822654 694670475 /nfs/dbraw/zinc/67/04/75/694670475.db2.gz RSYYKDBSPQEUCR-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCO)C2 ZINC001072822654 694670476 /nfs/dbraw/zinc/67/04/76/694670476.db2.gz RSYYKDBSPQEUCR-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCO)C2 ZINC001072822654 694670478 /nfs/dbraw/zinc/67/04/78/694670478.db2.gz RSYYKDBSPQEUCR-HNNXBMFYSA-N 2 1 305.422 0.001 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073605552 694750639 /nfs/dbraw/zinc/75/06/39/694750639.db2.gz NILMAHSFAAFNLN-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605552 694750642 /nfs/dbraw/zinc/75/06/42/694750642.db2.gz NILMAHSFAAFNLN-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605552 694750643 /nfs/dbraw/zinc/75/06/43/694750643.db2.gz NILMAHSFAAFNLN-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798998 694977403 /nfs/dbraw/zinc/97/74/03/694977403.db2.gz XTGBCIFEEQPPTO-YESZJQIVSA-N 2 1 301.434 0.884 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576661 695029249 /nfs/dbraw/zinc/02/92/49/695029249.db2.gz UURPCNQMYDSHLX-HRCADAONSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576661 695029250 /nfs/dbraw/zinc/02/92/50/695029250.db2.gz UURPCNQMYDSHLX-HRCADAONSA-N 2 1 307.438 0.673 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)[C@@H](C)C1 ZINC001570446881 1162520397 /nfs/dbraw/zinc/52/03/97/1162520397.db2.gz ZTIZIKPMMKVNFY-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC#CCOC)[C@@H](C)C1 ZINC001570446881 1162520404 /nfs/dbraw/zinc/52/04/04/1162520404.db2.gz ZTIZIKPMMKVNFY-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)[C@@H](C)C1 ZINC001570446881 1162520410 /nfs/dbraw/zinc/52/04/10/1162520410.db2.gz ZTIZIKPMMKVNFY-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001570744379 1162609756 /nfs/dbraw/zinc/60/97/56/1162609756.db2.gz PYMNMUWLIBRUDY-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001570765111 1162616656 /nfs/dbraw/zinc/61/66/56/1162616656.db2.gz NBVBIQMXSCJSRZ-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001570765111 1162616658 /nfs/dbraw/zinc/61/66/58/1162616658.db2.gz NBVBIQMXSCJSRZ-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCCN1CC(CCO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001570770910 1162618771 /nfs/dbraw/zinc/61/87/71/1162618771.db2.gz SGCOGJDLLBFHAK-GASCZTMLSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001570955905 1162654584 /nfs/dbraw/zinc/65/45/84/1162654584.db2.gz UPJMOBJXLDVTQL-PHZGNYQRSA-N 2 1 305.422 0.026 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001570955905 1162654589 /nfs/dbraw/zinc/65/45/89/1162654589.db2.gz UPJMOBJXLDVTQL-PHZGNYQRSA-N 2 1 305.422 0.026 20 30 DCEDMP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001570986512 1162661309 /nfs/dbraw/zinc/66/13/09/1162661309.db2.gz IOJSTNKTQHBQMY-GJZGRUSLSA-N 2 1 306.410 0.973 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001571440531 1162756079 /nfs/dbraw/zinc/75/60/79/1162756079.db2.gz DIOQROZSUPJPAC-CZUORRHYSA-N 2 1 313.417 0.289 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001571456916 1162767745 /nfs/dbraw/zinc/76/77/45/1162767745.db2.gz LLLNROLDKQKBCC-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001772519894 1157419076 /nfs/dbraw/zinc/41/90/76/1157419076.db2.gz SHFWYBBRHFVABV-BBRMVZONSA-N 2 1 315.421 0.861 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001772519894 1157419078 /nfs/dbraw/zinc/41/90/78/1157419078.db2.gz SHFWYBBRHFVABV-BBRMVZONSA-N 2 1 315.421 0.861 20 30 DCEDMP COCC#CC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754315539 1157683927 /nfs/dbraw/zinc/68/39/27/1157683927.db2.gz WEEZXAORXOUPHL-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001725723292 1157760366 /nfs/dbraw/zinc/76/03/66/1157760366.db2.gz JTPJCAWQFLUZEI-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001755051408 1157912235 /nfs/dbraw/zinc/91/22/35/1157912235.db2.gz UIQWHSVLYACGDT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001755051408 1157912237 /nfs/dbraw/zinc/91/22/37/1157912237.db2.gz UIQWHSVLYACGDT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267709552 1157931317 /nfs/dbraw/zinc/93/13/17/1157931317.db2.gz XHUSJJIKSDQKEF-JKSUJKDBSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267709552 1157931318 /nfs/dbraw/zinc/93/13/18/1157931318.db2.gz XHUSJJIKSDQKEF-JKSUJKDBSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267709552 1157931320 /nfs/dbraw/zinc/93/13/20/1157931320.db2.gz XHUSJJIKSDQKEF-JKSUJKDBSA-N 2 1 309.454 0.921 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC#CCOC ZINC001691495959 1157994948 /nfs/dbraw/zinc/99/49/48/1157994948.db2.gz DVXKWQPPWGDVSW-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001176132228 1158850859 /nfs/dbraw/zinc/85/08/59/1158850859.db2.gz AFYCAAOCUXKYPK-CQSZACIVSA-N 2 1 319.409 0.074 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001566033474 1159869506 /nfs/dbraw/zinc/86/95/06/1159869506.db2.gz VSISBNRLLTUZMM-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001566033474 1159869521 /nfs/dbraw/zinc/86/95/21/1159869521.db2.gz VSISBNRLLTUZMM-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001566033474 1159869532 /nfs/dbraw/zinc/86/95/32/1159869532.db2.gz VSISBNRLLTUZMM-DLBZAZTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001565866594 1159916378 /nfs/dbraw/zinc/91/63/78/1159916378.db2.gz OVUAUJWQYDUKIZ-VQHPVUNQSA-N 2 1 321.465 0.729 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001565866594 1159916387 /nfs/dbraw/zinc/91/63/87/1159916387.db2.gz OVUAUJWQYDUKIZ-VQHPVUNQSA-N 2 1 321.465 0.729 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001566648318 1160109489 /nfs/dbraw/zinc/10/94/89/1160109489.db2.gz GTTOWOXFGWZAGX-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001566648318 1160109491 /nfs/dbraw/zinc/10/94/91/1160109491.db2.gz GTTOWOXFGWZAGX-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCOC)C1 ZINC001566872161 1160173845 /nfs/dbraw/zinc/17/38/45/1160173845.db2.gz SJKGUEMBFDXLRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCOC)C1 ZINC001566872161 1160173848 /nfs/dbraw/zinc/17/38/48/1160173848.db2.gz SJKGUEMBFDXLRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCOC)C1 ZINC001566872161 1160173856 /nfs/dbraw/zinc/17/38/56/1160173856.db2.gz SJKGUEMBFDXLRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCOC)C1 ZINC001566872161 1160173861 /nfs/dbraw/zinc/17/38/61/1160173861.db2.gz SJKGUEMBFDXLRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCOC)C1 ZINC001566872161 1160173866 /nfs/dbraw/zinc/17/38/66/1160173866.db2.gz SJKGUEMBFDXLRP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001566905707 1160181042 /nfs/dbraw/zinc/18/10/42/1160181042.db2.gz FGDVDBZDSPSACV-INIZCTEOSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001567202756 1160271396 /nfs/dbraw/zinc/27/13/96/1160271396.db2.gz KCCIGUJFBLKQTJ-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001567384809 1160339717 /nfs/dbraw/zinc/33/97/17/1160339717.db2.gz ZJZXCNCJOMQIBP-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001567384809 1160339724 /nfs/dbraw/zinc/33/97/24/1160339724.db2.gz ZJZXCNCJOMQIBP-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001567384809 1160339730 /nfs/dbraw/zinc/33/97/30/1160339730.db2.gz ZJZXCNCJOMQIBP-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001567384809 1160339733 /nfs/dbraw/zinc/33/97/33/1160339733.db2.gz ZJZXCNCJOMQIBP-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567709245 1160461267 /nfs/dbraw/zinc/46/12/67/1160461267.db2.gz KBAAKOJIXDILIB-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567709245 1160461270 /nfs/dbraw/zinc/46/12/70/1160461270.db2.gz KBAAKOJIXDILIB-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567709245 1160461278 /nfs/dbraw/zinc/46/12/78/1160461278.db2.gz KBAAKOJIXDILIB-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#CCOC ZINC001568175833 1160590728 /nfs/dbraw/zinc/59/07/28/1160590728.db2.gz NKVZDEFIEFJZLY-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001569921602 1161317334 /nfs/dbraw/zinc/31/73/34/1161317334.db2.gz OBSRDZOFCPUPIP-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001569921602 1161317339 /nfs/dbraw/zinc/31/73/39/1161317339.db2.gz OBSRDZOFCPUPIP-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001569921602 1161317346 /nfs/dbraw/zinc/31/73/46/1161317346.db2.gz OBSRDZOFCPUPIP-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC1CC(C)C1 ZINC001569934860 1161331392 /nfs/dbraw/zinc/33/13/92/1161331392.db2.gz MDLHATGUZQXWLA-JCYILVPMSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC1CC(C)C1 ZINC001569934860 1161331397 /nfs/dbraw/zinc/33/13/97/1161331397.db2.gz MDLHATGUZQXWLA-JCYILVPMSA-N 2 1 321.465 0.541 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001569937376 1161333320 /nfs/dbraw/zinc/33/33/20/1161333320.db2.gz UUIBNHNRAJAGCW-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001656228640 1173853879 /nfs/dbraw/zinc/85/38/79/1173853879.db2.gz MUTCQZHVDHDBPA-WKILWMFISA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001660922022 1174069718 /nfs/dbraw/zinc/06/97/18/1174069718.db2.gz XBLJXHGSQXREBS-KRWDZBQOSA-N 2 1 320.481 0.616 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001662685175 1174231228 /nfs/dbraw/zinc/23/12/28/1174231228.db2.gz DAFUIOGLXKIRBG-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC001663201557 1174276392 /nfs/dbraw/zinc/27/63/92/1174276392.db2.gz YUTMYLFMOGOGLE-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC001663201557 1174276398 /nfs/dbraw/zinc/27/63/98/1174276398.db2.gz YUTMYLFMOGOGLE-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H]1CC(C)(C)CO1 ZINC001663201557 1174276404 /nfs/dbraw/zinc/27/64/04/1174276404.db2.gz YUTMYLFMOGOGLE-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H]1CC(C)(C)CO1 ZINC001663201557 1174276411 /nfs/dbraw/zinc/27/64/11/1174276411.db2.gz YUTMYLFMOGOGLE-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccnn1C ZINC001663989656 1174380222 /nfs/dbraw/zinc/38/02/22/1174380222.db2.gz UHIZDXYERLNUOC-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccnn1C ZINC001663989656 1174380227 /nfs/dbraw/zinc/38/02/27/1174380227.db2.gz UHIZDXYERLNUOC-INIZCTEOSA-N 2 1 317.437 0.108 20 30 DCEDMP C=CCCC[NH+]1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001665134728 1174483939 /nfs/dbraw/zinc/48/39/39/1174483939.db2.gz SRIAPAYKYMZVHK-UHFFFAOYSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001666913913 1174646099 /nfs/dbraw/zinc/64/60/99/1174646099.db2.gz LVBUBOOQRASSBT-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001667203858 1174667922 /nfs/dbraw/zinc/66/79/22/1174667922.db2.gz MHAWQKHBBFKCCU-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1snnc1C ZINC001669584469 1174937345 /nfs/dbraw/zinc/93/73/45/1174937345.db2.gz PQNNOPMFUMZTPM-AAEUAGOBSA-N 2 1 321.450 0.538 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1snnc1C ZINC001669584469 1174937347 /nfs/dbraw/zinc/93/73/47/1174937347.db2.gz PQNNOPMFUMZTPM-AAEUAGOBSA-N 2 1 321.450 0.538 20 30 DCEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001671998094 1175057159 /nfs/dbraw/zinc/05/71/59/1175057159.db2.gz BWMFHTPUHHWNSS-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671998094 1175057164 /nfs/dbraw/zinc/05/71/64/1175057164.db2.gz BWMFHTPUHHWNSS-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671998094 1175057168 /nfs/dbraw/zinc/05/71/68/1175057168.db2.gz BWMFHTPUHHWNSS-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001672081110 1175075760 /nfs/dbraw/zinc/07/57/60/1175075760.db2.gz QEIYZNYKFBRKMN-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001672081110 1175075763 /nfs/dbraw/zinc/07/57/63/1175075763.db2.gz QEIYZNYKFBRKMN-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001672677033 1175141440 /nfs/dbraw/zinc/14/14/40/1175141440.db2.gz QYZGDEIPPGZRRS-GFCCVEGCSA-N 2 1 303.834 0.491 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001672690271 1175144278 /nfs/dbraw/zinc/14/42/78/1175144278.db2.gz JLGXVZRAVRBSRI-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001673352192 1175194652 /nfs/dbraw/zinc/19/46/52/1175194652.db2.gz HGLAGZNKOJMDGJ-MRXNPFEDSA-N 2 1 318.465 0.180 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001673675679 1175222304 /nfs/dbraw/zinc/22/23/04/1175222304.db2.gz FRVMNVWPNDRPCA-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCOCC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001675360412 1175350680 /nfs/dbraw/zinc/35/06/80/1175350680.db2.gz YKYPAPWHMDEHIJ-LSDHHAIUSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001676614297 1175467918 /nfs/dbraw/zinc/46/79/18/1175467918.db2.gz BBPLKQXMSJLUHS-JKSUJKDBSA-N 2 1 303.406 0.379 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001677168206 1175542697 /nfs/dbraw/zinc/54/26/97/1175542697.db2.gz AQMJNWBMRQGDCI-SJORKVTESA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001677168206 1175542699 /nfs/dbraw/zinc/54/26/99/1175542699.db2.gz AQMJNWBMRQGDCI-SJORKVTESA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001677168206 1175542702 /nfs/dbraw/zinc/54/27/02/1175542702.db2.gz AQMJNWBMRQGDCI-SJORKVTESA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001677168203 1175543088 /nfs/dbraw/zinc/54/30/88/1175543088.db2.gz AQMJNWBMRQGDCI-DLBZAZTESA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001677168203 1175543090 /nfs/dbraw/zinc/54/30/90/1175543090.db2.gz AQMJNWBMRQGDCI-DLBZAZTESA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001677168203 1175543093 /nfs/dbraw/zinc/54/30/93/1175543093.db2.gz AQMJNWBMRQGDCI-DLBZAZTESA-N 2 1 323.481 0.883 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690092088 1177169887 /nfs/dbraw/zinc/16/98/87/1177169887.db2.gz VMHNATLNNVIUBB-JKSUJKDBSA-N 2 1 307.438 0.721 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)CCCCN2CCOCC2)C1 ZINC001690390202 1177232606 /nfs/dbraw/zinc/23/26/06/1177232606.db2.gz LIRFIFITFFYONT-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001690390202 1177232609 /nfs/dbraw/zinc/23/26/09/1177232609.db2.gz LIRFIFITFFYONT-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699047437 1177796712 /nfs/dbraw/zinc/79/67/12/1177796712.db2.gz LKHTWXRLFIGPOA-DOTOQJQBSA-N 2 1 321.465 0.731 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001699798717 1178288258 /nfs/dbraw/zinc/28/82/58/1178288258.db2.gz KABPVSIXMQIFSC-DLBZAZTESA-N 2 1 321.465 0.853 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001699880587 1178326733 /nfs/dbraw/zinc/32/67/33/1178326733.db2.gz MZBQAFSSRPYLSR-UHFFFAOYSA-N 2 1 304.394 0.470 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#CC)CCOCC1 ZINC001699880553 1178328265 /nfs/dbraw/zinc/32/82/65/1178328265.db2.gz LLIBCWONUNFFFQ-INIZCTEOSA-N 2 1 317.433 0.362 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#CC)CCOCC1 ZINC001699880553 1178328281 /nfs/dbraw/zinc/32/82/81/1178328281.db2.gz LLIBCWONUNFFFQ-INIZCTEOSA-N 2 1 317.433 0.362 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC#CCOC)CC2 ZINC001700109501 1178478402 /nfs/dbraw/zinc/47/84/02/1178478402.db2.gz NKKWMGVPZAHOSO-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001700170013 1178514791 /nfs/dbraw/zinc/51/47/91/1178514791.db2.gz GIOADEZIYKLZQV-HNNXBMFYSA-N 2 1 307.442 0.070 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001700170013 1178514792 /nfs/dbraw/zinc/51/47/92/1178514792.db2.gz GIOADEZIYKLZQV-HNNXBMFYSA-N 2 1 307.442 0.070 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001700237305 1178547297 /nfs/dbraw/zinc/54/72/97/1178547297.db2.gz VOUXHRIALIWIPV-MRXNPFEDSA-N 2 1 322.409 0.479 20 30 DCEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2cncn2C1 ZINC001700703720 1178713769 /nfs/dbraw/zinc/71/37/69/1178713769.db2.gz BYZVVGUOUCDWDE-AWEZNQCLSA-N 2 1 306.410 0.696 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CCOC ZINC001701002938 1178867028 /nfs/dbraw/zinc/86/70/28/1178867028.db2.gz QSEOEJOTLBHJDX-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CCOC ZINC001701002938 1178867042 /nfs/dbraw/zinc/86/70/42/1178867042.db2.gz QSEOEJOTLBHJDX-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)CCOC ZINC001701002938 1178867055 /nfs/dbraw/zinc/86/70/55/1178867055.db2.gz QSEOEJOTLBHJDX-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)CCOC ZINC001701002938 1178867062 /nfs/dbraw/zinc/86/70/62/1178867062.db2.gz QSEOEJOTLBHJDX-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001707064405 1180407522 /nfs/dbraw/zinc/40/75/22/1180407522.db2.gz IPTPDSUNTQHESZ-BBWFWOEESA-N 2 1 317.433 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001707064405 1180407527 /nfs/dbraw/zinc/40/75/27/1180407527.db2.gz IPTPDSUNTQHESZ-BBWFWOEESA-N 2 1 317.433 0.218 20 30 DCEDMP CC#CC[NH+](CCCNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001713049274 1180650506 /nfs/dbraw/zinc/65/05/06/1180650506.db2.gz DIRPEBOVURWJOF-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001713049274 1180650509 /nfs/dbraw/zinc/65/05/09/1180650509.db2.gz DIRPEBOVURWJOF-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CC1 ZINC001713049274 1180650510 /nfs/dbraw/zinc/65/05/10/1180650510.db2.gz DIRPEBOVURWJOF-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CC1 ZINC001713049274 1180650514 /nfs/dbraw/zinc/65/05/14/1180650514.db2.gz DIRPEBOVURWJOF-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001713182550 1180709515 /nfs/dbraw/zinc/70/95/15/1180709515.db2.gz OOBFUSRAPIEVRH-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001713277280 1180747732 /nfs/dbraw/zinc/74/77/32/1180747732.db2.gz GMAVHHPEIZJKEU-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001713277280 1180747738 /nfs/dbraw/zinc/74/77/38/1180747738.db2.gz GMAVHHPEIZJKEU-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001713519620 1180892704 /nfs/dbraw/zinc/89/27/04/1180892704.db2.gz FGOYRBQIBXLUOZ-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001713519620 1180892711 /nfs/dbraw/zinc/89/27/11/1180892711.db2.gz FGOYRBQIBXLUOZ-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713519620 1180892714 /nfs/dbraw/zinc/89/27/14/1180892714.db2.gz FGOYRBQIBXLUOZ-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713519620 1180892720 /nfs/dbraw/zinc/89/27/20/1180892720.db2.gz FGOYRBQIBXLUOZ-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCC[N@H+](CCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001713563837 1180924914 /nfs/dbraw/zinc/92/49/14/1180924914.db2.gz BDVQRCLURZLTGO-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001713823259 1181097465 /nfs/dbraw/zinc/09/74/65/1181097465.db2.gz HYQHXVMNCHHSDP-SOUVJXGZSA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001713905989 1181140157 /nfs/dbraw/zinc/14/01/57/1181140157.db2.gz FLLAUROGZRHHCI-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001713905989 1181140163 /nfs/dbraw/zinc/14/01/63/1181140163.db2.gz FLLAUROGZRHHCI-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCOC)C1 ZINC001714071557 1181234168 /nfs/dbraw/zinc/23/41/68/1181234168.db2.gz QPDXPUAEINSRRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCOC)C1 ZINC001714071557 1181234174 /nfs/dbraw/zinc/23/41/74/1181234174.db2.gz QPDXPUAEINSRRP-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001714345640 1181329307 /nfs/dbraw/zinc/32/93/07/1181329307.db2.gz GDZFZDVDFKZVHA-RBSFLKMASA-N 2 1 322.453 0.352 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC#CCOC)CC[N@H+]1C ZINC001715736227 1181966888 /nfs/dbraw/zinc/96/68/88/1181966888.db2.gz OALVRGZRUSHSRT-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCOCC1 ZINC001715830204 1182034315 /nfs/dbraw/zinc/03/43/15/1182034315.db2.gz XZTGLGPIEWWTAV-LIMHQNJXSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCOCC1 ZINC001715830204 1182034319 /nfs/dbraw/zinc/03/43/19/1182034319.db2.gz XZTGLGPIEWWTAV-LIMHQNJXSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC001715980609 1182129091 /nfs/dbraw/zinc/12/90/91/1182129091.db2.gz BYFMAXKTMSDVIR-RDJZCZTQSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC001715980609 1182129093 /nfs/dbraw/zinc/12/90/93/1182129093.db2.gz BYFMAXKTMSDVIR-RDJZCZTQSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716061704 1182169734 /nfs/dbraw/zinc/16/97/34/1182169734.db2.gz AMYQZQKIBUNATJ-DOTOQJQBSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCOC1 ZINC001716307488 1182321770 /nfs/dbraw/zinc/32/17/70/1182321770.db2.gz YIJCIYYAOHEAKQ-PIGHNIFASA-N 2 1 305.422 0.383 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCOC1 ZINC001716307488 1182321775 /nfs/dbraw/zinc/32/17/75/1182321775.db2.gz YIJCIYYAOHEAKQ-PIGHNIFASA-N 2 1 305.422 0.383 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC#CCOC)CC[N@H+]1C ZINC001716479951 1182405509 /nfs/dbraw/zinc/40/55/09/1182405509.db2.gz JZDSIVHMLMQJJL-HRCADAONSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC#CCOC)CC[NH+]1C ZINC001716479951 1182405515 /nfs/dbraw/zinc/40/55/15/1182405515.db2.gz JZDSIVHMLMQJJL-HRCADAONSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#CCOC)CC[NH+]1C ZINC001716479951 1182405521 /nfs/dbraw/zinc/40/55/21/1182405521.db2.gz JZDSIVHMLMQJJL-HRCADAONSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#CCOC)C1CC1 ZINC001716632009 1182471009 /nfs/dbraw/zinc/47/10/09/1182471009.db2.gz SLVZTRZJQRPSTN-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC#CCOC ZINC001716788803 1182526264 /nfs/dbraw/zinc/52/62/64/1182526264.db2.gz WMMDGKRTJPSREY-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001716809028 1182532353 /nfs/dbraw/zinc/53/23/53/1182532353.db2.gz QUFFRDPPBFLAKJ-HIFRSBDPSA-N 2 1 322.453 0.127 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCO1 ZINC001717179388 1182713037 /nfs/dbraw/zinc/71/30/37/1182713037.db2.gz LRNOYKWYHQTSML-ZBFHGGJFSA-N 2 1 318.421 0.757 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCO1 ZINC001717179387 1182713645 /nfs/dbraw/zinc/71/36/45/1182713645.db2.gz LRNOYKWYHQTSML-HOCLYGCPSA-N 2 1 318.421 0.757 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001717180916 1182714671 /nfs/dbraw/zinc/71/46/71/1182714671.db2.gz CPCRNZOBXXMBJZ-OAHLLOKOSA-N 2 1 318.421 0.847 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCOCC1 ZINC001717267691 1182758360 /nfs/dbraw/zinc/75/83/60/1182758360.db2.gz XGDYROUXDLTDJL-JKSUJKDBSA-N 2 1 319.449 0.892 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001717646765 1182937514 /nfs/dbraw/zinc/93/75/14/1182937514.db2.gz JBWAMAOZEFTRLE-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001723874547 1184357173 /nfs/dbraw/zinc/35/71/73/1184357173.db2.gz LTGZHZJFIVATLX-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001724736660 1184540564 /nfs/dbraw/zinc/54/05/64/1184540564.db2.gz CFBGIOTUNYODFB-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001724998330 1184651120 /nfs/dbraw/zinc/65/11/20/1184651120.db2.gz APIOJRIVGRFJSZ-HOCLYGCPSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001724998330 1184651125 /nfs/dbraw/zinc/65/11/25/1184651125.db2.gz APIOJRIVGRFJSZ-HOCLYGCPSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001725650613 1184928156 /nfs/dbraw/zinc/92/81/56/1184928156.db2.gz KJLYQBXADACIEF-HOTGVXAUSA-N 2 1 318.421 0.716 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001753291971 1185193861 /nfs/dbraw/zinc/19/38/61/1185193861.db2.gz BMTAKFREJOGFSV-UHFFFAOYSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1 ZINC001731430330 1185329873 /nfs/dbraw/zinc/32/98/73/1185329873.db2.gz RCMVEFJMYKLNIW-GASCZTMLSA-N 2 1 304.394 0.761 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1 ZINC001731430330 1185329878 /nfs/dbraw/zinc/32/98/78/1185329878.db2.gz RCMVEFJMYKLNIW-GASCZTMLSA-N 2 1 304.394 0.761 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731441448 1185333364 /nfs/dbraw/zinc/33/33/64/1185333364.db2.gz GDMQGNFZTGPQPU-XUXIUFHCSA-N 2 1 308.426 0.008 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001731787522 1185487156 /nfs/dbraw/zinc/48/71/56/1185487156.db2.gz LEBNAIZIXKDPJW-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001731787522 1185487160 /nfs/dbraw/zinc/48/71/60/1185487160.db2.gz LEBNAIZIXKDPJW-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001731787522 1185487163 /nfs/dbraw/zinc/48/71/63/1185487163.db2.gz LEBNAIZIXKDPJW-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001731787522 1185487166 /nfs/dbraw/zinc/48/71/66/1185487166.db2.gz LEBNAIZIXKDPJW-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001732175695 1185721840 /nfs/dbraw/zinc/72/18/40/1185721840.db2.gz KXSVUWBXZABZSC-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001732658455 1185901768 /nfs/dbraw/zinc/90/17/68/1185901768.db2.gz OVZCYKQTDGZWGK-WFASDCNBSA-N 2 1 301.406 0.452 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCO1 ZINC001732998562 1186097893 /nfs/dbraw/zinc/09/78/93/1186097893.db2.gz IZFRMHDZNYVAFX-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCO1 ZINC001732998562 1186097901 /nfs/dbraw/zinc/09/79/01/1186097901.db2.gz IZFRMHDZNYVAFX-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001733351925 1186238064 /nfs/dbraw/zinc/23/80/64/1186238064.db2.gz PNTPIVJOQUWTKC-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CCO)CC1 ZINC001733370265 1186243128 /nfs/dbraw/zinc/24/31/28/1186243128.db2.gz WWJYACUIWQYLMB-UHFFFAOYSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001733374840 1186245774 /nfs/dbraw/zinc/24/57/74/1186245774.db2.gz BYWSOCBHOBRXSS-HZPDHXFCSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001733444743 1186272912 /nfs/dbraw/zinc/27/29/12/1186272912.db2.gz FHOWCTOYPPVHSF-RHSMWYFYSA-N 2 1 322.453 0.069 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001733498757 1186308206 /nfs/dbraw/zinc/30/82/06/1186308206.db2.gz JRJFRUIAASGIEY-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001733498757 1186308213 /nfs/dbraw/zinc/30/82/13/1186308213.db2.gz JRJFRUIAASGIEY-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001733618171 1186370786 /nfs/dbraw/zinc/37/07/86/1186370786.db2.gz LFMPJKRZJFDLFY-INIZCTEOSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001733831862 1186467017 /nfs/dbraw/zinc/46/70/17/1186467017.db2.gz HWMWYWPWTQWZBC-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001734054207 1186532749 /nfs/dbraw/zinc/53/27/49/1186532749.db2.gz SAEGWWJRJIQMDC-CYBMUJFWSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001734054207 1186532755 /nfs/dbraw/zinc/53/27/55/1186532755.db2.gz SAEGWWJRJIQMDC-CYBMUJFWSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001734172548 1186568156 /nfs/dbraw/zinc/56/81/56/1186568156.db2.gz CZCJQWBJJGKWEX-VQHPVUNQSA-N 2 1 319.449 0.272 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001752329880 1188413817 /nfs/dbraw/zinc/41/38/17/1188413817.db2.gz GEPCIGNRQGSMRI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001752329880 1188413819 /nfs/dbraw/zinc/41/38/19/1188413819.db2.gz GEPCIGNRQGSMRI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001752329880 1188413820 /nfs/dbraw/zinc/41/38/20/1188413820.db2.gz GEPCIGNRQGSMRI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001752329880 1188413822 /nfs/dbraw/zinc/41/38/22/1188413822.db2.gz GEPCIGNRQGSMRI-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001752733607 1188436031 /nfs/dbraw/zinc/43/60/31/1188436031.db2.gz USAPJHKVLZEYNH-ZNMIVQPWSA-N 2 1 322.453 0.400 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001753349041 1188571296 /nfs/dbraw/zinc/57/12/96/1188571296.db2.gz HQXRKZBQETUWES-BRWVUGGUSA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001753349041 1188571298 /nfs/dbraw/zinc/57/12/98/1188571298.db2.gz HQXRKZBQETUWES-BRWVUGGUSA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001753349041 1188571299 /nfs/dbraw/zinc/57/12/99/1188571299.db2.gz HQXRKZBQETUWES-BRWVUGGUSA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753352007 1188572013 /nfs/dbraw/zinc/57/20/13/1188572013.db2.gz JBCPKOPPZVGIOR-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001753623171 1188625746 /nfs/dbraw/zinc/62/57/46/1188625746.db2.gz WMVJBKPOSIZMQM-ZDUSSCGKSA-N 2 1 322.409 0.342 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001754103499 1188740400 /nfs/dbraw/zinc/74/04/00/1188740400.db2.gz KUFNZWPYMPGTEJ-WFVIONGDSA-N 2 1 320.437 0.130 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001754849196 1188947511 /nfs/dbraw/zinc/94/75/11/1188947511.db2.gz KPGXWWZHXQGCEQ-QGZVFWFLSA-N 2 1 320.481 0.664 20 30 DCEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001754979361 1188985857 /nfs/dbraw/zinc/98/58/57/1188985857.db2.gz NDNNOBHMPVMWQP-CQSZACIVSA-N 2 1 311.426 0.148 20 30 DCEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001754979361 1188985859 /nfs/dbraw/zinc/98/58/59/1188985859.db2.gz NDNNOBHMPVMWQP-CQSZACIVSA-N 2 1 311.426 0.148 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001755019385 1188998650 /nfs/dbraw/zinc/99/86/50/1188998650.db2.gz KNVMRYKGXMQUIN-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001755019385 1188998652 /nfs/dbraw/zinc/99/86/52/1188998652.db2.gz KNVMRYKGXMQUIN-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138501 1189033922 /nfs/dbraw/zinc/03/39/22/1189033922.db2.gz BDOCWIZBCMURGP-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001755138501 1189033927 /nfs/dbraw/zinc/03/39/27/1189033927.db2.gz BDOCWIZBCMURGP-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001755138501 1189033931 /nfs/dbraw/zinc/03/39/31/1189033931.db2.gz BDOCWIZBCMURGP-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001755211335 1189056204 /nfs/dbraw/zinc/05/62/04/1189056204.db2.gz PMUYXTLJNFHIES-PRLABOORSA-N 2 1 307.438 0.461 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001755721578 1189193802 /nfs/dbraw/zinc/19/38/02/1189193802.db2.gz LFINHSHBDZFCKN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001755721578 1189193804 /nfs/dbraw/zinc/19/38/04/1189193804.db2.gz LFINHSHBDZFCKN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755801208 1189222695 /nfs/dbraw/zinc/22/26/95/1189222695.db2.gz WQVVZVYTJZWQJY-HOTGVXAUSA-N 2 1 307.438 0.103 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@H]3C2)CC1 ZINC001042367458 751603369 /nfs/dbraw/zinc/60/33/69/751603369.db2.gz HSFFPDTWCJJJLX-WBVHZDCISA-N 2 1 319.449 0.247 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127680263 751624854 /nfs/dbraw/zinc/62/48/54/751624854.db2.gz UWUNFYIJFQMWPY-CYBMUJFWSA-N 2 1 321.425 0.405 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)[NH+](C)C)nn2)C1 ZINC001107182747 751934090 /nfs/dbraw/zinc/93/40/90/751934090.db2.gz ZIPZYGUKAHFTSC-OAHLLOKOSA-N 2 1 320.441 0.667 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001098572384 747446357 /nfs/dbraw/zinc/44/63/57/747446357.db2.gz FNJNZOURYOLORG-UHFFFAOYSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572384 747446359 /nfs/dbraw/zinc/44/63/59/747446359.db2.gz FNJNZOURYOLORG-UHFFFAOYSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572384 747446363 /nfs/dbraw/zinc/44/63/63/747446363.db2.gz FNJNZOURYOLORG-UHFFFAOYSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622593 748999197 /nfs/dbraw/zinc/99/91/97/748999197.db2.gz VRYRHHUBEJEMCQ-QKPAOTATSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622593 748999203 /nfs/dbraw/zinc/99/92/03/748999203.db2.gz VRYRHHUBEJEMCQ-QKPAOTATSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622593 748999209 /nfs/dbraw/zinc/99/92/09/748999209.db2.gz VRYRHHUBEJEMCQ-QKPAOTATSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622593 748999215 /nfs/dbraw/zinc/99/92/15/748999215.db2.gz VRYRHHUBEJEMCQ-QKPAOTATSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107949941 752584743 /nfs/dbraw/zinc/58/47/43/752584743.db2.gz VQVVCRDKZXIOTE-FUHWJXTLSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107949941 752584747 /nfs/dbraw/zinc/58/47/47/752584747.db2.gz VQVVCRDKZXIOTE-FUHWJXTLSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@H]2O)CC1 ZINC001078226984 753122030 /nfs/dbraw/zinc/12/20/30/753122030.db2.gz CSYXNKLDUQAPFT-IAGOWNOFSA-N 2 1 319.449 0.293 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533863 753230199 /nfs/dbraw/zinc/23/01/99/753230199.db2.gz ZKNODZFWBLSKOY-HNNXBMFYSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533863 753230205 /nfs/dbraw/zinc/23/02/05/753230205.db2.gz ZKNODZFWBLSKOY-HNNXBMFYSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500714 753752932 /nfs/dbraw/zinc/75/29/32/753752932.db2.gz DAJOZJSIYNNGNZ-OBKBAYEDSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046500714 753752937 /nfs/dbraw/zinc/75/29/37/753752937.db2.gz DAJOZJSIYNNGNZ-OBKBAYEDSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046500714 753752939 /nfs/dbraw/zinc/75/29/39/753752939.db2.gz DAJOZJSIYNNGNZ-OBKBAYEDSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001047553494 754386295 /nfs/dbraw/zinc/38/62/95/754386295.db2.gz IWPUEZXHPWZLEG-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001047553494 754386299 /nfs/dbraw/zinc/38/62/99/754386299.db2.gz IWPUEZXHPWZLEG-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553494 754386302 /nfs/dbraw/zinc/38/63/02/754386302.db2.gz IWPUEZXHPWZLEG-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553494 754386306 /nfs/dbraw/zinc/38/63/06/754386306.db2.gz IWPUEZXHPWZLEG-JYJNAYRXSA-N 2 1 309.454 0.939 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108163433 754487705 /nfs/dbraw/zinc/48/77/05/754487705.db2.gz IPTXHQWWDJCPDE-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108163433 754487707 /nfs/dbraw/zinc/48/77/07/754487707.db2.gz IPTXHQWWDJCPDE-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890105 754999989 /nfs/dbraw/zinc/99/99/89/754999989.db2.gz DURGMPHXNCJCIC-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890105 754999992 /nfs/dbraw/zinc/99/99/92/754999992.db2.gz DURGMPHXNCJCIC-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890105 754999997 /nfs/dbraw/zinc/99/99/97/754999997.db2.gz DURGMPHXNCJCIC-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890105 754999999 /nfs/dbraw/zinc/99/99/99/754999999.db2.gz DURGMPHXNCJCIC-LVQVYYBASA-N 2 1 305.422 0.119 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049392304 755247247 /nfs/dbraw/zinc/24/72/47/755247247.db2.gz XNWLBVBMMKJFCK-OAGGEKHMSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049547452 755309411 /nfs/dbraw/zinc/30/94/11/755309411.db2.gz DXOBRRAWUDGMAM-QKPAOTATSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049547452 755309413 /nfs/dbraw/zinc/30/94/13/755309413.db2.gz DXOBRRAWUDGMAM-QKPAOTATSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547452 755309417 /nfs/dbraw/zinc/30/94/17/755309417.db2.gz DXOBRRAWUDGMAM-QKPAOTATSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547452 755309421 /nfs/dbraw/zinc/30/94/21/755309421.db2.gz DXOBRRAWUDGMAM-QKPAOTATSA-N 2 1 307.438 0.957 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001049903190 755441028 /nfs/dbraw/zinc/44/10/28/755441028.db2.gz WMELZDADJRVYAD-BRWVUGGUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001049903190 755441030 /nfs/dbraw/zinc/44/10/30/755441030.db2.gz WMELZDADJRVYAD-BRWVUGGUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001049903199 755441527 /nfs/dbraw/zinc/44/15/27/755441527.db2.gz WMELZDADJRVYAD-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001049903199 755441530 /nfs/dbraw/zinc/44/15/30/755441530.db2.gz WMELZDADJRVYAD-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908775 755449541 /nfs/dbraw/zinc/44/95/41/755449541.db2.gz WHGJTLRWWUXMBB-CVEARBPZSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079843644 756022888 /nfs/dbraw/zinc/02/28/88/756022888.db2.gz CJUBWOMFBPSZJV-DJIMGWMZSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079843644 756022893 /nfs/dbraw/zinc/02/28/93/756022893.db2.gz CJUBWOMFBPSZJV-DJIMGWMZSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001079843644 756022901 /nfs/dbraw/zinc/02/29/01/756022901.db2.gz CJUBWOMFBPSZJV-DJIMGWMZSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001079843644 756022905 /nfs/dbraw/zinc/02/29/05/756022905.db2.gz CJUBWOMFBPSZJV-DJIMGWMZSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCC[C@H](C)O)CC2)CC1 ZINC001113677717 762463557 /nfs/dbraw/zinc/46/35/57/762463557.db2.gz KQEWVVVDJCHIJE-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001054243393 756415251 /nfs/dbraw/zinc/41/52/51/756415251.db2.gz GXPJHQJDTUFPJY-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001054243393 756415255 /nfs/dbraw/zinc/41/52/55/756415255.db2.gz GXPJHQJDTUFPJY-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001054243393 756415259 /nfs/dbraw/zinc/41/52/59/756415259.db2.gz GXPJHQJDTUFPJY-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001054243393 756415262 /nfs/dbraw/zinc/41/52/62/756415262.db2.gz GXPJHQJDTUFPJY-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCOCC)CC2)CC1 ZINC001113682581 762470537 /nfs/dbraw/zinc/47/05/37/762470537.db2.gz IVFGSYIWHRLLCK-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082558126 757187021 /nfs/dbraw/zinc/18/70/21/757187021.db2.gz AJUPBCJMGMLBRZ-KFWWJZLASA-N 2 1 305.426 0.436 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001090380889 757271858 /nfs/dbraw/zinc/27/18/58/757271858.db2.gz HGOBMJYABWZAKX-CVEARBPZSA-N 2 1 314.389 0.994 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164339 757439630 /nfs/dbraw/zinc/43/96/30/757439630.db2.gz DGEZBMCZAYSEPH-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164339 757439637 /nfs/dbraw/zinc/43/96/37/757439637.db2.gz DGEZBMCZAYSEPH-JKSUJKDBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2O)CC1 ZINC001084088022 757667452 /nfs/dbraw/zinc/66/74/52/757667452.db2.gz MIATVDUVFXRBRN-UAGQMJEPSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525942 757796424 /nfs/dbraw/zinc/79/64/24/757796424.db2.gz ORBHEMUWBXJCSK-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050760951 758036566 /nfs/dbraw/zinc/03/65/66/758036566.db2.gz AZLYSUDYGBGYFB-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050760951 758036577 /nfs/dbraw/zinc/03/65/77/758036577.db2.gz AZLYSUDYGBGYFB-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834375 758072683 /nfs/dbraw/zinc/07/26/83/758072683.db2.gz XTXYMAVCNYOPRR-BZUAXINKSA-N 2 1 307.438 0.673 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969935 758147742 /nfs/dbraw/zinc/14/77/42/758147742.db2.gz FYYLDDRGPBWIHH-LVQVYYBASA-N 2 1 305.422 0.262 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969935 758147748 /nfs/dbraw/zinc/14/77/48/758147748.db2.gz FYYLDDRGPBWIHH-LVQVYYBASA-N 2 1 305.422 0.262 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969935 758147754 /nfs/dbraw/zinc/14/77/54/758147754.db2.gz FYYLDDRGPBWIHH-LVQVYYBASA-N 2 1 305.422 0.262 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084969935 758147759 /nfs/dbraw/zinc/14/77/59/758147759.db2.gz FYYLDDRGPBWIHH-LVQVYYBASA-N 2 1 305.422 0.262 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001098447095 762675824 /nfs/dbraw/zinc/67/58/24/762675824.db2.gz YTAGYZODNSFWSR-WCVJEAGWSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001098447095 762675829 /nfs/dbraw/zinc/67/58/29/762675829.db2.gz YTAGYZODNSFWSR-WCVJEAGWSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001098447095 762675835 /nfs/dbraw/zinc/67/58/35/762675835.db2.gz YTAGYZODNSFWSR-WCVJEAGWSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001098447095 762675840 /nfs/dbraw/zinc/67/58/40/762675840.db2.gz YTAGYZODNSFWSR-WCVJEAGWSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052072981 759158511 /nfs/dbraw/zinc/15/85/11/759158511.db2.gz DVMFFABCALIDGX-QGZVFWFLSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866268 759404545 /nfs/dbraw/zinc/40/45/45/759404545.db2.gz DFROGVFHQCTHJR-INIZCTEOSA-N 2 1 317.437 0.614 20 30 DCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086431685 760182634 /nfs/dbraw/zinc/18/26/34/760182634.db2.gz AAYGSDSLKVUAEJ-MLURZJSDSA-N 2 1 305.422 0.520 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161336 767926975 /nfs/dbraw/zinc/92/69/75/767926975.db2.gz UEALEYSVNRYBLK-UHFFFAOYSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001086516572 760310391 /nfs/dbraw/zinc/31/03/91/760310391.db2.gz VYBSTSWZVBPOQY-CTYIDZIISA-N 2 1 309.373 0.999 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343711 760417694 /nfs/dbraw/zinc/41/76/94/760417694.db2.gz YBNGMOZDQVYIMF-INIZCTEOSA-N 2 1 313.442 0.348 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343711 760417700 /nfs/dbraw/zinc/41/77/00/760417700.db2.gz YBNGMOZDQVYIMF-INIZCTEOSA-N 2 1 313.442 0.348 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292889 767959793 /nfs/dbraw/zinc/95/97/93/767959793.db2.gz YXTWZAVXJPIAAT-HZPDHXFCSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292889 767959799 /nfs/dbraw/zinc/95/97/99/767959799.db2.gz YXTWZAVXJPIAAT-HZPDHXFCSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292889 767959804 /nfs/dbraw/zinc/95/98/04/767959804.db2.gz YXTWZAVXJPIAAT-HZPDHXFCSA-N 2 1 321.465 0.921 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169808051 760867753 /nfs/dbraw/zinc/86/77/53/760867753.db2.gz AXULEXNOZMCOBC-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241365 761732971 /nfs/dbraw/zinc/73/29/71/761732971.db2.gz SVWKGUMJCNKWHZ-AEFFLSMTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547530 762896552 /nfs/dbraw/zinc/89/65/52/762896552.db2.gz HEFUJMCHLYPXTR-NXOAAHMSSA-N 2 1 319.449 0.367 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129410172 762931116 /nfs/dbraw/zinc/93/11/16/762931116.db2.gz FHUXZOBTCITQPF-AWEZNQCLSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001129770384 763006763 /nfs/dbraw/zinc/00/67/63/763006763.db2.gz FHEVIBCKAKNCJS-NEPJUHHUSA-N 2 1 321.343 0.103 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001129770384 763006764 /nfs/dbraw/zinc/00/67/64/763006764.db2.gz FHEVIBCKAKNCJS-NEPJUHHUSA-N 2 1 321.343 0.103 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)nc1 ZINC001129774820 763010671 /nfs/dbraw/zinc/01/06/71/763010671.db2.gz GNHJYRWYTHSCCB-HNNXBMFYSA-N 2 1 316.405 0.394 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)nc1 ZINC001129774820 763010676 /nfs/dbraw/zinc/01/06/76/763010676.db2.gz GNHJYRWYTHSCCB-HNNXBMFYSA-N 2 1 316.405 0.394 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938441 763142694 /nfs/dbraw/zinc/14/26/94/763142694.db2.gz WASNFCGTOLVUEP-HZPDHXFCSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130719407 763457997 /nfs/dbraw/zinc/45/79/97/763457997.db2.gz OIUDXBHZSCXILU-GOEBONIOSA-N 2 1 317.437 0.279 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc(C)nc(C)n1 ZINC001100388319 763539187 /nfs/dbraw/zinc/53/91/87/763539187.db2.gz IKXQSDYJVLYMLD-HNNXBMFYSA-N 2 1 315.421 0.743 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815584 764344756 /nfs/dbraw/zinc/34/47/56/764344756.db2.gz LTSWWBIGAKGHSU-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815584 764344760 /nfs/dbraw/zinc/34/47/60/764344760.db2.gz LTSWWBIGAKGHSU-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815584 764344764 /nfs/dbraw/zinc/34/47/64/764344764.db2.gz LTSWWBIGAKGHSU-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132359785 764415928 /nfs/dbraw/zinc/41/59/28/764415928.db2.gz OKCFHVYLDPUISV-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132359785 764415936 /nfs/dbraw/zinc/41/59/36/764415936.db2.gz OKCFHVYLDPUISV-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CCN1C[C@@H](NC(=O)Cc2cncn2C)CC[C@H]1C ZINC001132425944 764453502 /nfs/dbraw/zinc/45/35/02/764453502.db2.gz PIOZPUOAHOUVCD-CABCVRRESA-N 2 1 318.421 0.582 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2)C1 ZINC001112021325 765450628 /nfs/dbraw/zinc/45/06/28/765450628.db2.gz HFXXPWRDXGCUHX-RDJZCZTQSA-N 2 1 316.405 0.504 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001115154094 765611454 /nfs/dbraw/zinc/61/14/54/765611454.db2.gz DRPIKFJQKAEVPN-QLPKVWCKSA-N 2 1 307.438 0.415 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001115154094 765611458 /nfs/dbraw/zinc/61/14/58/765611458.db2.gz DRPIKFJQKAEVPN-QLPKVWCKSA-N 2 1 307.438 0.415 20 30 DCEDMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001115154094 765611461 /nfs/dbraw/zinc/61/14/61/765611461.db2.gz DRPIKFJQKAEVPN-QLPKVWCKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134766258 765660705 /nfs/dbraw/zinc/66/07/05/765660705.db2.gz FTFRQHWTGKARSZ-HUUCEWRRSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976212 766197992 /nfs/dbraw/zinc/19/79/92/766197992.db2.gz HWSSNVSISJADCX-UONOGXRCSA-N 2 1 312.458 0.503 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090671032 766452284 /nfs/dbraw/zinc/45/22/84/766452284.db2.gz FUXXYSYGUFDVMM-HOTGVXAUSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691722 766480529 /nfs/dbraw/zinc/48/05/29/766480529.db2.gz ICKVVIQPDMAZQR-HOTGVXAUSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC001090830329 766647749 /nfs/dbraw/zinc/64/77/49/766647749.db2.gz LKZJRZRKDJBJGF-IAGOWNOFSA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC001090830329 766647757 /nfs/dbraw/zinc/64/77/57/766647757.db2.gz LKZJRZRKDJBJGF-IAGOWNOFSA-N 2 1 315.417 0.546 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147297543 767696492 /nfs/dbraw/zinc/69/64/92/767696492.db2.gz MBSKBNWUWVUHTA-HNNXBMFYSA-N 2 1 323.437 0.054 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147297543 767696486 /nfs/dbraw/zinc/69/64/86/767696486.db2.gz MBSKBNWUWVUHTA-HNNXBMFYSA-N 2 1 323.437 0.054 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147297543 767696489 /nfs/dbraw/zinc/69/64/89/767696489.db2.gz MBSKBNWUWVUHTA-HNNXBMFYSA-N 2 1 323.437 0.054 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147297543 767696494 /nfs/dbraw/zinc/69/64/94/767696494.db2.gz MBSKBNWUWVUHTA-HNNXBMFYSA-N 2 1 323.437 0.054 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150299209 769060788 /nfs/dbraw/zinc/06/07/88/769060788.db2.gz MFRRTZREQYYAKD-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150299209 769060796 /nfs/dbraw/zinc/06/07/96/769060796.db2.gz MFRRTZREQYYAKD-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110160473 769144054 /nfs/dbraw/zinc/14/40/54/769144054.db2.gz QGBOBSMNHLTJPH-ILXRZTDVSA-N 2 1 322.453 0.350 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151141664 769271382 /nfs/dbraw/zinc/27/13/82/769271382.db2.gz XVVNHSFSBNLSIH-UHFFFAOYSA-N 2 1 301.188 0.806 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147001 769272898 /nfs/dbraw/zinc/27/28/98/769272898.db2.gz CRGSJJNXJYRZLW-UHFFFAOYSA-N 2 1 321.425 0.322 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cc(OC)no2)CC1 ZINC001152331057 769529343 /nfs/dbraw/zinc/52/93/43/769529343.db2.gz ZJKOCQHXABKSCK-UHFFFAOYSA-N 2 1 320.393 0.234 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154012699 770040492 /nfs/dbraw/zinc/04/04/92/770040492.db2.gz KPEVGTNKJYKDEP-ZIAGYGMSSA-N 2 1 312.458 0.455 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154012699 770040508 /nfs/dbraw/zinc/04/05/08/770040508.db2.gz KPEVGTNKJYKDEP-ZIAGYGMSSA-N 2 1 312.458 0.455 20 30 DCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176686142 770153936 /nfs/dbraw/zinc/15/39/36/770153936.db2.gz RHDQQFUVQWYSNK-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176686142 770153939 /nfs/dbraw/zinc/15/39/39/770153939.db2.gz RHDQQFUVQWYSNK-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001156144513 770729934 /nfs/dbraw/zinc/72/99/34/770729934.db2.gz DQKZOEMSRHAIRE-INIZCTEOSA-N 2 1 316.405 0.485 20 30 DCEDMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001156144513 770729935 /nfs/dbraw/zinc/72/99/35/770729935.db2.gz DQKZOEMSRHAIRE-INIZCTEOSA-N 2 1 316.405 0.485 20 30 DCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001179080582 770945261 /nfs/dbraw/zinc/94/52/61/770945261.db2.gz FKBFKTYQHIHMEP-PQUAAJSLSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156908406 770961872 /nfs/dbraw/zinc/96/18/72/770961872.db2.gz WYLQTZSAZHIWDF-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001179371139 770999843 /nfs/dbraw/zinc/99/98/43/770999843.db2.gz KDJSOCAEXSPHPX-INIZCTEOSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180265536 771089329 /nfs/dbraw/zinc/08/93/29/771089329.db2.gz UVHXNVWHSXCMRX-INIZCTEOSA-N 2 1 309.454 0.854 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCCO)CC1 ZINC001157092416 771532404 /nfs/dbraw/zinc/53/24/04/771532404.db2.gz XCXFVJMYOVXMPS-OAHLLOKOSA-N 2 1 309.454 0.541 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001183040351 771596085 /nfs/dbraw/zinc/59/60/85/771596085.db2.gz PMIDOVOGMDFSMK-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC(C)C)C1 ZINC001183353892 771637466 /nfs/dbraw/zinc/63/74/66/771637466.db2.gz GFOODNMJLOVHFF-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC(C)C)C1 ZINC001183353892 771637469 /nfs/dbraw/zinc/63/74/69/771637469.db2.gz GFOODNMJLOVHFF-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC12CCOCC2 ZINC001186311010 772031003 /nfs/dbraw/zinc/03/10/03/772031003.db2.gz PONLROIACXBXTP-HOTGVXAUSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305110 772171995 /nfs/dbraw/zinc/17/19/95/772171995.db2.gz RLXFPMNCHRJORF-ARFHVFGLSA-N 2 1 305.422 0.263 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305110 772171999 /nfs/dbraw/zinc/17/19/99/772171999.db2.gz RLXFPMNCHRJORF-ARFHVFGLSA-N 2 1 305.422 0.263 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305110 772172002 /nfs/dbraw/zinc/17/20/02/772172002.db2.gz RLXFPMNCHRJORF-ARFHVFGLSA-N 2 1 305.422 0.263 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305110 772172006 /nfs/dbraw/zinc/17/20/06/772172006.db2.gz RLXFPMNCHRJORF-ARFHVFGLSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171084 772335605 /nfs/dbraw/zinc/33/56/05/772335605.db2.gz IELUATZKHDETOF-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964205 772392867 /nfs/dbraw/zinc/39/28/67/772392867.db2.gz ZMVKHIWLUQLNSC-JKSUJKDBSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162603959 772396491 /nfs/dbraw/zinc/39/64/91/772396491.db2.gz FEDHORXJUGEGPK-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675576 772662746 /nfs/dbraw/zinc/66/27/46/772662746.db2.gz REJDOXVHGINEDE-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675576 772662748 /nfs/dbraw/zinc/66/27/48/772662748.db2.gz REJDOXVHGINEDE-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675576 772662750 /nfs/dbraw/zinc/66/27/50/772662750.db2.gz REJDOXVHGINEDE-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001190723076 772668544 /nfs/dbraw/zinc/66/85/44/772668544.db2.gz HIIMRIDAWNFINM-SJORKVTESA-N 2 1 317.433 0.267 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001190723076 772668547 /nfs/dbraw/zinc/66/85/47/772668547.db2.gz HIIMRIDAWNFINM-SJORKVTESA-N 2 1 317.433 0.267 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001190723076 772668548 /nfs/dbraw/zinc/66/85/48/772668548.db2.gz HIIMRIDAWNFINM-SJORKVTESA-N 2 1 317.433 0.267 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001190723076 772668553 /nfs/dbraw/zinc/66/85/53/772668553.db2.gz HIIMRIDAWNFINM-SJORKVTESA-N 2 1 317.433 0.267 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430195 772767072 /nfs/dbraw/zinc/76/70/72/772767072.db2.gz CCJVWPJZHMVKSM-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001191430195 772767073 /nfs/dbraw/zinc/76/70/73/772767073.db2.gz CCJVWPJZHMVKSM-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001191430195 772767075 /nfs/dbraw/zinc/76/70/75/772767075.db2.gz CCJVWPJZHMVKSM-LPMVOBIJSA-N 2 1 317.433 0.406 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1=O ZINC001166627063 772831129 /nfs/dbraw/zinc/83/11/29/772831129.db2.gz PALYLVTUWZJNQM-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001205344187 772988328 /nfs/dbraw/zinc/98/83/28/772988328.db2.gz CKGZOKAJHLQXER-CVEARBPZSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193446959 773061225 /nfs/dbraw/zinc/06/12/25/773061225.db2.gz FKKOOFVSHGNHOT-MGPQQGTHSA-N 2 1 301.406 0.404 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001193912337 773128593 /nfs/dbraw/zinc/12/85/93/773128593.db2.gz WTBXLOFXTSSQMC-QHSBEEBCSA-N 2 1 304.394 0.641 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001193912337 773128595 /nfs/dbraw/zinc/12/85/95/773128595.db2.gz WTBXLOFXTSSQMC-QHSBEEBCSA-N 2 1 304.394 0.641 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001193912337 773128597 /nfs/dbraw/zinc/12/85/97/773128597.db2.gz WTBXLOFXTSSQMC-QHSBEEBCSA-N 2 1 304.394 0.641 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290212 773178428 /nfs/dbraw/zinc/17/84/28/773178428.db2.gz RCDKNTYDDHRUOS-HUUCEWRRSA-N 2 1 304.394 0.255 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290212 773178430 /nfs/dbraw/zinc/17/84/30/773178430.db2.gz RCDKNTYDDHRUOS-HUUCEWRRSA-N 2 1 304.394 0.255 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720592 773248215 /nfs/dbraw/zinc/24/82/15/773248215.db2.gz KXQOIAZPKILNRP-BPLDGKMQSA-N 2 1 306.410 0.708 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720592 773248220 /nfs/dbraw/zinc/24/82/20/773248220.db2.gz KXQOIAZPKILNRP-BPLDGKMQSA-N 2 1 306.410 0.708 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001208352388 773440575 /nfs/dbraw/zinc/44/05/75/773440575.db2.gz DDSUKLLXHDAXGA-IRXDYDNUSA-N 2 1 317.433 0.314 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001208352388 773440579 /nfs/dbraw/zinc/44/05/79/773440579.db2.gz DDSUKLLXHDAXGA-IRXDYDNUSA-N 2 1 317.433 0.314 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208454323 773467253 /nfs/dbraw/zinc/46/72/53/773467253.db2.gz VAEOMCLKFBKRLS-AWEZNQCLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001208494143 773477466 /nfs/dbraw/zinc/47/74/66/773477466.db2.gz HSJFLLQJEKIYMU-KFWWJZLASA-N 2 1 322.453 0.162 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208739197 773523087 /nfs/dbraw/zinc/52/30/87/773523087.db2.gz PWJJECNCTORVQE-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCCC[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001209267289 773577232 /nfs/dbraw/zinc/57/72/32/773577232.db2.gz NTBWHAFVMCWZQP-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209633360 773627606 /nfs/dbraw/zinc/62/76/06/773627606.db2.gz SWZHTSXFUQPLLN-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211267836 773787613 /nfs/dbraw/zinc/78/76/13/773787613.db2.gz DNIDXBMKGHTVMV-CQSZACIVSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199097075 774029273 /nfs/dbraw/zinc/02/92/73/774029273.db2.gz VNRFWWGCTLFHKM-ZACQAIPSSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199097075 774029277 /nfs/dbraw/zinc/02/92/77/774029277.db2.gz VNRFWWGCTLFHKM-ZACQAIPSSA-N 2 1 321.465 0.682 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393061 774068872 /nfs/dbraw/zinc/06/88/72/774068872.db2.gz MQDBGRDKUPRLGS-OAGGEKHMSA-N 2 1 307.438 0.555 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393061 774068877 /nfs/dbraw/zinc/06/88/77/774068877.db2.gz MQDBGRDKUPRLGS-OAGGEKHMSA-N 2 1 307.438 0.555 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370605 774099236 /nfs/dbraw/zinc/09/92/36/774099236.db2.gz ZYTRFNBSDDMDLY-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001217533103 774182120 /nfs/dbraw/zinc/18/21/20/774182120.db2.gz RLFKXGCYJJGMMW-OWCLPIDISA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001217533103 774182124 /nfs/dbraw/zinc/18/21/24/774182124.db2.gz RLFKXGCYJJGMMW-OWCLPIDISA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001217533103 774182129 /nfs/dbraw/zinc/18/21/29/774182129.db2.gz RLFKXGCYJJGMMW-OWCLPIDISA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001217533103 774182134 /nfs/dbraw/zinc/18/21/34/774182134.db2.gz RLFKXGCYJJGMMW-OWCLPIDISA-N 2 1 323.437 0.195 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182846 774292246 /nfs/dbraw/zinc/29/22/46/774292246.db2.gz UUEQERFVLTUAPN-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182846 774292252 /nfs/dbraw/zinc/29/22/52/774292252.db2.gz UUEQERFVLTUAPN-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001219032290 774351272 /nfs/dbraw/zinc/35/12/72/774351272.db2.gz ZDODMQCKSKFYMH-HRCADAONSA-N 2 1 323.437 0.052 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032290 774351281 /nfs/dbraw/zinc/35/12/81/774351281.db2.gz ZDODMQCKSKFYMH-HRCADAONSA-N 2 1 323.437 0.052 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001219032290 774351289 /nfs/dbraw/zinc/35/12/89/774351289.db2.gz ZDODMQCKSKFYMH-HRCADAONSA-N 2 1 323.437 0.052 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200553865 774361791 /nfs/dbraw/zinc/36/17/91/774361791.db2.gz BHAMQEVINJOPRB-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCC=C)C1 ZINC001200720824 774398178 /nfs/dbraw/zinc/39/81/78/774398178.db2.gz DHVOMXIENFCFMX-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCC=C)C1 ZINC001200720824 774398186 /nfs/dbraw/zinc/39/81/86/774398186.db2.gz DHVOMXIENFCFMX-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCO1 ZINC001201226473 774467315 /nfs/dbraw/zinc/46/73/15/774467315.db2.gz YMSDMELSVBMGEC-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCCO1 ZINC001201402311 774501160 /nfs/dbraw/zinc/50/11/60/774501160.db2.gz CHFAIFYBUGYSJP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001202496765 774729612 /nfs/dbraw/zinc/72/96/12/774729612.db2.gz XRFIVDZZHNAOFY-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220868786 774940093 /nfs/dbraw/zinc/94/00/93/774940093.db2.gz UMCFMXJEFNPQSQ-LSDHHAIUSA-N 3 1 306.454 0.627 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001220868886 774940143 /nfs/dbraw/zinc/94/01/43/774940143.db2.gz YGXUXLFGNNWKIC-KKUMJFAQSA-N 2 1 324.469 0.631 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110958976 775361463 /nfs/dbraw/zinc/36/14/63/775361463.db2.gz CEQLCIWMOUDJOM-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110958976 775361471 /nfs/dbraw/zinc/36/14/71/775361471.db2.gz CEQLCIWMOUDJOM-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226723587 775869550 /nfs/dbraw/zinc/86/95/50/775869550.db2.gz WJYYARMMZYCEPE-HNNXBMFYSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226723587 775869559 /nfs/dbraw/zinc/86/95/59/775869559.db2.gz WJYYARMMZYCEPE-HNNXBMFYSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227443874 775974480 /nfs/dbraw/zinc/97/44/80/775974480.db2.gz LTNWJMJETGSDNY-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227443874 775974486 /nfs/dbraw/zinc/97/44/86/775974486.db2.gz LTNWJMJETGSDNY-UKRRQHHQSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001227995783 776036686 /nfs/dbraw/zinc/03/66/86/776036686.db2.gz QGUJHZYTAVOHCA-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001227995783 776036691 /nfs/dbraw/zinc/03/66/91/776036691.db2.gz QGUJHZYTAVOHCA-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001229184996 776166683 /nfs/dbraw/zinc/16/66/83/776166683.db2.gz FPCANWSXNNMMSX-ZBFHGGJFSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230034657 776245832 /nfs/dbraw/zinc/24/58/32/776245832.db2.gz LCCOSWSMWXZJKT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215019 776265062 /nfs/dbraw/zinc/26/50/62/776265062.db2.gz CGNLJGZUZSOQJS-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215019 776265070 /nfs/dbraw/zinc/26/50/70/776265070.db2.gz CGNLJGZUZSOQJS-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CC(N)=O)CC3)cc1C#N ZINC001277982381 945079905 /nfs/dbraw/zinc/07/99/05/945079905.db2.gz WWIKIELGDYJNBR-UHFFFAOYSA-N 2 1 315.421 0.670 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001317684355 945164296 /nfs/dbraw/zinc/16/42/96/945164296.db2.gz XYSQSUDAOYGKAK-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001317684355 945164300 /nfs/dbraw/zinc/16/43/00/945164300.db2.gz XYSQSUDAOYGKAK-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001317684355 945164308 /nfs/dbraw/zinc/16/43/08/945164308.db2.gz XYSQSUDAOYGKAK-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCO)CC1 ZINC001278176863 945167720 /nfs/dbraw/zinc/16/77/20/945167720.db2.gz CIWQRTWDJKZUGP-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001266347937 939086890 /nfs/dbraw/zinc/08/68/90/939086890.db2.gz TXKDVKAHSPBJNW-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)CN(CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266411511 939109613 /nfs/dbraw/zinc/10/96/13/939109613.db2.gz XVTIDFTVUWBZKO-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)CN(CC)CCNC(=O)[C@@H]1CCCCN1C ZINC001266411511 939109615 /nfs/dbraw/zinc/10/96/15/939109615.db2.gz XVTIDFTVUWBZKO-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCCO)C1 ZINC001266458996 939124262 /nfs/dbraw/zinc/12/42/62/939124262.db2.gz HUDCJSMOAJZSNW-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCCO)C1 ZINC001266458996 939124265 /nfs/dbraw/zinc/12/42/65/939124265.db2.gz HUDCJSMOAJZSNW-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCCO)C1 ZINC001266458996 939124268 /nfs/dbraw/zinc/12/42/68/939124268.db2.gz HUDCJSMOAJZSNW-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCCO)C1 ZINC001266458996 939124273 /nfs/dbraw/zinc/12/42/73/939124273.db2.gz HUDCJSMOAJZSNW-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCCO)C1 ZINC001266458996 939124276 /nfs/dbraw/zinc/12/42/76/939124276.db2.gz HUDCJSMOAJZSNW-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001278349568 945235290 /nfs/dbraw/zinc/23/52/90/945235290.db2.gz IYKMKGZUDWFCQP-QGZVFWFLSA-N 2 1 320.481 0.568 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001278349568 945235295 /nfs/dbraw/zinc/23/52/95/945235295.db2.gz IYKMKGZUDWFCQP-QGZVFWFLSA-N 2 1 320.481 0.568 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001278349568 945235302 /nfs/dbraw/zinc/23/53/02/945235302.db2.gz IYKMKGZUDWFCQP-QGZVFWFLSA-N 2 1 320.481 0.568 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266751148 939230026 /nfs/dbraw/zinc/23/00/26/939230026.db2.gz CGTZECOVFOGJDT-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266883991 939265437 /nfs/dbraw/zinc/26/54/37/939265437.db2.gz JGJUGPQBTDVSRT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266883991 939265440 /nfs/dbraw/zinc/26/54/40/939265440.db2.gz JGJUGPQBTDVSRT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001279531032 939265952 /nfs/dbraw/zinc/26/59/52/939265952.db2.gz YLKKIMQNMZKASB-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267071280 939331166 /nfs/dbraw/zinc/33/11/66/939331166.db2.gz UEZCJZRKRQOKBZ-HUUCEWRRSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267110754 939347666 /nfs/dbraw/zinc/34/76/66/939347666.db2.gz ICHSJSGPNMVIIT-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@H+](C)CC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001267602608 939545737 /nfs/dbraw/zinc/54/57/37/939545737.db2.gz HAAHMVSRLZDZBM-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001481069930 939547575 /nfs/dbraw/zinc/54/75/75/939547575.db2.gz DDHITQTXADLNTE-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481109527 939564113 /nfs/dbraw/zinc/56/41/13/939564113.db2.gz RGJKNGPXFMWLDH-HNNXBMFYSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCOC)CC1 ZINC001481682794 940032424 /nfs/dbraw/zinc/03/24/24/940032424.db2.gz IDBVMOHNWQOURK-IRXDYDNUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001318300290 945312913 /nfs/dbraw/zinc/31/29/13/945312913.db2.gz XNIHSQRGGSXNKH-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001318300290 945312919 /nfs/dbraw/zinc/31/29/19/945312919.db2.gz XNIHSQRGGSXNKH-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001318300290 945312929 /nfs/dbraw/zinc/31/29/29/945312929.db2.gz XNIHSQRGGSXNKH-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001318300290 945312938 /nfs/dbraw/zinc/31/29/38/945312938.db2.gz XNIHSQRGGSXNKH-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001318300290 945312948 /nfs/dbraw/zinc/31/29/48/945312948.db2.gz XNIHSQRGGSXNKH-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001269388134 940697769 /nfs/dbraw/zinc/69/77/69/940697769.db2.gz GOHGLVGUBDVGQY-KGLIPLIRSA-N 2 1 320.437 0.106 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001269428125 940705356 /nfs/dbraw/zinc/70/53/56/940705356.db2.gz HYKQTCJNWLFGIY-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001269428125 940705357 /nfs/dbraw/zinc/70/53/57/940705357.db2.gz HYKQTCJNWLFGIY-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001270193155 940853016 /nfs/dbraw/zinc/85/30/16/940853016.db2.gz HDYNKAYSQBTNSW-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001271017458 941241571 /nfs/dbraw/zinc/24/15/71/941241571.db2.gz QEJLLGUQSOGBAS-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001271017458 941241574 /nfs/dbraw/zinc/24/15/74/941241574.db2.gz QEJLLGUQSOGBAS-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001271017458 941241579 /nfs/dbraw/zinc/24/15/79/941241579.db2.gz QEJLLGUQSOGBAS-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001271017458 941241583 /nfs/dbraw/zinc/24/15/83/941241583.db2.gz QEJLLGUQSOGBAS-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001271209158 941322494 /nfs/dbraw/zinc/32/24/94/941322494.db2.gz MDWLIZWWWCPICA-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271209158 941322496 /nfs/dbraw/zinc/32/24/96/941322496.db2.gz MDWLIZWWWCPICA-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271209158 941322499 /nfs/dbraw/zinc/32/24/99/941322499.db2.gz MDWLIZWWWCPICA-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271956039 941491434 /nfs/dbraw/zinc/49/14/34/941491434.db2.gz AJMAUVJRCXLYEY-FUHWJXTLSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271956066 941491562 /nfs/dbraw/zinc/49/15/62/941491562.db2.gz ATSUAJYEFAISHC-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001271956066 941491563 /nfs/dbraw/zinc/49/15/63/941491563.db2.gz ATSUAJYEFAISHC-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001271956066 941491564 /nfs/dbraw/zinc/49/15/64/941491564.db2.gz ATSUAJYEFAISHC-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482611627 941591386 /nfs/dbraw/zinc/59/13/86/941591386.db2.gz XNISQELTYQVSMZ-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482611627 941591388 /nfs/dbraw/zinc/59/13/88/941591388.db2.gz XNISQELTYQVSMZ-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001272196128 941793400 /nfs/dbraw/zinc/79/34/00/941793400.db2.gz JDZGIDCQWVHLQO-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001496908226 942331300 /nfs/dbraw/zinc/33/13/00/942331300.db2.gz LZTWMPYKXQCACG-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484065199 943131738 /nfs/dbraw/zinc/13/17/38/943131738.db2.gz SMMAYJBQEJSPMB-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484065199 943131743 /nfs/dbraw/zinc/13/17/43/943131743.db2.gz SMMAYJBQEJSPMB-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484065199 943131747 /nfs/dbraw/zinc/13/17/47/943131747.db2.gz SMMAYJBQEJSPMB-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001484065199 943131750 /nfs/dbraw/zinc/13/17/50/943131750.db2.gz SMMAYJBQEJSPMB-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001484065199 943131756 /nfs/dbraw/zinc/13/17/56/943131756.db2.gz SMMAYJBQEJSPMB-PBHICJAKSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001491370893 943945620 /nfs/dbraw/zinc/94/56/20/943945620.db2.gz GCUURTZIGXFCIF-GTPINHCMSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCOCC1 ZINC001491487198 944037835 /nfs/dbraw/zinc/03/78/35/944037835.db2.gz WTPZFHHUNJZKIY-HOCLYGCPSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCOCC1 ZINC001491487198 944037843 /nfs/dbraw/zinc/03/78/43/944037843.db2.gz WTPZFHHUNJZKIY-HOCLYGCPSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001485767664 944126696 /nfs/dbraw/zinc/12/66/96/944126696.db2.gz XQRSSMYUHQJMCT-UHFFFAOYSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001485767664 944126699 /nfs/dbraw/zinc/12/66/99/944126699.db2.gz XQRSSMYUHQJMCT-UHFFFAOYSA-N 2 1 318.421 0.764 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317135899 944819446 /nfs/dbraw/zinc/81/94/46/944819446.db2.gz TZUIOTSNVIWMGL-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001486476924 944912691 /nfs/dbraw/zinc/91/26/91/944912691.db2.gz TUKYJGNCDWKVKA-NFOMZHRRSA-N 2 1 322.453 0.209 20 30 DCEDMP CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCN[C@H](C#N)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246683858 945460120 /nfs/dbraw/zinc/46/01/20/945460120.db2.gz UXYODPDRXYKMTN-MPTYRVRUSA-N 2 1 320.437 0.495 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001319707999 945650261 /nfs/dbraw/zinc/65/02/61/945650261.db2.gz JTGVUMITGAQCMH-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC#Cc2ccccc2)C1 ZINC001320313797 945817264 /nfs/dbraw/zinc/81/72/64/945817264.db2.gz NPDJRVGIMXJLHP-IRXDYDNUSA-N 2 1 315.417 0.057 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278652913 945874557 /nfs/dbraw/zinc/87/45/57/945874557.db2.gz GRXJJZHZJNDDKK-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278652913 945874572 /nfs/dbraw/zinc/87/45/72/945874572.db2.gz GRXJJZHZJNDDKK-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278652913 945874579 /nfs/dbraw/zinc/87/45/79/945874579.db2.gz GRXJJZHZJNDDKK-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001278820515 946444067 /nfs/dbraw/zinc/44/40/67/946444067.db2.gz BEPYJAYPFGTXOP-IRXDYDNUSA-N 2 1 307.438 0.601 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001278820515 946444072 /nfs/dbraw/zinc/44/40/72/946444072.db2.gz BEPYJAYPFGTXOP-IRXDYDNUSA-N 2 1 307.438 0.601 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001278820515 946444076 /nfs/dbraw/zinc/44/40/76/946444076.db2.gz BEPYJAYPFGTXOP-IRXDYDNUSA-N 2 1 307.438 0.601 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001278859563 946492766 /nfs/dbraw/zinc/49/27/66/946492766.db2.gz DKZZJFYRRYVWMT-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001278859563 946492771 /nfs/dbraw/zinc/49/27/71/946492771.db2.gz DKZZJFYRRYVWMT-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001278859563 946492775 /nfs/dbraw/zinc/49/27/75/946492775.db2.gz DKZZJFYRRYVWMT-CVEARBPZSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001279035210 946752831 /nfs/dbraw/zinc/75/28/31/946752831.db2.gz SLWGQXLXMJGDLU-LSDHHAIUSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001279035210 946752840 /nfs/dbraw/zinc/75/28/40/946752840.db2.gz SLWGQXLXMJGDLU-LSDHHAIUSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001324412779 947417559 /nfs/dbraw/zinc/41/75/59/947417559.db2.gz FYILSCMPWJNHAV-CQSZACIVSA-N 2 1 322.453 0.128 20 30 DCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001325836182 947944797 /nfs/dbraw/zinc/94/47/97/947944797.db2.gz RSEJRXCOOZBTCP-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001325836182 947944804 /nfs/dbraw/zinc/94/48/04/947944804.db2.gz RSEJRXCOOZBTCP-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001325836182 947944812 /nfs/dbraw/zinc/94/48/12/947944812.db2.gz RSEJRXCOOZBTCP-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001325836182 947944823 /nfs/dbraw/zinc/94/48/23/947944823.db2.gz RSEJRXCOOZBTCP-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C/C=C/Cl ZINC001326041305 948029898 /nfs/dbraw/zinc/02/98/98/948029898.db2.gz GNFJVGYZBBJAAG-YVZNUBBCSA-N 2 1 313.829 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C/C=C/Cl ZINC001326041305 948029911 /nfs/dbraw/zinc/02/99/11/948029911.db2.gz GNFJVGYZBBJAAG-YVZNUBBCSA-N 2 1 313.829 0.247 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273753212 948066566 /nfs/dbraw/zinc/06/65/66/948066566.db2.gz SGXZESYWOVQIJJ-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001327576399 948557555 /nfs/dbraw/zinc/55/75/55/948557555.db2.gz GBVNAHPKPDKRLM-AEFFLSMTSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264070145 948859654 /nfs/dbraw/zinc/85/96/54/948859654.db2.gz KLVGUTJRRCGIRL-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001264395383 948958791 /nfs/dbraw/zinc/95/87/91/948958791.db2.gz SEIRLQDGKKOHEO-XHSDSOJGSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cnc1C ZINC001328784437 949092437 /nfs/dbraw/zinc/09/24/37/949092437.db2.gz CKPOIHXGWOERHO-HNNXBMFYSA-N 2 1 318.421 0.833 20 30 DCEDMP COCC#CCN(C)C[C@@H]1CCCN1C(=O)Cc1[nH]cnc1C ZINC001328784437 949092456 /nfs/dbraw/zinc/09/24/56/949092456.db2.gz CKPOIHXGWOERHO-HNNXBMFYSA-N 2 1 318.421 0.833 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265707921 949891678 /nfs/dbraw/zinc/89/16/78/949891678.db2.gz HDFZBXPTZOKYFM-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265707921 949891695 /nfs/dbraw/zinc/89/16/95/949891695.db2.gz HDFZBXPTZOKYFM-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265731406 949904677 /nfs/dbraw/zinc/90/46/77/949904677.db2.gz MKIIGULBVWLCAO-NRXISQOPSA-N 2 1 322.453 0.400 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccnn1C ZINC001266153039 950424034 /nfs/dbraw/zinc/42/40/34/950424034.db2.gz WRKPZBBUWKDFQU-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccnn1C ZINC001266153039 950424045 /nfs/dbraw/zinc/42/40/45/950424045.db2.gz WRKPZBBUWKDFQU-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490237937 950446428 /nfs/dbraw/zinc/44/64/28/950446428.db2.gz VFHVJINZBMTGRT-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001490237937 950446435 /nfs/dbraw/zinc/44/64/35/950446435.db2.gz VFHVJINZBMTGRT-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001490237937 950446446 /nfs/dbraw/zinc/44/64/46/950446446.db2.gz VFHVJINZBMTGRT-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)COC)C1 ZINC001330611005 950547251 /nfs/dbraw/zinc/54/72/51/950547251.db2.gz WHNIHFZJYVTKLQ-VGWMRTNUSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)COC)C1 ZINC001330611005 950547257 /nfs/dbraw/zinc/54/72/57/950547257.db2.gz WHNIHFZJYVTKLQ-VGWMRTNUSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001279443259 950574473 /nfs/dbraw/zinc/57/44/73/950574473.db2.gz MMMGJHPMEHMTLJ-HNNXBMFYSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001279438271 950574809 /nfs/dbraw/zinc/57/48/09/950574809.db2.gz CVDHKYXWTRRWFX-HOTGVXAUSA-N 2 1 320.481 0.520 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001279431990 950575149 /nfs/dbraw/zinc/57/51/49/950575149.db2.gz VMTOTRKQUAQTDH-QGZVFWFLSA-N 2 1 320.481 0.664 20 30 DCEDMP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001279530462 950621325 /nfs/dbraw/zinc/62/13/25/950621325.db2.gz UVJHENHMRQEHOY-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001279530462 950621329 /nfs/dbraw/zinc/62/13/29/950621329.db2.gz UVJHENHMRQEHOY-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](CCC)CC1 ZINC001490470218 950710707 /nfs/dbraw/zinc/71/07/07/950710707.db2.gz PVAGFNPFAMDWNA-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](CCC)CC1 ZINC001490470218 950710725 /nfs/dbraw/zinc/71/07/25/950710725.db2.gz PVAGFNPFAMDWNA-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001490514442 950839930 /nfs/dbraw/zinc/83/99/30/950839930.db2.gz HIKCJPLDNCQCTF-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001331133194 950944870 /nfs/dbraw/zinc/94/48/70/950944870.db2.gz PDTYAZQTBPMTAI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001331133194 950944876 /nfs/dbraw/zinc/94/48/76/950944876.db2.gz PDTYAZQTBPMTAI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001331642703 951215512 /nfs/dbraw/zinc/21/55/12/951215512.db2.gz BXJIAQVNGMINHN-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001274125898 951430851 /nfs/dbraw/zinc/43/08/51/951430851.db2.gz VMBZVQUXYSEMTG-NHQLZKDQSA-N 2 1 322.453 0.423 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001332661950 951749443 /nfs/dbraw/zinc/74/94/43/951749443.db2.gz BBMRZRXABNPAQP-OAHLLOKOSA-N 2 1 311.470 0.739 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001332661950 951749450 /nfs/dbraw/zinc/74/94/50/951749450.db2.gz BBMRZRXABNPAQP-OAHLLOKOSA-N 2 1 311.470 0.739 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001332661950 951749458 /nfs/dbraw/zinc/74/94/58/951749458.db2.gz BBMRZRXABNPAQP-OAHLLOKOSA-N 2 1 311.470 0.739 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001280581562 951807501 /nfs/dbraw/zinc/80/75/01/951807501.db2.gz CLBVGZOIOSORRA-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275978079 952580934 /nfs/dbraw/zinc/58/09/34/952580934.db2.gz YELPTENLTPHIQB-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001275978079 952580936 /nfs/dbraw/zinc/58/09/36/952580936.db2.gz YELPTENLTPHIQB-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001275978079 952580939 /nfs/dbraw/zinc/58/09/39/952580939.db2.gz YELPTENLTPHIQB-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001275978079 952580942 /nfs/dbraw/zinc/58/09/42/952580942.db2.gz YELPTENLTPHIQB-KGLIPLIRSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001336098960 952644351 /nfs/dbraw/zinc/64/43/51/952644351.db2.gz DFSUNEMVDSDQOT-HNNXBMFYSA-N 2 1 322.453 0.481 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001340221402 953154998 /nfs/dbraw/zinc/15/49/98/953154998.db2.gz DDZIWCVPACEDPB-ZBFHGGJFSA-N 2 1 308.470 0.955 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001340221402 953154999 /nfs/dbraw/zinc/15/49/99/953154999.db2.gz DDZIWCVPACEDPB-ZBFHGGJFSA-N 2 1 308.470 0.955 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001342564065 953295993 /nfs/dbraw/zinc/29/59/93/953295993.db2.gz FBBWXHWMOXLMPT-BLLLJJGKSA-N 2 1 303.410 0.667 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001281808807 953372715 /nfs/dbraw/zinc/37/27/15/953372715.db2.gz RSIWXIYCUVKHMB-MRXNPFEDSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001282832995 953687893 /nfs/dbraw/zinc/68/78/93/953687893.db2.gz LJMDGNQYUMRKKC-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001282832995 953687895 /nfs/dbraw/zinc/68/78/95/953687895.db2.gz LJMDGNQYUMRKKC-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(=C)Cl)CC1 ZINC001283830880 954641299 /nfs/dbraw/zinc/64/12/99/954641299.db2.gz HNMLGYSFIXTGSM-CQSZACIVSA-N 2 1 313.829 0.151 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001283998177 954761713 /nfs/dbraw/zinc/76/17/13/954761713.db2.gz GSBVKAAOECRTDE-OCCSQVGLSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284067787 954826218 /nfs/dbraw/zinc/82/62/18/954826218.db2.gz MNWPIGCYVQRXFU-WMZOPIPTSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001284067787 954826227 /nfs/dbraw/zinc/82/62/27/954826227.db2.gz MNWPIGCYVQRXFU-WMZOPIPTSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001284178863 954904299 /nfs/dbraw/zinc/90/42/99/954904299.db2.gz JJHDRQKWFYNFHL-HZPDHXFCSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001284651953 955215165 /nfs/dbraw/zinc/21/51/65/955215165.db2.gz CUCLFCCEABQLBW-GJZGRUSLSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001284651953 955215173 /nfs/dbraw/zinc/21/51/73/955215173.db2.gz CUCLFCCEABQLBW-GJZGRUSLSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001492405699 959929453 /nfs/dbraw/zinc/92/94/53/959929453.db2.gz SICNPIPIYPHVSM-LSDHHAIUSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001492405699 959929456 /nfs/dbraw/zinc/92/94/56/959929456.db2.gz SICNPIPIYPHVSM-LSDHHAIUSA-N 2 1 324.469 0.408 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2ccnc2C)C1 ZINC001316749795 960365235 /nfs/dbraw/zinc/36/52/35/960365235.db2.gz XAHHSXCTLCIDGR-INIZCTEOSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001316749795 960365242 /nfs/dbraw/zinc/36/52/42/960365242.db2.gz XAHHSXCTLCIDGR-INIZCTEOSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001316749795 960365252 /nfs/dbraw/zinc/36/52/52/960365252.db2.gz XAHHSXCTLCIDGR-INIZCTEOSA-N 2 1 318.421 0.500 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001502573349 1015978442 /nfs/dbraw/zinc/97/84/42/1015978442.db2.gz NFERXSUNWYAXDU-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001502603093 1015994164 /nfs/dbraw/zinc/99/41/64/1015994164.db2.gz GCXCALOZBBHBMM-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001502603091 1015994546 /nfs/dbraw/zinc/99/45/46/1015994546.db2.gz GCXCALOZBBHBMM-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001507116344 1015999222 /nfs/dbraw/zinc/99/92/22/1015999222.db2.gz FKCBDJHIZCQTGV-ILXRZTDVSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001507163227 1016044239 /nfs/dbraw/zinc/04/42/39/1016044239.db2.gz TWLMONQCFVPHJB-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001507568290 1016459424 /nfs/dbraw/zinc/45/94/24/1016459424.db2.gz QSKDGAZZEVZHOP-CVEARBPZSA-N 2 1 303.406 0.331 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001402611938 1001440794 /nfs/dbraw/zinc/44/07/94/1001440794.db2.gz XPMAOOWRBVPKAQ-JSGCOSHPSA-N 2 1 315.845 0.898 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cccc(C#N)c1 ZINC001437121000 1006611811 /nfs/dbraw/zinc/61/18/11/1006611811.db2.gz IROOXGNKBOLOAA-CJNGLKHVSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cccc(C#N)c1 ZINC001437121000 1006611817 /nfs/dbraw/zinc/61/18/17/1006611817.db2.gz IROOXGNKBOLOAA-CJNGLKHVSA-N 2 1 316.405 0.483 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001421981511 1009358183 /nfs/dbraw/zinc/35/81/83/1009358183.db2.gz JTCULBKGTYCHER-CHWSQXEVSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001421981511 1009358197 /nfs/dbraw/zinc/35/81/97/1009358197.db2.gz JTCULBKGTYCHER-CHWSQXEVSA-N 2 1 303.834 0.896 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001479340151 1017503810 /nfs/dbraw/zinc/50/38/10/1017503810.db2.gz RDIBEPKDSLVIFF-JZXOWHBKSA-N 2 1 319.449 0.607 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001506752174 1017508827 /nfs/dbraw/zinc/50/88/27/1017508827.db2.gz HUTUQBROEOOGAN-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494562250 1017791247 /nfs/dbraw/zinc/79/12/47/1017791247.db2.gz LETJERFGWMRERA-UHFFFAOYSA-N 2 1 319.449 0.560 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001479942237 1018014598 /nfs/dbraw/zinc/01/45/98/1018014598.db2.gz NDEOAQCOAXCOEA-IYBDPMFKSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001479942237 1018014610 /nfs/dbraw/zinc/01/46/10/1018014610.db2.gz NDEOAQCOAXCOEA-IYBDPMFKSA-N 2 1 306.454 0.226 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC#CCOC)CC2 ZINC001479987282 1018093895 /nfs/dbraw/zinc/09/38/95/1018093895.db2.gz YBYFDHUMBNWLEK-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494863979 1018114584 /nfs/dbraw/zinc/11/45/84/1018114584.db2.gz PJAKDEWETUKQJX-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494863979 1018114588 /nfs/dbraw/zinc/11/45/88/1018114588.db2.gz PJAKDEWETUKQJX-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494863979 1018114594 /nfs/dbraw/zinc/11/45/94/1018114594.db2.gz PJAKDEWETUKQJX-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494863979 1018114599 /nfs/dbraw/zinc/11/45/99/1018114599.db2.gz PJAKDEWETUKQJX-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500257329 1018354497 /nfs/dbraw/zinc/35/44/97/1018354497.db2.gz JOTCKVVFKUHBSI-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500257329 1018354507 /nfs/dbraw/zinc/35/45/07/1018354507.db2.gz JOTCKVVFKUHBSI-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001500257329 1018354514 /nfs/dbraw/zinc/35/45/14/1018354514.db2.gz JOTCKVVFKUHBSI-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500257329 1018354528 /nfs/dbraw/zinc/35/45/28/1018354528.db2.gz JOTCKVVFKUHBSI-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001501586714 1019308079 /nfs/dbraw/zinc/30/80/79/1019308079.db2.gz MGJYHUNSFNAZEY-ZDUSSCGKSA-N 2 1 304.394 0.811 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001494179243 1020050421 /nfs/dbraw/zinc/05/04/21/1020050421.db2.gz CSDKRCUBXSBDIE-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(CO)c1 ZINC000267440982 238226151 /nfs/dbraw/zinc/22/61/51/238226151.db2.gz PCIINCAKZAQHCP-UHFFFAOYSA-N 2 1 306.410 0.306 20 30 DCEDMP Cc1cccc([C@@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000268980891 238255211 /nfs/dbraw/zinc/25/52/11/238255211.db2.gz RIRYZXCKVWOVBQ-INIZCTEOSA-N 2 1 320.437 0.655 20 30 DCEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362411904 239101570 /nfs/dbraw/zinc/10/15/70/239101570.db2.gz DESSNDIARFNJSE-HNNXBMFYSA-N 2 1 307.442 0.070 20 30 DCEDMP C[NH+](CC#CC[N@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000284239845 415592161 /nfs/dbraw/zinc/59/21/61/415592161.db2.gz VNVLRRBZFZNQAU-UHFFFAOYSA-N 2 1 324.432 0.919 20 30 DCEDMP C[NH+](CC#CC[N@@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000284239845 415592177 /nfs/dbraw/zinc/59/21/77/415592177.db2.gz VNVLRRBZFZNQAU-UHFFFAOYSA-N 2 1 324.432 0.919 20 30 DCEDMP CNC(NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)=[NH+]C ZINC000108638441 415679348 /nfs/dbraw/zinc/67/93/48/415679348.db2.gz HRAABKQGGQCYNW-OAHLLOKOSA-N 2 1 317.437 0.679 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000343739256 415706311 /nfs/dbraw/zinc/70/63/11/415706311.db2.gz MNQDAHFOKDFNMQ-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000124990029 415854625 /nfs/dbraw/zinc/85/46/25/415854625.db2.gz AWCAEHLBBUAQQQ-KFWWJZLASA-N 2 1 322.453 0.571 20 30 DCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000329353342 416166123 /nfs/dbraw/zinc/16/61/23/416166123.db2.gz GANDWVBVXYEQEW-KFWWJZLASA-N 2 1 309.458 0.363 20 30 DCEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329353342 416166124 /nfs/dbraw/zinc/16/61/24/416166124.db2.gz GANDWVBVXYEQEW-KFWWJZLASA-N 2 1 309.458 0.363 20 30 DCEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329353342 416166127 /nfs/dbraw/zinc/16/61/27/416166127.db2.gz GANDWVBVXYEQEW-KFWWJZLASA-N 2 1 309.458 0.363 20 30 DCEDMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC1(C#N)CCC1 ZINC000346963948 416208321 /nfs/dbraw/zinc/20/83/21/416208321.db2.gz AWCBCMGXTRPWNM-UHFFFAOYSA-N 2 1 307.442 0.118 20 30 DCEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC1(C#N)CCC1 ZINC000346963948 416208322 /nfs/dbraw/zinc/20/83/22/416208322.db2.gz AWCBCMGXTRPWNM-UHFFFAOYSA-N 2 1 307.442 0.118 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000331118018 416267482 /nfs/dbraw/zinc/26/74/82/416267482.db2.gz NCKARETTWQZKFR-UHFFFAOYSA-N 2 1 324.469 0.939 20 30 DCEDMP C[NH+]=C(NCCn1ccnc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261769850 416335766 /nfs/dbraw/zinc/33/57/66/416335766.db2.gz NWWNTBJMRNYLDC-SWLSCSKDSA-N 2 1 304.442 0.839 20 30 DCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264098716 416339085 /nfs/dbraw/zinc/33/90/85/416339085.db2.gz NJIJQUGNNXNECD-CZUORRHYSA-N 2 1 320.437 0.345 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000491299539 416594962 /nfs/dbraw/zinc/59/49/62/416594962.db2.gz ZVBADSUNMNJKRH-GJZGRUSLSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000491299539 416594964 /nfs/dbraw/zinc/59/49/64/416594964.db2.gz ZVBADSUNMNJKRH-GJZGRUSLSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000491299539 416594967 /nfs/dbraw/zinc/59/49/67/416594967.db2.gz ZVBADSUNMNJKRH-GJZGRUSLSA-N 2 1 310.442 0.038 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000491473475 416600911 /nfs/dbraw/zinc/60/09/11/416600911.db2.gz DRXAFHDAQPILHV-AWEZNQCLSA-N 2 1 320.389 0.700 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000491473475 416600914 /nfs/dbraw/zinc/60/09/14/416600914.db2.gz DRXAFHDAQPILHV-AWEZNQCLSA-N 2 1 320.389 0.700 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000491473476 416602597 /nfs/dbraw/zinc/60/25/97/416602597.db2.gz DRXAFHDAQPILHV-CQSZACIVSA-N 2 1 320.389 0.700 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000491473476 416602601 /nfs/dbraw/zinc/60/26/01/416602601.db2.gz DRXAFHDAQPILHV-CQSZACIVSA-N 2 1 320.389 0.700 20 30 DCEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000517567211 416812215 /nfs/dbraw/zinc/81/22/15/416812215.db2.gz DTADKGSXSDQWLJ-CVEARBPZSA-N 2 1 319.405 0.344 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCOC ZINC001571641273 1159219802 /nfs/dbraw/zinc/21/98/02/1159219802.db2.gz YUPIGHFXAWSMEC-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCOC ZINC001571641273 1159219806 /nfs/dbraw/zinc/21/98/06/1159219806.db2.gz YUPIGHFXAWSMEC-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CCOc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000172118781 337089755 /nfs/dbraw/zinc/08/97/55/337089755.db2.gz VSNSGDGACQTPND-UHFFFAOYSA-N 2 1 315.417 0.952 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C[C@@H]1CCOC1 ZINC001566462239 1159824101 /nfs/dbraw/zinc/82/41/01/1159824101.db2.gz QMBKCFPDHKILMP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C[C@@H]1CCOC1 ZINC001566462239 1159824111 /nfs/dbraw/zinc/82/41/11/1159824111.db2.gz QMBKCFPDHKILMP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C[C@@H]1CCOC1 ZINC001566462239 1159824122 /nfs/dbraw/zinc/82/41/22/1159824122.db2.gz QMBKCFPDHKILMP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C[C@@H]1CCOC1 ZINC001566462239 1159824134 /nfs/dbraw/zinc/82/41/34/1159824134.db2.gz QMBKCFPDHKILMP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001568369730 1160637392 /nfs/dbraw/zinc/63/73/92/1160637392.db2.gz VLIUOBKVVACTBI-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C[NH+]=C(NCCS(C)(=O)=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262460763 526363036 /nfs/dbraw/zinc/36/30/36/526363036.db2.gz MJWLZJGDQJQKIC-ZDUSSCGKSA-N 2 1 316.471 0.167 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000358224864 526597332 /nfs/dbraw/zinc/59/73/32/526597332.db2.gz LPSBWKGABPMKHC-HNNXBMFYSA-N 2 1 308.470 0.779 20 30 DCEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262307390 527382960 /nfs/dbraw/zinc/38/29/60/527382960.db2.gz OYHZVRMZOLGRPZ-GXTWGEPZSA-N 2 1 309.458 0.501 20 30 DCEDMP CCCNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264127110 528160645 /nfs/dbraw/zinc/16/06/45/528160645.db2.gz WRTSAQNRIWSPKI-UHFFFAOYSA-N 2 1 304.442 0.908 20 30 DCEDMP CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000261747364 528828926 /nfs/dbraw/zinc/82/89/26/528828926.db2.gz BWOALSQQBKZGBK-CQSZACIVSA-N 2 1 322.457 0.592 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(CCOC)c1 ZINC000283762080 529073631 /nfs/dbraw/zinc/07/36/31/529073631.db2.gz HWIZZPPATPNQRD-CQSZACIVSA-N 2 1 308.430 0.418 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001675727023 1175388039 /nfs/dbraw/zinc/38/80/39/1175388039.db2.gz RIROWOLPACLKPR-KKUMJFAQSA-N 2 1 311.426 0.004 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001675727023 1175388046 /nfs/dbraw/zinc/38/80/46/1175388046.db2.gz RIROWOLPACLKPR-KKUMJFAQSA-N 2 1 311.426 0.004 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C(C)(C)C1 ZINC000977654341 660411017 /nfs/dbraw/zinc/41/10/17/660411017.db2.gz KSAUWMXTYBZNCN-INIZCTEOSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001027611030 660525317 /nfs/dbraw/zinc/52/53/17/660525317.db2.gz PCLLOVIYBSJKLF-INIZCTEOSA-N 2 1 317.437 0.614 20 30 DCEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000179859922 665407620 /nfs/dbraw/zinc/40/76/20/665407620.db2.gz UGLRSOOIPSJNBU-UHFFFAOYSA-N 2 1 309.458 0.778 20 30 DCEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981646517 661189605 /nfs/dbraw/zinc/18/96/05/661189605.db2.gz MDGWEZZLCDZLNY-UPTPFMHGSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646517 661189607 /nfs/dbraw/zinc/18/96/07/661189607.db2.gz MDGWEZZLCDZLNY-UPTPFMHGSA-N 2 1 319.449 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646517 661189608 /nfs/dbraw/zinc/18/96/08/661189608.db2.gz MDGWEZZLCDZLNY-UPTPFMHGSA-N 2 1 319.449 0.960 20 30 DCEDMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=[NH2+])N2CCCCCC2)C1 ZINC000126043122 661269014 /nfs/dbraw/zinc/26/90/14/661269014.db2.gz DYPUPLGUNDXPRH-AWEZNQCLSA-N 2 1 309.458 0.765 20 30 DCEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153605 657507825 /nfs/dbraw/zinc/50/78/25/657507825.db2.gz LCMMKIFJSXZIIX-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153605 657507832 /nfs/dbraw/zinc/50/78/32/657507832.db2.gz LCMMKIFJSXZIIX-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153605 657507837 /nfs/dbraw/zinc/50/78/37/657507837.db2.gz LCMMKIFJSXZIIX-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153605 657507841 /nfs/dbraw/zinc/50/78/41/657507841.db2.gz LCMMKIFJSXZIIX-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC001022220497 657566324 /nfs/dbraw/zinc/56/63/24/657566324.db2.gz GXZGKOORHDHNHH-LZWOXQAQSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC001022220497 657566328 /nfs/dbraw/zinc/56/63/28/657566328.db2.gz GXZGKOORHDHNHH-LZWOXQAQSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2conc2C)C1 ZINC001022220559 657566608 /nfs/dbraw/zinc/56/66/08/657566608.db2.gz JYYTYBZHRPBTNW-XHSDSOJGSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2conc2C)C1 ZINC001022220559 657566619 /nfs/dbraw/zinc/56/66/19/657566619.db2.gz JYYTYBZHRPBTNW-XHSDSOJGSA-N 2 1 316.405 0.817 20 30 DCEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972551994 657762515 /nfs/dbraw/zinc/76/25/15/657762515.db2.gz JIAGSEZMXQHDLY-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001023447346 657874957 /nfs/dbraw/zinc/87/49/57/657874957.db2.gz LMSLBWAANCUEGI-LSDHHAIUSA-N 2 1 300.406 0.907 20 30 DCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500424 657935632 /nfs/dbraw/zinc/93/56/32/657935632.db2.gz UFGVSOAWMZSXCI-UERKLNTKSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000998895324 665545979 /nfs/dbraw/zinc/54/59/79/665545979.db2.gz YWDFMJPRMDQPSI-PREGVCBESA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969491 658107476 /nfs/dbraw/zinc/10/74/76/658107476.db2.gz NWLIPYCFQFYHNG-GWUWNPHMSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971969491 658107479 /nfs/dbraw/zinc/10/74/79/658107479.db2.gz NWLIPYCFQFYHNG-GWUWNPHMSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971969491 658107485 /nfs/dbraw/zinc/10/74/85/658107485.db2.gz NWLIPYCFQFYHNG-GWUWNPHMSA-N 2 1 303.406 0.016 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555647 658799230 /nfs/dbraw/zinc/79/92/30/658799230.db2.gz IBNURFHWYFFEMA-CQSZACIVSA-N 2 1 303.410 0.224 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(C(=O)OC)CC1 ZINC000073629166 665626716 /nfs/dbraw/zinc/62/67/16/665626716.db2.gz INERKKZAFGCSCU-ZDUSSCGKSA-N 2 1 322.453 0.931 20 30 DCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999355861 665631198 /nfs/dbraw/zinc/63/11/98/665631198.db2.gz YCIRTDUNKSTNBB-LSDHHAIUSA-N 2 1 305.426 0.580 20 30 DCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031857258 665660911 /nfs/dbraw/zinc/66/09/11/665660911.db2.gz QZYVTASMMVCTDH-GNHJJJEISA-N 2 1 305.422 0.474 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781821 659556504 /nfs/dbraw/zinc/55/65/04/659556504.db2.gz RRMRSXJJSSJIAC-SMLCLMEVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781821 659556507 /nfs/dbraw/zinc/55/65/07/659556507.db2.gz RRMRSXJJSSJIAC-SMLCLMEVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781821 659556508 /nfs/dbraw/zinc/55/65/08/659556508.db2.gz RRMRSXJJSSJIAC-SMLCLMEVSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000985443817 662450695 /nfs/dbraw/zinc/45/06/95/662450695.db2.gz ZEBLTFRFEOCGCX-HOTGVXAUSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000985443817 662450696 /nfs/dbraw/zinc/45/06/96/662450696.db2.gz ZEBLTFRFEOCGCX-HOTGVXAUSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000985789035 662513546 /nfs/dbraw/zinc/51/35/46/662513546.db2.gz GQGJUJQJJVQXIV-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000712429 665920146 /nfs/dbraw/zinc/92/01/46/665920146.db2.gz BBBWUACCYUNPDM-HOTGVXAUSA-N 2 1 305.422 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000712429 665920149 /nfs/dbraw/zinc/92/01/49/665920149.db2.gz BBBWUACCYUNPDM-HOTGVXAUSA-N 2 1 305.422 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000712429 665920152 /nfs/dbraw/zinc/92/01/52/665920152.db2.gz BBBWUACCYUNPDM-HOTGVXAUSA-N 2 1 305.422 0.784 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000900917671 663293725 /nfs/dbraw/zinc/29/37/25/663293725.db2.gz FGFURRBVGISZQM-CQSZACIVSA-N 2 1 311.426 0.590 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941229493 665950673 /nfs/dbraw/zinc/95/06/73/665950673.db2.gz AWWKNVCJLOBYQV-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941229493 665950675 /nfs/dbraw/zinc/95/06/75/665950675.db2.gz AWWKNVCJLOBYQV-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229493 665950679 /nfs/dbraw/zinc/95/06/79/665950679.db2.gz AWWKNVCJLOBYQV-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229493 665950681 /nfs/dbraw/zinc/95/06/81/665950681.db2.gz AWWKNVCJLOBYQV-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443458 665995303 /nfs/dbraw/zinc/99/53/03/665995303.db2.gz PUBJGJOMUUUART-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443458 665995304 /nfs/dbraw/zinc/99/53/04/665995304.db2.gz PUBJGJOMUUUART-MRXNPFEDSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CCN(C(=O)NCC[N@H+](C)CCOC)C1CC[NH+](C)CC1 ZINC000916331388 665066914 /nfs/dbraw/zinc/06/69/14/665066914.db2.gz MTVOCJUKLKYBMV-UHFFFAOYSA-N 2 1 310.442 0.304 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC#C)[C@H]2C)CC1 ZINC000994493642 665116407 /nfs/dbraw/zinc/11/64/07/665116407.db2.gz FBBMESHJLVZQCW-RDJZCZTQSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000941437128 665998414 /nfs/dbraw/zinc/99/84/14/665998414.db2.gz SJFVRKQERGDMGM-UHFFFAOYSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567041 666024150 /nfs/dbraw/zinc/02/41/50/666024150.db2.gz PCGQJUOIRYHQHV-RDJZCZTQSA-N 2 1 318.465 0.036 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567041 666024152 /nfs/dbraw/zinc/02/41/52/666024152.db2.gz PCGQJUOIRYHQHV-RDJZCZTQSA-N 2 1 318.465 0.036 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941638919 666033465 /nfs/dbraw/zinc/03/34/65/666033465.db2.gz JIQDXQGZCRGENE-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941638919 666033467 /nfs/dbraw/zinc/03/34/67/666033467.db2.gz JIQDXQGZCRGENE-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665524 666040864 /nfs/dbraw/zinc/04/08/64/666040864.db2.gz HXBLHDNAGHUGGN-HNNXBMFYSA-N 2 1 306.454 0.343 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)O)CC1 ZINC001001491884 666060960 /nfs/dbraw/zinc/06/09/60/666060960.db2.gz MDYQXXSZXSVKEF-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)O)CC1 ZINC001001491884 666060962 /nfs/dbraw/zinc/06/09/62/666060962.db2.gz MDYQXXSZXSVKEF-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942056436 666103890 /nfs/dbraw/zinc/10/38/90/666103890.db2.gz HCHFMNDTDPKBDO-HUUCEWRRSA-N 2 1 317.437 0.518 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691181407 1157607345 /nfs/dbraw/zinc/60/73/45/1157607345.db2.gz UOJLGVVIRIXNFL-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691181407 1157607349 /nfs/dbraw/zinc/60/73/49/1157607349.db2.gz UOJLGVVIRIXNFL-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001691181407 1157607354 /nfs/dbraw/zinc/60/73/54/1157607354.db2.gz UOJLGVVIRIXNFL-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001034045014 666906190 /nfs/dbraw/zinc/90/61/90/666906190.db2.gz HHSRPUAILBBRHO-INIZCTEOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001034537991 667064228 /nfs/dbraw/zinc/06/42/28/667064228.db2.gz GWLBSTHZEOFZTP-NVXWUHKLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997150619 667178844 /nfs/dbraw/zinc/17/88/44/667178844.db2.gz ZQPUPENKQAMABM-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997150619 667178845 /nfs/dbraw/zinc/17/88/45/667178845.db2.gz ZQPUPENKQAMABM-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001036095367 667424817 /nfs/dbraw/zinc/42/48/17/667424817.db2.gz LQFAAKYBHBOKNT-OCCSQVGLSA-N 2 1 304.394 0.810 20 30 DCEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884188215 667493213 /nfs/dbraw/zinc/49/32/13/667493213.db2.gz BSLXHSTXBRTDRS-GJEMEMOUSA-N 2 1 304.438 0.974 20 30 DCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000884213131 667500675 /nfs/dbraw/zinc/50/06/75/667500675.db2.gz UNRLMODPJKNJPC-SCOKMKKDSA-N 2 1 302.422 0.821 20 30 DCEDMP N#Cc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)o1 ZINC000872146536 667868000 /nfs/dbraw/zinc/86/80/00/667868000.db2.gz QBWQEWUYGSDRLE-DDTOSNHZSA-N 2 1 302.334 0.518 20 30 DCEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)o1 ZINC000872146536 667868005 /nfs/dbraw/zinc/86/80/05/667868005.db2.gz QBWQEWUYGSDRLE-DDTOSNHZSA-N 2 1 302.334 0.518 20 30 DCEDMP C=CCN(CC=C)C(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779645345 668922780 /nfs/dbraw/zinc/92/27/80/668922780.db2.gz GGVAXOGPCJEVOR-AWEZNQCLSA-N 2 1 324.425 0.795 20 30 DCEDMP C=CCN(CC=C)C(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779645345 668922784 /nfs/dbraw/zinc/92/27/84/668922784.db2.gz GGVAXOGPCJEVOR-AWEZNQCLSA-N 2 1 324.425 0.795 20 30 DCEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000949052091 670248273 /nfs/dbraw/zinc/24/82/73/670248273.db2.gz WXQWSASLPUNGEQ-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC000949061284 670249986 /nfs/dbraw/zinc/24/99/86/670249986.db2.gz XQWAQMPVGUUSGK-HNNXBMFYSA-N 2 1 323.437 0.196 20 30 DCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC000949061284 670249990 /nfs/dbraw/zinc/24/99/90/670249990.db2.gz XQWAQMPVGUUSGK-HNNXBMFYSA-N 2 1 323.437 0.196 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCO)C2)CC1 ZINC001036903963 670270654 /nfs/dbraw/zinc/27/06/54/670270654.db2.gz KCDVZVQIDBJTFA-DLBZAZTESA-N 2 1 319.449 0.247 20 30 DCEDMP C=C(C)[C@H]1OCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849025509 670751073 /nfs/dbraw/zinc/75/10/73/670751073.db2.gz KADUSHQPYIRNFB-HUUCEWRRSA-N 2 1 310.442 0.804 20 30 DCEDMP C[NH+]=C(NCCC[N@@H+](C)CC(C)C)NCCN1CCOCC1 ZINC000849046465 670755530 /nfs/dbraw/zinc/75/55/30/670755530.db2.gz HBXXXMGBKSOYBH-UHFFFAOYSA-N 2 1 313.490 0.462 20 30 DCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303893156 685208120 /nfs/dbraw/zinc/20/81/20/685208120.db2.gz RSEDJXXJNOIAOQ-HNNXBMFYSA-N 2 1 311.474 0.345 20 30 DCEDMP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303893156 685208126 /nfs/dbraw/zinc/20/81/26/685208126.db2.gz RSEDJXXJNOIAOQ-HNNXBMFYSA-N 3 1 311.474 0.345 20 30 DCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303893156 685208131 /nfs/dbraw/zinc/20/81/31/685208131.db2.gz RSEDJXXJNOIAOQ-HNNXBMFYSA-N 3 1 311.474 0.345 20 30 DCEDMP C[C@@H]1CCCN(C(=[NH2+])NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000303979171 685209343 /nfs/dbraw/zinc/20/93/43/685209343.db2.gz MUEYEPMZAXIRLA-CABCVRRESA-N 2 1 323.485 0.976 20 30 DCEDMP CC(C)CCNC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303986779 685209498 /nfs/dbraw/zinc/20/94/98/685209498.db2.gz UWPSMKVZAAUMQP-AWEZNQCLSA-N 2 1 311.474 0.880 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC1CCOCC1 ZINC000304784889 685212207 /nfs/dbraw/zinc/21/22/07/685212207.db2.gz HTHHEPDJJCQMKO-CQSZACIVSA-N 2 1 312.458 0.961 20 30 DCEDMP COCCC(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000305842630 685217562 /nfs/dbraw/zinc/21/75/62/685217562.db2.gz ZYJRMCOAMANFKZ-UHFFFAOYSA-N 2 1 300.447 0.676 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@@H](C)OC)CC2)CC1 ZINC000957776265 687180928 /nfs/dbraw/zinc/18/09/28/687180928.db2.gz AUGLJTOENYGJTH-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038530461 694107279 /nfs/dbraw/zinc/10/72/79/694107279.db2.gz ADVGWPVSUOKBKJ-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038530461 694107285 /nfs/dbraw/zinc/10/72/85/694107285.db2.gz ADVGWPVSUOKBKJ-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038530461 694107287 /nfs/dbraw/zinc/10/72/87/694107287.db2.gz ADVGWPVSUOKBKJ-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038530461 694107289 /nfs/dbraw/zinc/10/72/89/694107289.db2.gz ADVGWPVSUOKBKJ-DGNOSDGRSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958263102 687491154 /nfs/dbraw/zinc/49/11/54/687491154.db2.gz NQBPRDDICJGYBR-GOEBONIOSA-N 2 1 314.389 0.933 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961773475 688729256 /nfs/dbraw/zinc/72/92/56/688729256.db2.gz SXAUFOKNNBVOII-QMCVQRASSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961773475 688729259 /nfs/dbraw/zinc/72/92/59/688729259.db2.gz SXAUFOKNNBVOII-QMCVQRASSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)COC)C[C@H]32)CC1 ZINC000962781432 688978972 /nfs/dbraw/zinc/97/89/72/688978972.db2.gz TWZBPAUXPNTUHU-SIXLDLHFSA-N 2 1 319.449 0.413 20 30 DCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007991116 690783839 /nfs/dbraw/zinc/78/38/39/690783839.db2.gz RDKFUYNCBBHTBQ-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007991116 690783843 /nfs/dbraw/zinc/78/38/43/690783843.db2.gz RDKFUYNCBBHTBQ-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007991116 690783847 /nfs/dbraw/zinc/78/38/47/690783847.db2.gz RDKFUYNCBBHTBQ-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001040014932 694463910 /nfs/dbraw/zinc/46/39/10/694463910.db2.gz UTXLCWYMHFKKAX-CALCHBBNSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001040014932 694463913 /nfs/dbraw/zinc/46/39/13/694463913.db2.gz UTXLCWYMHFKKAX-CALCHBBNSA-N 2 1 319.449 0.389 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014455620 692024025 /nfs/dbraw/zinc/02/40/25/692024025.db2.gz AYUBRHKJPLOLNQ-AWEZNQCLSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)COC)C2)CC1 ZINC001016330904 692654471 /nfs/dbraw/zinc/65/44/71/692654471.db2.gz HRMIXQKKJMVJOH-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOC)C2 ZINC001072822839 694670527 /nfs/dbraw/zinc/67/05/27/694670527.db2.gz VJRQCFFXTCRQOD-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCOC)C2 ZINC001072822839 694670528 /nfs/dbraw/zinc/67/05/28/694670528.db2.gz VJRQCFFXTCRQOD-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOC)C2 ZINC001072822839 694670529 /nfs/dbraw/zinc/67/05/29/694670529.db2.gz VJRQCFFXTCRQOD-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOC)C2 ZINC001072822839 694670530 /nfs/dbraw/zinc/67/05/30/694670530.db2.gz VJRQCFFXTCRQOD-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001571340775 1162709485 /nfs/dbraw/zinc/70/94/85/1162709485.db2.gz CUUKGGUYENIEJA-INIZCTEOSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001571525685 1162796723 /nfs/dbraw/zinc/79/67/23/1162796723.db2.gz VRZUSMPDULCTDO-GOEBONIOSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001571587836 1162833078 /nfs/dbraw/zinc/83/30/78/1162833078.db2.gz QVXMGSQDXOOSOO-HZPDHXFCSA-N 2 1 309.454 0.541 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC#CCOC)CC1 ZINC001691000832 1157397217 /nfs/dbraw/zinc/39/72/17/1157397217.db2.gz URDSRTNTXMAMKT-UHFFFAOYSA-N 2 1 305.422 0.029 20 30 DCEDMP C=CCOCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266501642 1157414701 /nfs/dbraw/zinc/41/47/01/1157414701.db2.gz FQIWFHDWPNTWMR-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266501642 1157414705 /nfs/dbraw/zinc/41/47/05/1157414705.db2.gz FQIWFHDWPNTWMR-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266501642 1157414713 /nfs/dbraw/zinc/41/47/13/1157414713.db2.gz FQIWFHDWPNTWMR-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001266501642 1157414715 /nfs/dbraw/zinc/41/47/15/1157414715.db2.gz FQIWFHDWPNTWMR-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001266501642 1157414718 /nfs/dbraw/zinc/41/47/18/1157414718.db2.gz FQIWFHDWPNTWMR-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001691777809 1157953600 /nfs/dbraw/zinc/95/36/00/1157953600.db2.gz ICZDMDNQCATSNX-HOTGVXAUSA-N 2 1 303.406 0.950 20 30 DCEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001691777809 1157953606 /nfs/dbraw/zinc/95/36/06/1157953606.db2.gz ICZDMDNQCATSNX-HOTGVXAUSA-N 2 1 303.406 0.950 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001752843271 1158319062 /nfs/dbraw/zinc/31/90/62/1158319062.db2.gz AFSQMDCLQQPYQC-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001752843271 1158319069 /nfs/dbraw/zinc/31/90/69/1158319069.db2.gz AFSQMDCLQQPYQC-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001752843271 1158319072 /nfs/dbraw/zinc/31/90/72/1158319072.db2.gz AFSQMDCLQQPYQC-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001752843271 1158319077 /nfs/dbraw/zinc/31/90/77/1158319077.db2.gz AFSQMDCLQQPYQC-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001752843271 1158319081 /nfs/dbraw/zinc/31/90/81/1158319081.db2.gz AFSQMDCLQQPYQC-LJIZCISZSA-N 2 1 307.438 0.718 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC#CCOC ZINC001733104933 1158713994 /nfs/dbraw/zinc/71/39/94/1158713994.db2.gz USXDIUWTOSUQGB-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001565991999 1159940225 /nfs/dbraw/zinc/94/02/25/1159940225.db2.gz AGPDQYOEUOQSMC-LLVKDONJSA-N 2 1 305.382 0.026 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001567151930 1160257928 /nfs/dbraw/zinc/25/79/28/1160257928.db2.gz VPSIQVHDEZEOSY-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001567369577 1160332214 /nfs/dbraw/zinc/33/22/14/1160332214.db2.gz AAOXURHALQKVGP-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCOC)C1 ZINC001567730828 1160467425 /nfs/dbraw/zinc/46/74/25/1160467425.db2.gz DWXAVKXANGGHQM-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCOC)C1 ZINC001567730828 1160467427 /nfs/dbraw/zinc/46/74/27/1160467427.db2.gz DWXAVKXANGGHQM-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCOC)C1 ZINC001567730828 1160467432 /nfs/dbraw/zinc/46/74/32/1160467432.db2.gz DWXAVKXANGGHQM-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCOC)C1 ZINC001567730828 1160467433 /nfs/dbraw/zinc/46/74/33/1160467433.db2.gz DWXAVKXANGGHQM-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001567837067 1160496214 /nfs/dbraw/zinc/49/62/14/1160496214.db2.gz AOLHBKFKFQXQBS-ZFWWWQNUSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001568506165 1160663572 /nfs/dbraw/zinc/66/35/72/1160663572.db2.gz KVSURKWLKBZGBK-OAHLLOKOSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001568506165 1160663574 /nfs/dbraw/zinc/66/35/74/1160663574.db2.gz KVSURKWLKBZGBK-OAHLLOKOSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C)C1=O ZINC001568506165 1160663577 /nfs/dbraw/zinc/66/35/77/1160663577.db2.gz KVSURKWLKBZGBK-OAHLLOKOSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C)C1=O ZINC001568506165 1160663578 /nfs/dbraw/zinc/66/35/78/1160663578.db2.gz KVSURKWLKBZGBK-OAHLLOKOSA-N 2 1 324.469 0.504 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001568711472 1160746388 /nfs/dbraw/zinc/74/63/88/1160746388.db2.gz FJHBBVPQBLFIRZ-QWHCGFSZSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001568711472 1160746395 /nfs/dbraw/zinc/74/63/95/1160746395.db2.gz FJHBBVPQBLFIRZ-QWHCGFSZSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001569901475 1161308250 /nfs/dbraw/zinc/30/82/50/1161308250.db2.gz LNSSBSNOOJJYLH-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001569901475 1161308253 /nfs/dbraw/zinc/30/82/53/1161308253.db2.gz LNSSBSNOOJJYLH-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP C=CC[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCOCC1 ZINC001570307783 1161557506 /nfs/dbraw/zinc/55/75/06/1161557506.db2.gz VXYOLIIOYAEQRR-UHFFFAOYSA-N 2 1 311.426 0.150 20 30 DCEDMP C=CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[NH+](CCOC)CC1 ZINC001574961439 1163820979 /nfs/dbraw/zinc/82/09/79/1163820979.db2.gz YTQDBIOFYBFCSY-AWEZNQCLSA-N 2 1 320.441 0.657 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001633457260 1171642257 /nfs/dbraw/zinc/64/22/57/1171642257.db2.gz CMCGKIWNVHTNBX-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001633457260 1171642260 /nfs/dbraw/zinc/64/22/60/1171642260.db2.gz CMCGKIWNVHTNBX-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001646149806 1172274567 /nfs/dbraw/zinc/27/45/67/1172274567.db2.gz CEOHBKHUMOTOGV-RJZXRHAOSA-N 2 1 304.438 0.924 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001673306742 1174018871 /nfs/dbraw/zinc/01/88/71/1174018871.db2.gz ZPKDLKZGQHTAPA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001664036130 1174387175 /nfs/dbraw/zinc/38/71/75/1174387175.db2.gz CQZRBCCPHNAANQ-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001665553556 1174531257 /nfs/dbraw/zinc/53/12/57/1174531257.db2.gz PNEKVPNGYRTLJO-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001665553556 1174531263 /nfs/dbraw/zinc/53/12/63/1174531263.db2.gz PNEKVPNGYRTLJO-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001667426449 1174681467 /nfs/dbraw/zinc/68/14/67/1174681467.db2.gz NLWJXOOBFGJMEV-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001667426449 1174681470 /nfs/dbraw/zinc/68/14/70/1174681470.db2.gz NLWJXOOBFGJMEV-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001667426449 1174681474 /nfs/dbraw/zinc/68/14/74/1174681474.db2.gz NLWJXOOBFGJMEV-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001667426449 1174681479 /nfs/dbraw/zinc/68/14/79/1174681479.db2.gz NLWJXOOBFGJMEV-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001671998095 1175058009 /nfs/dbraw/zinc/05/80/09/1175058009.db2.gz BWMFHTPUHHWNSS-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671998095 1175058011 /nfs/dbraw/zinc/05/80/11/1175058011.db2.gz BWMFHTPUHHWNSS-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671998095 1175058014 /nfs/dbraw/zinc/05/80/14/1175058014.db2.gz BWMFHTPUHHWNSS-INMHGKMJSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001672294199 1175097434 /nfs/dbraw/zinc/09/74/34/1175097434.db2.gz QSPMMLZVHQRXNZ-OLZOCXBDSA-N 2 1 304.394 0.667 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001673402807 1175199779 /nfs/dbraw/zinc/19/97/79/1175199779.db2.gz XOFADORCBDBFFH-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001673402807 1175199782 /nfs/dbraw/zinc/19/97/82/1175199782.db2.gz XOFADORCBDBFFH-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001673402807 1175199785 /nfs/dbraw/zinc/19/97/85/1175199785.db2.gz XOFADORCBDBFFH-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001674573970 1175284621 /nfs/dbraw/zinc/28/46/21/1175284621.db2.gz QLXDIYYHAYDYSG-SOEBMCCKSA-N 2 1 321.465 0.851 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001676183099 1175426955 /nfs/dbraw/zinc/42/69/55/1175426955.db2.gz GJEXTBSKQZAACN-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001676651085 1175473534 /nfs/dbraw/zinc/47/35/34/1175473534.db2.gz SHUVLDYPQZZFIF-GDBMZVCRSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(CC)CCO1 ZINC001687783874 1176289630 /nfs/dbraw/zinc/28/96/30/1176289630.db2.gz NRBAXNBJBZIDIT-PMPSAXMXSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CCC[N@H+](C)CCOCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001689252511 1176768431 /nfs/dbraw/zinc/76/84/31/1176768431.db2.gz XSWIPVWOTXMYRI-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001689252511 1176768435 /nfs/dbraw/zinc/76/84/35/1176768435.db2.gz XSWIPVWOTXMYRI-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001689252511 1176768441 /nfs/dbraw/zinc/76/84/41/1176768441.db2.gz XSWIPVWOTXMYRI-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCOC)C1 ZINC001690231112 1177196603 /nfs/dbraw/zinc/19/66/03/1177196603.db2.gz BGWGVAGBHBAOKI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCOC)C1 ZINC001690231112 1177196607 /nfs/dbraw/zinc/19/66/07/1177196607.db2.gz BGWGVAGBHBAOKI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001690732424 1177314448 /nfs/dbraw/zinc/31/44/48/1177314448.db2.gz JRMRHVKXDNFAQQ-HUUCEWRRSA-N 2 1 300.406 0.825 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001691946858 1177388892 /nfs/dbraw/zinc/38/88/92/1177388892.db2.gz ULOQIXWDJSYMFI-UHFFFAOYSA-N 2 1 306.454 0.182 20 30 DCEDMP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001692045811 1177409524 /nfs/dbraw/zinc/40/95/24/1177409524.db2.gz AUYRIDFCKIFCKE-MRXNPFEDSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001692045811 1177409528 /nfs/dbraw/zinc/40/95/28/1177409528.db2.gz AUYRIDFCKIFCKE-MRXNPFEDSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001692045811 1177409532 /nfs/dbraw/zinc/40/95/32/1177409532.db2.gz AUYRIDFCKIFCKE-MRXNPFEDSA-N 2 1 309.454 0.635 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001692135891 1177424613 /nfs/dbraw/zinc/42/46/13/1177424613.db2.gz GJJUQTRSJZFRFJ-GFCCVEGCSA-N 2 1 319.409 0.416 20 30 DCEDMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC#CCOC)CC[C@@H]2C1)[NH+](C)C ZINC001692266869 1177470090 /nfs/dbraw/zinc/47/00/90/1177470090.db2.gz BJSAEMIRXXKNPF-IXDOHACOSA-N 2 1 321.465 0.757 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC[C@@H]1CCOC1 ZINC001698988520 1177753331 /nfs/dbraw/zinc/75/33/31/1177753331.db2.gz FKDDRTXBXFBARO-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC[C@@H]1CCOC1 ZINC001698988520 1177753338 /nfs/dbraw/zinc/75/33/38/1177753338.db2.gz FKDDRTXBXFBARO-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC[C@@H]1CCOC1 ZINC001698988520 1177753343 /nfs/dbraw/zinc/75/33/43/1177753343.db2.gz FKDDRTXBXFBARO-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC[C@@H]1CCOC1 ZINC001698988520 1177753351 /nfs/dbraw/zinc/75/33/51/1177753351.db2.gz FKDDRTXBXFBARO-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699904441 1178360193 /nfs/dbraw/zinc/36/01/93/1178360193.db2.gz OOTIYKHVXKBODL-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001699998571 1178415520 /nfs/dbraw/zinc/41/55/20/1178415520.db2.gz JBVRMGIMRVEBCC-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001699998571 1178415526 /nfs/dbraw/zinc/41/55/26/1178415526.db2.gz JBVRMGIMRVEBCC-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001699998571 1178415531 /nfs/dbraw/zinc/41/55/31/1178415531.db2.gz JBVRMGIMRVEBCC-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001699998571 1178415535 /nfs/dbraw/zinc/41/55/35/1178415535.db2.gz JBVRMGIMRVEBCC-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001700001569 1178419181 /nfs/dbraw/zinc/41/91/81/1178419181.db2.gz BHGSECGDJWOOQM-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001700001569 1178419188 /nfs/dbraw/zinc/41/91/88/1178419188.db2.gz BHGSECGDJWOOQM-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001700001569 1178419193 /nfs/dbraw/zinc/41/91/93/1178419193.db2.gz BHGSECGDJWOOQM-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001700001569 1178419199 /nfs/dbraw/zinc/41/91/99/1178419199.db2.gz BHGSECGDJWOOQM-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001700001572 1178420367 /nfs/dbraw/zinc/42/03/67/1178420367.db2.gz BHGSECGDJWOOQM-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001700001572 1178420370 /nfs/dbraw/zinc/42/03/70/1178420370.db2.gz BHGSECGDJWOOQM-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001700001572 1178420375 /nfs/dbraw/zinc/42/03/75/1178420375.db2.gz BHGSECGDJWOOQM-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001700001572 1178420378 /nfs/dbraw/zinc/42/03/78/1178420378.db2.gz BHGSECGDJWOOQM-WMZOPIPTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001700004013 1178424476 /nfs/dbraw/zinc/42/44/76/1178424476.db2.gz NOPJBQINNFTLPG-DOTOQJQBSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001700004013 1178424479 /nfs/dbraw/zinc/42/44/79/1178424479.db2.gz NOPJBQINNFTLPG-DOTOQJQBSA-N 2 1 309.454 0.683 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700203872 1178529184 /nfs/dbraw/zinc/52/91/84/1178529184.db2.gz VDBMLSODSLRKIR-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001700462750 1178623314 /nfs/dbraw/zinc/62/33/14/1178623314.db2.gz XXVQZBNIYHUZMM-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001700462750 1178623317 /nfs/dbraw/zinc/62/33/17/1178623317.db2.gz XXVQZBNIYHUZMM-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001700462750 1178623321 /nfs/dbraw/zinc/62/33/21/1178623321.db2.gz XXVQZBNIYHUZMM-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001700462750 1178623325 /nfs/dbraw/zinc/62/33/25/1178623325.db2.gz XXVQZBNIYHUZMM-KBPBESRZSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001700644137 1178688674 /nfs/dbraw/zinc/68/86/74/1178688674.db2.gz LNYQYTNPWPFKCZ-SHTZXODSSA-N 2 1 304.394 0.326 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCCO)C1CC1 ZINC001700724339 1178722833 /nfs/dbraw/zinc/72/28/33/1178722833.db2.gz VJRCJUKQOWXAKK-JKSUJKDBSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCCO)C1CC1 ZINC001700724339 1178722837 /nfs/dbraw/zinc/72/28/37/1178722837.db2.gz VJRCJUKQOWXAKK-JKSUJKDBSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=C)Cl ZINC001700944821 1178821784 /nfs/dbraw/zinc/82/17/84/1178821784.db2.gz YYIFZQUJQYGKNO-KBPBESRZSA-N 2 1 313.829 0.245 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=C)Cl ZINC001700944821 1178821792 /nfs/dbraw/zinc/82/17/92/1178821792.db2.gz YYIFZQUJQYGKNO-KBPBESRZSA-N 2 1 313.829 0.245 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCOC ZINC001701002594 1178865880 /nfs/dbraw/zinc/86/58/80/1178865880.db2.gz HCDBMZQKJNGIBV-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCOC ZINC001701002594 1178865889 /nfs/dbraw/zinc/86/58/89/1178865889.db2.gz HCDBMZQKJNGIBV-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CCOC ZINC001701002594 1178865900 /nfs/dbraw/zinc/86/59/00/1178865900.db2.gz HCDBMZQKJNGIBV-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CCOC ZINC001701002594 1178865911 /nfs/dbraw/zinc/86/59/11/1178865911.db2.gz HCDBMZQKJNGIBV-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001707225433 1180442422 /nfs/dbraw/zinc/44/24/22/1180442422.db2.gz BXRYDCMYOILAMI-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001707225433 1180442423 /nfs/dbraw/zinc/44/24/23/1180442423.db2.gz BXRYDCMYOILAMI-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001707225433 1180442425 /nfs/dbraw/zinc/44/24/25/1180442425.db2.gz BXRYDCMYOILAMI-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001713025289 1180633143 /nfs/dbraw/zinc/63/31/43/1180633143.db2.gz ZDQMTVOFEZXDNY-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001713025289 1180633145 /nfs/dbraw/zinc/63/31/45/1180633145.db2.gz ZDQMTVOFEZXDNY-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001713025289 1180633150 /nfs/dbraw/zinc/63/31/50/1180633150.db2.gz ZDQMTVOFEZXDNY-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001713302141 1180756419 /nfs/dbraw/zinc/75/64/19/1180756419.db2.gz UOPMGKVLRDBOKJ-CABCVRRESA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001713542211 1180913921 /nfs/dbraw/zinc/91/39/21/1180913921.db2.gz SAFFDSXDGXTQCP-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001713564790 1180924883 /nfs/dbraw/zinc/92/48/83/1180924883.db2.gz LAUIJOCNTDKKMP-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001713564790 1180924891 /nfs/dbraw/zinc/92/48/91/1180924891.db2.gz LAUIJOCNTDKKMP-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001713564790 1180924894 /nfs/dbraw/zinc/92/48/94/1180924894.db2.gz LAUIJOCNTDKKMP-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](CC)CC1 ZINC001713742564 1181037283 /nfs/dbraw/zinc/03/72/83/1181037283.db2.gz BAWDEWDQZQMFCY-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](CC)CC1 ZINC001713742564 1181037290 /nfs/dbraw/zinc/03/72/90/1181037290.db2.gz BAWDEWDQZQMFCY-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713745121 1181040541 /nfs/dbraw/zinc/04/05/41/1181040541.db2.gz ULOFZMGEMAXQME-MRXNPFEDSA-N 2 1 306.454 0.037 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001713791262 1181069093 /nfs/dbraw/zinc/06/90/93/1181069093.db2.gz WVORQKQQCPQAIW-OAHLLOKOSA-N 2 1 305.422 0.313 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001713791262 1181069100 /nfs/dbraw/zinc/06/91/00/1181069100.db2.gz WVORQKQQCPQAIW-OAHLLOKOSA-N 2 1 305.422 0.313 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001713801548 1181076008 /nfs/dbraw/zinc/07/60/08/1181076008.db2.gz PCJOOKKHNWXXBV-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](CC)OC)C1 ZINC001713989205 1181185837 /nfs/dbraw/zinc/18/58/37/1181185837.db2.gz QLVWZQQTMRBMCG-FZKCQIBNSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](CC)OC)C1 ZINC001713989205 1181185843 /nfs/dbraw/zinc/18/58/43/1181185843.db2.gz QLVWZQQTMRBMCG-FZKCQIBNSA-N 2 1 307.438 0.746 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001714022626 1181207889 /nfs/dbraw/zinc/20/78/89/1181207889.db2.gz VVKDWIHLUMCELV-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001714022626 1181207894 /nfs/dbraw/zinc/20/78/94/1181207894.db2.gz VVKDWIHLUMCELV-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001714022626 1181207898 /nfs/dbraw/zinc/20/78/98/1181207898.db2.gz VVKDWIHLUMCELV-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001714022626 1181207908 /nfs/dbraw/zinc/20/79/08/1181207908.db2.gz VVKDWIHLUMCELV-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001714173711 1181272540 /nfs/dbraw/zinc/27/25/40/1181272540.db2.gz RADOLFQUGHGNLK-KRWDZBQOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714304995 1181314622 /nfs/dbraw/zinc/31/46/22/1181314622.db2.gz JWYHVHAJMTVACU-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001714610989 1181440033 /nfs/dbraw/zinc/44/00/33/1181440033.db2.gz VPHVZARVOOEKQA-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714640924 1181457804 /nfs/dbraw/zinc/45/78/04/1181457804.db2.gz DJQUFLDIEMJDLF-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714640924 1181457809 /nfs/dbraw/zinc/45/78/09/1181457809.db2.gz DJQUFLDIEMJDLF-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714640924 1181457814 /nfs/dbraw/zinc/45/78/14/1181457814.db2.gz DJQUFLDIEMJDLF-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001714888545 1181587495 /nfs/dbraw/zinc/58/74/95/1181587495.db2.gz UCVRKBLVUJDECR-UHFFFAOYSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001716072890 1182173298 /nfs/dbraw/zinc/17/32/98/1182173298.db2.gz YBSSMQDAUMRNMV-HZPDHXFCSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001716696284 1182497851 /nfs/dbraw/zinc/49/78/51/1182497851.db2.gz CQFJSHAQHGZTKV-JKSUJKDBSA-N 2 1 319.449 0.892 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001716925786 1182580530 /nfs/dbraw/zinc/58/05/30/1182580530.db2.gz HUNNKCKBBDAODE-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716930712 1182586593 /nfs/dbraw/zinc/58/65/93/1182586593.db2.gz UZMVWGJHQKUIAR-QAPCUYQASA-N 2 1 321.465 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001716946878 1182600694 /nfs/dbraw/zinc/60/06/94/1182600694.db2.gz RHZNMZDQLSGTHC-GJZGRUSLSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001717018151 1182624748 /nfs/dbraw/zinc/62/47/48/1182624748.db2.gz AHYXBSQFCLPLIM-UHFFFAOYSA-N 2 1 308.470 0.520 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001717025422 1182632171 /nfs/dbraw/zinc/63/21/71/1182632171.db2.gz HMXZLBAGQCVOCM-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001717025422 1182632174 /nfs/dbraw/zinc/63/21/74/1182632174.db2.gz HMXZLBAGQCVOCM-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001717025422 1182632177 /nfs/dbraw/zinc/63/21/77/1182632177.db2.gz HMXZLBAGQCVOCM-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001717025422 1182632179 /nfs/dbraw/zinc/63/21/79/1182632179.db2.gz HMXZLBAGQCVOCM-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001717059808 1182658152 /nfs/dbraw/zinc/65/81/52/1182658152.db2.gz ZQPVGSGXFZNPST-HNNXBMFYSA-N 2 1 318.421 0.188 20 30 DCEDMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001717190542 1182723119 /nfs/dbraw/zinc/72/31/19/1182723119.db2.gz VTHRQBSPARWABX-MRXNPFEDSA-N 2 1 321.469 0.460 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001723878304 1184357795 /nfs/dbraw/zinc/35/77/95/1184357795.db2.gz ZJCSUBMSVCHJBT-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001724212762 1184402006 /nfs/dbraw/zinc/40/20/06/1184402006.db2.gz BVSVQALGJKYUQV-NUJGCVRESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC001725004894 1184653971 /nfs/dbraw/zinc/65/39/71/1184653971.db2.gz FRYCNGXLKVGORI-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC001725004894 1184653976 /nfs/dbraw/zinc/65/39/76/1184653976.db2.gz FRYCNGXLKVGORI-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001725061055 1184670890 /nfs/dbraw/zinc/67/08/90/1184670890.db2.gz VHWQQGIJWKJPPZ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001725061055 1184670892 /nfs/dbraw/zinc/67/08/92/1184670892.db2.gz VHWQQGIJWKJPPZ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001725343589 1184778075 /nfs/dbraw/zinc/77/80/75/1184778075.db2.gz LDXGFLVXDWOQDE-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001725343589 1184778083 /nfs/dbraw/zinc/77/80/83/1184778083.db2.gz LDXGFLVXDWOQDE-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001725343589 1184778088 /nfs/dbraw/zinc/77/80/88/1184778088.db2.gz LDXGFLVXDWOQDE-UHFFFAOYSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001725675776 1184936405 /nfs/dbraw/zinc/93/64/05/1184936405.db2.gz SRSAYCKRLAVYFG-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC=C)CC1 ZINC001725724133 1184975852 /nfs/dbraw/zinc/97/58/52/1184975852.db2.gz NIJIINRIKDYXOS-INIZCTEOSA-N 2 1 307.438 0.269 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCOC)C1 ZINC001725779145 1184991742 /nfs/dbraw/zinc/99/17/42/1184991742.db2.gz BIVYMDIQQKRFET-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCOC)C1 ZINC001725779145 1184991749 /nfs/dbraw/zinc/99/17/49/1184991749.db2.gz BIVYMDIQQKRFET-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001731367888 1185299067 /nfs/dbraw/zinc/29/90/67/1185299067.db2.gz NQANOPWXDLHBCU-MRXNPFEDSA-N 2 1 308.470 0.638 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccnn1C ZINC001731599259 1185405596 /nfs/dbraw/zinc/40/55/96/1185405596.db2.gz PIRLRHSLADOERC-ZBFHGGJFSA-N 2 1 317.437 0.155 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccnn1C ZINC001731599259 1185405599 /nfs/dbraw/zinc/40/55/99/1185405599.db2.gz PIRLRHSLADOERC-ZBFHGGJFSA-N 2 1 317.437 0.155 20 30 DCEDMP CC#CC[N@@H+](CC)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001731805987 1185495856 /nfs/dbraw/zinc/49/58/56/1185495856.db2.gz RANUOTYQMGFYIC-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001732186467 1185728017 /nfs/dbraw/zinc/72/80/17/1185728017.db2.gz MIRKESKCJHXCSG-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001732186467 1185728021 /nfs/dbraw/zinc/72/80/21/1185728021.db2.gz MIRKESKCJHXCSG-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001733491922 1186300308 /nfs/dbraw/zinc/30/03/08/1186300308.db2.gz IGMRBOAQVWBXRD-SJLPKXTDSA-N 2 1 321.465 0.683 20 30 DCEDMP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733888164 1186487969 /nfs/dbraw/zinc/48/79/69/1186487969.db2.gz CTRBYZLUKGRUGO-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC#CCOC ZINC001734039970 1186527148 /nfs/dbraw/zinc/52/71/48/1186527148.db2.gz VDMXHFRHLPNFPZ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC#CCOC ZINC001734039970 1186527152 /nfs/dbraw/zinc/52/71/52/1186527152.db2.gz VDMXHFRHLPNFPZ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC#CCOC ZINC001734039970 1186527156 /nfs/dbraw/zinc/52/71/56/1186527156.db2.gz VDMXHFRHLPNFPZ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001734076437 1186541067 /nfs/dbraw/zinc/54/10/67/1186541067.db2.gz CJUXHFFGTROEAI-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001734076437 1186541073 /nfs/dbraw/zinc/54/10/73/1186541073.db2.gz CJUXHFFGTROEAI-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001734302792 1186610104 /nfs/dbraw/zinc/61/01/04/1186610104.db2.gz VRQYTFCHWZLZOE-MRXNPFEDSA-N 2 1 318.421 0.668 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001752921485 1188462161 /nfs/dbraw/zinc/46/21/61/1188462161.db2.gz SKYWHRNETBIVAB-UONOGXRCSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001753110444 1188503076 /nfs/dbraw/zinc/50/30/76/1188503076.db2.gz NHGLEWHZDCCHEM-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001753110444 1188503079 /nfs/dbraw/zinc/50/30/79/1188503079.db2.gz NHGLEWHZDCCHEM-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnn(C)c1 ZINC001753198962 1188531542 /nfs/dbraw/zinc/53/15/42/1188531542.db2.gz JJHKQRSEIVDBGQ-HNNXBMFYSA-N 2 1 303.410 0.066 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnn(C)c1 ZINC001753198962 1188531546 /nfs/dbraw/zinc/53/15/46/1188531546.db2.gz JJHKQRSEIVDBGQ-HNNXBMFYSA-N 2 1 303.410 0.066 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001753354668 1188572290 /nfs/dbraw/zinc/57/22/90/1188572290.db2.gz IQLSCFWTKXFHDL-AWEZNQCLSA-N 2 1 310.442 0.021 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001754761883 1188927514 /nfs/dbraw/zinc/92/75/14/1188927514.db2.gz FFKYCZVULBRISZ-KRWDZBQOSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001755160075 1189040464 /nfs/dbraw/zinc/04/04/64/1189040464.db2.gz FGAOVFPPRYYYBF-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC#CCOC ZINC001755328048 1189081423 /nfs/dbraw/zinc/08/14/23/1189081423.db2.gz NQAHMWIRQLJOLA-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC#CCOC ZINC001755328048 1189081425 /nfs/dbraw/zinc/08/14/25/1189081425.db2.gz NQAHMWIRQLJOLA-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC#CCOC ZINC001755328048 1189081428 /nfs/dbraw/zinc/08/14/28/1189081428.db2.gz NQAHMWIRQLJOLA-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837805 751605748 /nfs/dbraw/zinc/60/57/48/751605748.db2.gz GJBPIPCBIOWUOH-NXOAAHMSSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837805 751605755 /nfs/dbraw/zinc/60/57/55/751605755.db2.gz GJBPIPCBIOWUOH-NXOAAHMSSA-N 2 1 312.417 0.994 20 30 DCEDMP C=CCC[NH+]1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001042741757 751879484 /nfs/dbraw/zinc/87/94/84/751879484.db2.gz VRSFIBIDRWHRRA-UHFFFAOYSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089895101 751934179 /nfs/dbraw/zinc/93/41/79/751934179.db2.gz YYXCWMUWFXSEJC-HZMVEIRTSA-N 2 1 313.445 0.884 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167237103 747034250 /nfs/dbraw/zinc/03/42/50/747034250.db2.gz UNWSYTMSFKKVRU-JKSUJKDBSA-N 2 1 321.465 0.710 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247826 747422238 /nfs/dbraw/zinc/42/22/38/747422238.db2.gz GMJHAMBZRJWKQI-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247826 747422241 /nfs/dbraw/zinc/42/22/41/747422241.db2.gz GMJHAMBZRJWKQI-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247826 747422246 /nfs/dbraw/zinc/42/22/46/747422246.db2.gz GMJHAMBZRJWKQI-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168022683 749046547 /nfs/dbraw/zinc/04/65/47/749046547.db2.gz PYYRACYMWFNAAY-HUUCEWRRSA-N 2 1 322.453 0.401 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)O)[C@@H]2CC)CC1 ZINC001087840006 749078069 /nfs/dbraw/zinc/07/80/69/749078069.db2.gz CVCBEYFFSJZLFT-HYVNUMGLSA-N 2 1 321.465 0.682 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524809 750096954 /nfs/dbraw/zinc/09/69/54/750096954.db2.gz KZSGWHDLIGMWMF-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524809 750096963 /nfs/dbraw/zinc/09/69/63/750096963.db2.gz KZSGWHDLIGMWMF-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524809 750096971 /nfs/dbraw/zinc/09/69/71/750096971.db2.gz KZSGWHDLIGMWMF-OAGGEKHMSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083559989 750175282 /nfs/dbraw/zinc/17/52/82/750175282.db2.gz LQKHXJBWLJVHRH-CABCVRRESA-N 2 1 307.438 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)[C@@H]2C)CC1 ZINC001089059491 750781634 /nfs/dbraw/zinc/78/16/34/750781634.db2.gz OKWDSQALXAHSKO-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444410 753196751 /nfs/dbraw/zinc/19/67/51/753196751.db2.gz MUXPEXFWYNGVMV-HOTGVXAUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533864 753230320 /nfs/dbraw/zinc/23/03/20/753230320.db2.gz ZKNODZFWBLSKOY-OAHLLOKOSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533864 753230325 /nfs/dbraw/zinc/23/03/25/753230325.db2.gz ZKNODZFWBLSKOY-OAHLLOKOSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001078666590 753333853 /nfs/dbraw/zinc/33/38/53/753333853.db2.gz WWOFMJBHWISMGF-CABCVRRESA-N 2 1 316.405 1.000 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035821 753439337 /nfs/dbraw/zinc/43/93/37/753439337.db2.gz ULAWPKOAYDNCQR-INIZCTEOSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090261120 754825089 /nfs/dbraw/zinc/82/50/89/754825089.db2.gz MPBUKKMRKBBYTK-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049548718 755310824 /nfs/dbraw/zinc/31/08/24/755310824.db2.gz LUCIIVXEGBJVOU-KLHDSHLOSA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049548718 755310830 /nfs/dbraw/zinc/31/08/30/755310830.db2.gz LUCIIVXEGBJVOU-KLHDSHLOSA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049548718 755310835 /nfs/dbraw/zinc/31/08/35/755310835.db2.gz LUCIIVXEGBJVOU-KLHDSHLOSA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049548718 755310840 /nfs/dbraw/zinc/31/08/40/755310840.db2.gz LUCIIVXEGBJVOU-KLHDSHLOSA-N 2 1 305.422 0.404 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353326 755655311 /nfs/dbraw/zinc/65/53/11/755655311.db2.gz BDMHNJSAGSAIMT-HZPDHXFCSA-N 2 1 321.465 0.990 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)O)CC2)CC1 ZINC001052957033 755884976 /nfs/dbraw/zinc/88/49/76/755884976.db2.gz CJBFVOUOIGDHRA-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC[NH+](C)CC1)CO2 ZINC001053913055 756273737 /nfs/dbraw/zinc/27/37/37/756273737.db2.gz LAAFBPMFPUGTCY-OAHLLOKOSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054007231 756329239 /nfs/dbraw/zinc/32/92/39/756329239.db2.gz BHQJMRRPQIWHOV-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054007231 756329244 /nfs/dbraw/zinc/32/92/44/756329244.db2.gz BHQJMRRPQIWHOV-CABCVRRESA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082558127 757186197 /nfs/dbraw/zinc/18/61/97/757186197.db2.gz AJUPBCJMGMLBRZ-RBSFLKMASA-N 2 1 305.426 0.436 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082934978 757334575 /nfs/dbraw/zinc/33/45/75/757334575.db2.gz DUSWOVQIETYOTL-BNOWGMLFSA-N 2 1 315.845 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082934978 757334584 /nfs/dbraw/zinc/33/45/84/757334584.db2.gz DUSWOVQIETYOTL-BNOWGMLFSA-N 2 1 315.845 0.896 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085678 757485522 /nfs/dbraw/zinc/48/55/22/757485522.db2.gz FPELUPOKFZYMPH-LVQVYYBASA-N 2 1 307.438 0.814 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085678 757485531 /nfs/dbraw/zinc/48/55/31/757485531.db2.gz FPELUPOKFZYMPH-LVQVYYBASA-N 2 1 307.438 0.814 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085678 757485537 /nfs/dbraw/zinc/48/55/37/757485537.db2.gz FPELUPOKFZYMPH-LVQVYYBASA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083106404 757498692 /nfs/dbraw/zinc/49/86/92/757498692.db2.gz AIAKLUHYGOUACD-JKSUJKDBSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106404 757498699 /nfs/dbraw/zinc/49/86/99/757498699.db2.gz AIAKLUHYGOUACD-JKSUJKDBSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106404 757498705 /nfs/dbraw/zinc/49/87/05/757498705.db2.gz AIAKLUHYGOUACD-JKSUJKDBSA-N 2 1 307.438 0.958 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911439 758120616 /nfs/dbraw/zinc/12/06/16/758120616.db2.gz CIMSWDRLDCMFRJ-OWCLPIDISA-N 2 1 305.422 0.263 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368719 762655786 /nfs/dbraw/zinc/65/57/86/762655786.db2.gz XVSLWHIVIHFZRK-QGZVFWFLSA-N 2 1 321.465 0.800 20 30 DCEDMP C[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052074077 759159995 /nfs/dbraw/zinc/15/99/95/759159995.db2.gz TYRYMJCWUGGWFX-INIZCTEOSA-N 2 1 319.453 0.070 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098391309 759208790 /nfs/dbraw/zinc/20/87/90/759208790.db2.gz AHHZHYAPANHAKI-QGZVFWFLSA-N 2 1 321.465 0.635 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086091702 759704724 /nfs/dbraw/zinc/70/47/24/759704724.db2.gz KCDLGSACGPBMPV-QXSJWSMHSA-N 2 1 307.438 0.910 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001098408407 759731856 /nfs/dbraw/zinc/73/18/56/759731856.db2.gz TXYKYXSBJRTDSC-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098408407 759731860 /nfs/dbraw/zinc/73/18/60/759731860.db2.gz TXYKYXSBJRTDSC-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098408407 759731866 /nfs/dbraw/zinc/73/18/66/759731866.db2.gz TXYKYXSBJRTDSC-MRXNPFEDSA-N 2 1 307.438 0.389 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148655192 768024314 /nfs/dbraw/zinc/02/43/14/768024314.db2.gz JPYQJMGGNMZMCY-UHFFFAOYSA-N 2 1 310.442 0.235 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403412 761398970 /nfs/dbraw/zinc/39/89/70/761398970.db2.gz FNMXSICFZJBTJX-PMPSAXMXSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403412 761398980 /nfs/dbraw/zinc/39/89/80/761398980.db2.gz FNMXSICFZJBTJX-PMPSAXMXSA-N 2 1 319.449 0.842 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653069 761493827 /nfs/dbraw/zinc/49/38/27/761493827.db2.gz MHEYMMIWPUSGNQ-ILXRZTDVSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653069 761493837 /nfs/dbraw/zinc/49/38/37/761493837.db2.gz MHEYMMIWPUSGNQ-ILXRZTDVSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241367 761732670 /nfs/dbraw/zinc/73/26/70/761732670.db2.gz SVWKGUMJCNKWHZ-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001099171979 762825961 /nfs/dbraw/zinc/82/59/61/762825961.db2.gz PBJDFRWEAHMRPO-ZOBUZTSGSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001099171979 762825967 /nfs/dbraw/zinc/82/59/67/762825967.db2.gz PBJDFRWEAHMRPO-ZOBUZTSGSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099171979 762825972 /nfs/dbraw/zinc/82/59/72/762825972.db2.gz PBJDFRWEAHMRPO-ZOBUZTSGSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099171979 762825976 /nfs/dbraw/zinc/82/59/76/762825976.db2.gz PBJDFRWEAHMRPO-ZOBUZTSGSA-N 2 1 305.422 0.311 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407247 762929747 /nfs/dbraw/zinc/92/97/47/762929747.db2.gz KCHMQIUGWLNRAL-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407247 762929756 /nfs/dbraw/zinc/92/97/56/762929756.db2.gz KCHMQIUGWLNRAL-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407247 762929761 /nfs/dbraw/zinc/92/97/61/762929761.db2.gz KCHMQIUGWLNRAL-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](OC)C1CCC1 ZINC001129770612 763008503 /nfs/dbraw/zinc/00/85/03/763008503.db2.gz JUIKKFMURWWIFT-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](OC)C1CCC1 ZINC001129770612 763008511 /nfs/dbraw/zinc/00/85/11/763008511.db2.gz JUIKKFMURWWIFT-HOTGVXAUSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099874180 763092641 /nfs/dbraw/zinc/09/26/41/763092641.db2.gz HFAGOQRYVDDPMW-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100319524 763486405 /nfs/dbraw/zinc/48/64/05/763486405.db2.gz QBYLCQYUNJRJKI-OFLPRAFFSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780385 768139771 /nfs/dbraw/zinc/13/97/71/768139771.db2.gz IGZOCPXFGMBENX-ANQUJSFKSA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780385 768139772 /nfs/dbraw/zinc/13/97/72/768139772.db2.gz IGZOCPXFGMBENX-ANQUJSFKSA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780385 768139774 /nfs/dbraw/zinc/13/97/74/768139774.db2.gz IGZOCPXFGMBENX-ANQUJSFKSA-N 2 1 307.438 0.672 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780385 768139776 /nfs/dbraw/zinc/13/97/76/768139776.db2.gz IGZOCPXFGMBENX-ANQUJSFKSA-N 2 1 307.438 0.672 20 30 DCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001100523038 763632653 /nfs/dbraw/zinc/63/26/53/763632653.db2.gz SHOCUAFLCCEGFH-QFQXCOSMSA-N 2 1 317.433 0.357 20 30 DCEDMP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381444 763781776 /nfs/dbraw/zinc/78/17/76/763781776.db2.gz OLXNKXHEPOOAOR-UHFFFAOYSA-N 2 1 310.442 0.165 20 30 DCEDMP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381444 763781779 /nfs/dbraw/zinc/78/17/79/763781779.db2.gz OLXNKXHEPOOAOR-UHFFFAOYSA-N 2 1 310.442 0.165 20 30 DCEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001131390713 763796274 /nfs/dbraw/zinc/79/62/74/763796274.db2.gz MSEZPPXVULUSAL-UHFFFAOYSA-N 2 1 322.453 0.002 20 30 DCEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131390713 763796277 /nfs/dbraw/zinc/79/62/77/763796277.db2.gz MSEZPPXVULUSAL-UHFFFAOYSA-N 2 1 322.453 0.002 20 30 DCEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001131390713 763796284 /nfs/dbraw/zinc/79/62/84/763796284.db2.gz MSEZPPXVULUSAL-UHFFFAOYSA-N 2 1 322.453 0.002 20 30 DCEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001131390713 763796292 /nfs/dbraw/zinc/79/62/92/763796292.db2.gz MSEZPPXVULUSAL-UHFFFAOYSA-N 2 1 322.453 0.002 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131396753 763798622 /nfs/dbraw/zinc/79/86/22/763798622.db2.gz AXTICBFNVNTHNA-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131396753 763798630 /nfs/dbraw/zinc/79/86/30/763798630.db2.gz AXTICBFNVNTHNA-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001131396753 763798634 /nfs/dbraw/zinc/79/86/34/763798634.db2.gz AXTICBFNVNTHNA-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001131396753 763798643 /nfs/dbraw/zinc/79/86/43/763798643.db2.gz AXTICBFNVNTHNA-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519263 763842685 /nfs/dbraw/zinc/84/26/85/763842685.db2.gz BVECTRALDZDOCU-GJEMEMOUSA-N 2 1 307.438 0.910 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100898630 763847395 /nfs/dbraw/zinc/84/73/95/763847395.db2.gz ROZHGRWPPPRPFY-UHFFFAOYSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131694118 763955184 /nfs/dbraw/zinc/95/51/84/763955184.db2.gz UOKFGHOMHZOQBW-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131694118 763955188 /nfs/dbraw/zinc/95/51/88/763955188.db2.gz UOKFGHOMHZOQBW-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131694118 763955195 /nfs/dbraw/zinc/95/51/95/763955195.db2.gz UOKFGHOMHZOQBW-RDJZCZTQSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815827 764053849 /nfs/dbraw/zinc/05/38/49/764053849.db2.gz VLFSRANOYZYEHV-UHFFFAOYSA-N 2 1 309.454 0.997 20 30 DCEDMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC#CCOC)C[C@@]2(C)C1)[NH+](C)C ZINC001101365804 764074135 /nfs/dbraw/zinc/07/41/35/764074135.db2.gz KNEDYEHJFZOXQJ-RYRKJORJSA-N 2 1 321.465 0.757 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@@H]1C ZINC001132128816 764263961 /nfs/dbraw/zinc/26/39/61/764263961.db2.gz OTAHWTIRJXSWIZ-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@@H]1C ZINC001132128816 764263968 /nfs/dbraw/zinc/26/39/68/764263968.db2.gz OTAHWTIRJXSWIZ-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132265494 764343557 /nfs/dbraw/zinc/34/35/57/764343557.db2.gz NUTWQQBTBUCNEO-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132265494 764343562 /nfs/dbraw/zinc/34/35/62/764343562.db2.gz NUTWQQBTBUCNEO-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098479192 764492563 /nfs/dbraw/zinc/49/25/63/764492563.db2.gz WRMYISIEEAGHKM-RDJZCZTQSA-N 2 1 321.465 0.493 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479192 764492569 /nfs/dbraw/zinc/49/25/69/764492569.db2.gz WRMYISIEEAGHKM-RDJZCZTQSA-N 2 1 321.465 0.493 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479192 764492573 /nfs/dbraw/zinc/49/25/73/764492573.db2.gz WRMYISIEEAGHKM-RDJZCZTQSA-N 2 1 321.465 0.493 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833719 765163736 /nfs/dbraw/zinc/16/37/36/765163736.db2.gz DKLGARSSKUDBPF-OAHLLOKOSA-N 2 1 322.453 0.377 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845979 765179570 /nfs/dbraw/zinc/17/95/70/765179570.db2.gz QZLYXZPFXVXMNM-OAHLLOKOSA-N 2 1 324.469 0.459 20 30 DCEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133865697 765191130 /nfs/dbraw/zinc/19/11/30/765191130.db2.gz FDKPBBNLFPDNKI-XJKSGUPXSA-N 2 1 300.406 0.962 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115151746 765609006 /nfs/dbraw/zinc/60/90/06/765609006.db2.gz LCFHACRGNKUSOA-TTZDDIAXSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115151746 765609008 /nfs/dbraw/zinc/60/90/08/765609008.db2.gz LCFHACRGNKUSOA-TTZDDIAXSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115151746 765609012 /nfs/dbraw/zinc/60/90/12/765609012.db2.gz LCFHACRGNKUSOA-TTZDDIAXSA-N 2 1 322.453 0.065 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 ZINC001090765845 766568392 /nfs/dbraw/zinc/56/83/92/766568392.db2.gz YPSYAKCGTFTVSX-HIFRSBDPSA-N 2 1 306.410 0.778 20 30 DCEDMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#CCOC ZINC001147359579 767724378 /nfs/dbraw/zinc/72/43/78/767724378.db2.gz SSSWSFZHWFQHLM-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001093597004 768653973 /nfs/dbraw/zinc/65/39/73/768653973.db2.gz SOHOCFATGCMBPI-OAHLLOKOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001093597004 768653978 /nfs/dbraw/zinc/65/39/78/768653978.db2.gz SOHOCFATGCMBPI-OAHLLOKOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150192307 769033387 /nfs/dbraw/zinc/03/33/87/769033387.db2.gz CVSBZCXABCABEU-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151408479 769331995 /nfs/dbraw/zinc/33/19/95/769331995.db2.gz KRJBSBHHLMOLCG-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001151412520 769334029 /nfs/dbraw/zinc/33/40/29/769334029.db2.gz HGTRXFIXZMYBQF-UHFFFAOYSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171873630 769384902 /nfs/dbraw/zinc/38/49/02/769384902.db2.gz SHAYZRIOJFINPT-CTMQZQKCSA-N 2 1 319.449 0.747 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203337837 769411375 /nfs/dbraw/zinc/41/13/75/769411375.db2.gz WJYBEFIMQGIXHS-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cc(C)n(C)n2)CC1 ZINC001152334613 769529574 /nfs/dbraw/zinc/52/95/74/769529574.db2.gz KNRIISGTAQIYHI-UHFFFAOYSA-N 2 1 317.437 0.280 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828377 769952655 /nfs/dbraw/zinc/95/26/55/769952655.db2.gz KVUWYAKEUCRSRE-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828377 769952662 /nfs/dbraw/zinc/95/26/62/769952662.db2.gz KVUWYAKEUCRSRE-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)OC ZINC001153864343 769973489 /nfs/dbraw/zinc/97/34/89/769973489.db2.gz QPZYGQJSVDFJKP-OAGGEKHMSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)OC ZINC001153864343 769973493 /nfs/dbraw/zinc/97/34/93/769973493.db2.gz QPZYGQJSVDFJKP-OAGGEKHMSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](C)OC ZINC001153864343 769973499 /nfs/dbraw/zinc/97/34/99/769973499.db2.gz QPZYGQJSVDFJKP-OAGGEKHMSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](C)OC ZINC001153864343 769973507 /nfs/dbraw/zinc/97/35/07/769973507.db2.gz QPZYGQJSVDFJKP-OAGGEKHMSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H]1CCOC1 ZINC001153868462 769975736 /nfs/dbraw/zinc/97/57/36/769975736.db2.gz SOQRZGLOINJPOE-IKGGRYGDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H]1CCOC1 ZINC001153868462 769975747 /nfs/dbraw/zinc/97/57/47/769975747.db2.gz SOQRZGLOINJPOE-IKGGRYGDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H]1CCOC1 ZINC001153868462 769975760 /nfs/dbraw/zinc/97/57/60/769975760.db2.gz SOQRZGLOINJPOE-IKGGRYGDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H]1CCOC1 ZINC001153868462 769975772 /nfs/dbraw/zinc/97/57/72/769975772.db2.gz SOQRZGLOINJPOE-IKGGRYGDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001183353930 771637655 /nfs/dbraw/zinc/63/76/55/771637655.db2.gz HKQVTLKUONDLEZ-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001183353930 771637658 /nfs/dbraw/zinc/63/76/58/771637658.db2.gz HKQVTLKUONDLEZ-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158434884 771774074 /nfs/dbraw/zinc/77/40/74/771774074.db2.gz OPNZSHYRPIATMP-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158434884 771774077 /nfs/dbraw/zinc/77/40/77/771774077.db2.gz OPNZSHYRPIATMP-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001185090451 771859613 /nfs/dbraw/zinc/85/96/13/771859613.db2.gz MBPKRCGSYVKSDA-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159900934 771973622 /nfs/dbraw/zinc/97/36/22/771973622.db2.gz DSVCFTNQHPYVQS-OAHLLOKOSA-N 2 1 324.469 0.647 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1conc1CC ZINC001160197649 772007138 /nfs/dbraw/zinc/00/71/38/772007138.db2.gz BQNANLWVRQLZLB-INIZCTEOSA-N 2 1 318.421 0.931 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1conc1CC ZINC001160197649 772007142 /nfs/dbraw/zinc/00/71/42/772007142.db2.gz BQNANLWVRQLZLB-INIZCTEOSA-N 2 1 318.421 0.931 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC12CCOCC2 ZINC001186311012 772030651 /nfs/dbraw/zinc/03/06/51/772030651.db2.gz PONLROIACXBXTP-JKSUJKDBSA-N 2 1 319.449 0.559 20 30 DCEDMP COC(=O)c1cc(C#N)cnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160519417 772057211 /nfs/dbraw/zinc/05/72/11/772057211.db2.gz LAKKUEYKZDJBRM-MRXNPFEDSA-N 2 1 315.377 0.575 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC12CCOCC2 ZINC001186552715 772060025 /nfs/dbraw/zinc/06/00/25/772060025.db2.gz KUSOCBKSDOLKJR-HOTGVXAUSA-N 2 1 321.465 0.969 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187276526 772159108 /nfs/dbraw/zinc/15/91/08/772159108.db2.gz MUULBWOBBVAOPI-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001187307146 772172735 /nfs/dbraw/zinc/17/27/35/772172735.db2.gz WPJHJFKOVRXVAJ-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561359 772318426 /nfs/dbraw/zinc/31/84/26/772318426.db2.gz BEPKCWIDIGICHA-JKSUJKDBSA-N 2 1 318.421 0.927 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561359 772318432 /nfs/dbraw/zinc/31/84/32/772318432.db2.gz BEPKCWIDIGICHA-JKSUJKDBSA-N 2 1 318.421 0.927 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699912 772448511 /nfs/dbraw/zinc/44/85/11/772448511.db2.gz WYPZUJJWSMQDHU-KGLIPLIRSA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190195272 772604877 /nfs/dbraw/zinc/60/48/77/772604877.db2.gz DBEUIXRTWXHNPB-IAGOWNOFSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134733 772871964 /nfs/dbraw/zinc/87/19/64/772871964.db2.gz MSGALDXKURPQHE-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134733 772871966 /nfs/dbraw/zinc/87/19/66/772871966.db2.gz MSGALDXKURPQHE-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192386877 772913467 /nfs/dbraw/zinc/91/34/67/772913467.db2.gz SLVMSAFJFNZSGQ-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192386877 772913471 /nfs/dbraw/zinc/91/34/71/772913471.db2.gz SLVMSAFJFNZSGQ-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345568 772988168 /nfs/dbraw/zinc/98/81/68/772988168.db2.gz RCGMWXHFHVQMAF-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436091 773206047 /nfs/dbraw/zinc/20/60/47/773206047.db2.gz WBEPXWYZWAKISN-HNNXBMFYSA-N 2 1 305.426 0.917 20 30 DCEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207436091 773206050 /nfs/dbraw/zinc/20/60/50/773206050.db2.gz WBEPXWYZWAKISN-HNNXBMFYSA-N 2 1 305.426 0.917 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210277588 773694275 /nfs/dbraw/zinc/69/42/75/773694275.db2.gz VKWLKGHOVCOICQ-OWCLPIDISA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210277588 773694278 /nfs/dbraw/zinc/69/42/78/773694278.db2.gz VKWLKGHOVCOICQ-OWCLPIDISA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210277588 773694284 /nfs/dbraw/zinc/69/42/84/773694284.db2.gz VKWLKGHOVCOICQ-OWCLPIDISA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211366466 773796395 /nfs/dbraw/zinc/79/63/95/773796395.db2.gz DHYUECPABAFKLI-RBSFLKMASA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211366466 773796396 /nfs/dbraw/zinc/79/63/96/773796396.db2.gz DHYUECPABAFKLI-RBSFLKMASA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366466 773796397 /nfs/dbraw/zinc/79/63/97/773796397.db2.gz DHYUECPABAFKLI-RBSFLKMASA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366466 773796398 /nfs/dbraw/zinc/79/63/98/773796398.db2.gz DHYUECPABAFKLI-RBSFLKMASA-N 2 1 324.469 0.454 20 30 DCEDMP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001199384313 774100794 /nfs/dbraw/zinc/10/07/94/774100794.db2.gz GYQWBXGLOWWURO-IAGOWNOFSA-N 2 1 317.433 0.856 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479219 774360588 /nfs/dbraw/zinc/36/05/88/774360588.db2.gz OOHHRFJNTSYSCY-JKSUJKDBSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658455 774392689 /nfs/dbraw/zinc/39/26/89/774392689.db2.gz NEXVCNKMQLEQIA-JKSUJKDBSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200806429 774411766 /nfs/dbraw/zinc/41/17/66/774411766.db2.gz PVLZZWRUDYGEKX-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201244984 774471039 /nfs/dbraw/zinc/47/10/39/774471039.db2.gz BOEIIBKYBHKRHQ-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219919585 774645449 /nfs/dbraw/zinc/64/54/49/774645449.db2.gz DIKDZYXBPADJAM-CABCVRRESA-N 2 1 309.454 0.987 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219919585 774645452 /nfs/dbraw/zinc/64/54/52/774645452.db2.gz DIKDZYXBPADJAM-CABCVRRESA-N 2 1 309.454 0.987 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219919585 774645457 /nfs/dbraw/zinc/64/54/57/774645457.db2.gz DIKDZYXBPADJAM-CABCVRRESA-N 2 1 309.454 0.987 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219919585 774645460 /nfs/dbraw/zinc/64/54/60/774645460.db2.gz DIKDZYXBPADJAM-CABCVRRESA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220128475 774701433 /nfs/dbraw/zinc/70/14/33/774701433.db2.gz GKSPDIWLLSAVGR-KBPBESRZSA-N 2 1 305.378 0.119 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001202496523 774728278 /nfs/dbraw/zinc/72/82/78/774728278.db2.gz ULVQNSFWQPCSPU-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114413900 774851248 /nfs/dbraw/zinc/85/12/48/774851248.db2.gz ITBMTBWPUZYBJH-QLPKVWCKSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114413900 774851254 /nfs/dbraw/zinc/85/12/54/774851254.db2.gz ITBMTBWPUZYBJH-QLPKVWCKSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114413900 774851261 /nfs/dbraw/zinc/85/12/61/774851261.db2.gz ITBMTBWPUZYBJH-QLPKVWCKSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227797882 776007682 /nfs/dbraw/zinc/00/76/82/776007682.db2.gz OKZOCSBOTGKKDG-HNNXBMFYSA-N 2 1 305.426 0.580 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228878928 776133039 /nfs/dbraw/zinc/13/30/39/776133039.db2.gz AQPBJTIZMOUGQJ-UHFFFAOYSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262603 776270808 /nfs/dbraw/zinc/27/08/08/776270808.db2.gz JJGYJOAETPIEFN-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284360 776275817 /nfs/dbraw/zinc/27/58/17/776275817.db2.gz ALXDQOSFWSBLMM-HZPDHXFCSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCOC)C2)C1 ZINC001041368900 777232966 /nfs/dbraw/zinc/23/29/66/777232966.db2.gz SEPARAPTAUOXKR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCOC)C2)C1 ZINC001041368900 777232975 /nfs/dbraw/zinc/23/29/75/777232975.db2.gz SEPARAPTAUOXKR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCOC)C2)C1 ZINC001041368900 777232978 /nfs/dbraw/zinc/23/29/78/777232978.db2.gz SEPARAPTAUOXKR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCOC)C2)C1 ZINC001041368900 777232987 /nfs/dbraw/zinc/23/29/87/777232987.db2.gz SEPARAPTAUOXKR-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270501 777821075 /nfs/dbraw/zinc/82/10/75/777821075.db2.gz OWGRMEABTAVHRB-HZPDHXFCSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270501 777821086 /nfs/dbraw/zinc/82/10/86/777821086.db2.gz OWGRMEABTAVHRB-HZPDHXFCSA-N 2 1 307.438 0.818 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001317637361 945132409 /nfs/dbraw/zinc/13/24/09/945132409.db2.gz XIFWACPZGCFVJQ-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001317810983 945193191 /nfs/dbraw/zinc/19/31/91/945193191.db2.gz HPDOXRODSBYTQZ-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001317862914 945209510 /nfs/dbraw/zinc/20/95/10/945209510.db2.gz JVEPNDNQOQBFDA-HNNXBMFYSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317862914 945209514 /nfs/dbraw/zinc/20/95/14/945209514.db2.gz JVEPNDNQOQBFDA-HNNXBMFYSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317862914 945209520 /nfs/dbraw/zinc/20/95/20/945209520.db2.gz JVEPNDNQOQBFDA-HNNXBMFYSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001278307814 945214108 /nfs/dbraw/zinc/21/41/08/945214108.db2.gz HZGWEEBQSPUMLO-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266246562 939026079 /nfs/dbraw/zinc/02/60/79/939026079.db2.gz RWOADBKKTLIICB-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001266246562 939026083 /nfs/dbraw/zinc/02/60/83/939026083.db2.gz RWOADBKKTLIICB-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266246562 939026084 /nfs/dbraw/zinc/02/60/84/939026084.db2.gz RWOADBKKTLIICB-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266246562 939026087 /nfs/dbraw/zinc/02/60/87/939026087.db2.gz RWOADBKKTLIICB-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266246562 939026090 /nfs/dbraw/zinc/02/60/90/939026090.db2.gz RWOADBKKTLIICB-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266513747 939146222 /nfs/dbraw/zinc/14/62/22/939146222.db2.gz GHPYZMGKOVXLKU-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266513747 939146223 /nfs/dbraw/zinc/14/62/23/939146223.db2.gz GHPYZMGKOVXLKU-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266513747 939146226 /nfs/dbraw/zinc/14/62/26/939146226.db2.gz GHPYZMGKOVXLKU-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C[C@H](C)OC)C2CC2)CC1 ZINC001266621615 939181609 /nfs/dbraw/zinc/18/16/09/939181609.db2.gz IMMINFKWSVNSEP-HNNXBMFYSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC(OCC)C1 ZINC001266728751 939222283 /nfs/dbraw/zinc/22/22/83/939222283.db2.gz KEJFVALIKBVRSP-JCYILVPMSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC(OCC)C1 ZINC001266728751 939222285 /nfs/dbraw/zinc/22/22/85/939222285.db2.gz KEJFVALIKBVRSP-JCYILVPMSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCCO ZINC001267169306 939368622 /nfs/dbraw/zinc/36/86/22/939368622.db2.gz NAGJNLQUPOWFQG-IRXDYDNUSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCCO ZINC001267169306 939368624 /nfs/dbraw/zinc/36/86/24/939368624.db2.gz NAGJNLQUPOWFQG-IRXDYDNUSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCO ZINC001267169306 939368629 /nfs/dbraw/zinc/36/86/29/939368629.db2.gz NAGJNLQUPOWFQG-IRXDYDNUSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCO ZINC001267169306 939368632 /nfs/dbraw/zinc/36/86/32/939368632.db2.gz NAGJNLQUPOWFQG-IRXDYDNUSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001267247168 939401735 /nfs/dbraw/zinc/40/17/35/939401735.db2.gz BOUKEZFZTLQTEP-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](CC)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001267247168 939401738 /nfs/dbraw/zinc/40/17/38/939401738.db2.gz BOUKEZFZTLQTEP-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](CC)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001267247168 939401740 /nfs/dbraw/zinc/40/17/40/939401740.db2.gz BOUKEZFZTLQTEP-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C[C@H](C)O)C(C)C ZINC001267503079 939478940 /nfs/dbraw/zinc/47/89/40/939478940.db2.gz OKNHPEDSEHQVLS-HOTGVXAUSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C[C@H](C)O)C(C)C ZINC001267503079 939478942 /nfs/dbraw/zinc/47/89/42/939478942.db2.gz OKNHPEDSEHQVLS-HOTGVXAUSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C[C@H](C)O)C(C)C ZINC001267503079 939478944 /nfs/dbraw/zinc/47/89/44/939478944.db2.gz OKNHPEDSEHQVLS-HOTGVXAUSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C[C@H](C)O)C(C)C ZINC001267503079 939478946 /nfs/dbraw/zinc/47/89/46/939478946.db2.gz OKNHPEDSEHQVLS-HOTGVXAUSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001267567192 939502244 /nfs/dbraw/zinc/50/22/44/939502244.db2.gz MHVCAXIQYJKTCX-OAHLLOKOSA-N 2 1 317.437 0.520 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267791187 939683711 /nfs/dbraw/zinc/68/37/11/939683711.db2.gz VWTNUJCEISZCQN-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267791187 939683707 /nfs/dbraw/zinc/68/37/07/939683707.db2.gz VWTNUJCEISZCQN-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267791187 939683708 /nfs/dbraw/zinc/68/37/08/939683708.db2.gz VWTNUJCEISZCQN-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267791187 939683709 /nfs/dbraw/zinc/68/37/09/939683709.db2.gz VWTNUJCEISZCQN-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267791187 939683712 /nfs/dbraw/zinc/68/37/12/939683712.db2.gz VWTNUJCEISZCQN-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001481649229 940009542 /nfs/dbraw/zinc/00/95/42/940009542.db2.gz FRCSLJCYYQVDHV-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001481649229 940009544 /nfs/dbraw/zinc/00/95/44/940009544.db2.gz FRCSLJCYYQVDHV-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001268329416 940062405 /nfs/dbraw/zinc/06/24/05/940062405.db2.gz UAJYOXOWGCZUNW-HOTGVXAUSA-N 2 1 303.406 0.379 20 30 DCEDMP COCC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481737657 940100024 /nfs/dbraw/zinc/10/00/24/940100024.db2.gz AMHNZUYWVPUXHJ-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481737657 940100026 /nfs/dbraw/zinc/10/00/26/940100026.db2.gz AMHNZUYWVPUXHJ-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481737657 940100030 /nfs/dbraw/zinc/10/00/30/940100030.db2.gz AMHNZUYWVPUXHJ-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481737657 940100031 /nfs/dbraw/zinc/10/00/31/940100031.db2.gz AMHNZUYWVPUXHJ-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481737657 940100033 /nfs/dbraw/zinc/10/00/33/940100033.db2.gz AMHNZUYWVPUXHJ-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001481746791 940106699 /nfs/dbraw/zinc/10/66/99/940106699.db2.gz IWSZSRBTNCGWIY-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001481746791 940106701 /nfs/dbraw/zinc/10/67/01/940106701.db2.gz IWSZSRBTNCGWIY-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=CCNC(=O)CN1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001278426618 945325420 /nfs/dbraw/zinc/32/54/20/945325420.db2.gz IMHBHUHNNPXPOA-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCOC)C2)CC1 ZINC001269296327 940674786 /nfs/dbraw/zinc/67/47/86/940674786.db2.gz MARBMZPHPGJHLP-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001269736472 940766979 /nfs/dbraw/zinc/76/69/79/940766979.db2.gz KKCQBPBAQOTTRB-QGZVFWFLSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CCO)CC1 ZINC001270364570 940888005 /nfs/dbraw/zinc/88/80/05/940888005.db2.gz QXJNSUIAFHAWSI-UHFFFAOYSA-N 2 1 304.394 0.110 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001270925211 941225637 /nfs/dbraw/zinc/22/56/37/941225637.db2.gz AVRIVQLVBKZTLT-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001271152194 941291820 /nfs/dbraw/zinc/29/18/20/941291820.db2.gz KFEQIQCCEKAMEX-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001271152194 941291822 /nfs/dbraw/zinc/29/18/22/941291822.db2.gz KFEQIQCCEKAMEX-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001271152194 941291826 /nfs/dbraw/zinc/29/18/26/941291826.db2.gz KFEQIQCCEKAMEX-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCOC(C)C ZINC001272033003 941535298 /nfs/dbraw/zinc/53/52/98/941535298.db2.gz DWWAXIXYDRYCIR-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCOC(C)C ZINC001272033003 941535303 /nfs/dbraw/zinc/53/53/03/941535303.db2.gz DWWAXIXYDRYCIR-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCOC(C)C ZINC001272033003 941535307 /nfs/dbraw/zinc/53/53/07/941535307.db2.gz DWWAXIXYDRYCIR-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCOC(C)C ZINC001272033003 941535311 /nfs/dbraw/zinc/53/53/11/941535311.db2.gz DWWAXIXYDRYCIR-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCCC1 ZINC001482739495 941651243 /nfs/dbraw/zinc/65/12/43/941651243.db2.gz USPKXUDXYUDNNU-CVEARBPZSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCCC1 ZINC001482739495 941651245 /nfs/dbraw/zinc/65/12/45/941651245.db2.gz USPKXUDXYUDNNU-CVEARBPZSA-N 2 1 307.438 0.341 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077439976 942403702 /nfs/dbraw/zinc/40/37/02/942403702.db2.gz AZMWLURCDQBUAI-OAGGEKHMSA-N 2 1 307.438 0.598 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077439976 942403705 /nfs/dbraw/zinc/40/37/05/942403705.db2.gz AZMWLURCDQBUAI-OAGGEKHMSA-N 2 1 307.438 0.598 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483650272 942623779 /nfs/dbraw/zinc/62/37/79/942623779.db2.gz DOXZBKPSHNFPJM-HZPDHXFCSA-N 2 1 307.438 0.721 20 30 DCEDMP C#CCN1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001484196131 943187280 /nfs/dbraw/zinc/18/72/80/943187280.db2.gz PZAXORHNMFMMJN-CYBMUJFWSA-N 2 1 310.348 0.898 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484423789 943369296 /nfs/dbraw/zinc/36/92/96/943369296.db2.gz UGTXHVCVUOXKDB-HNNXBMFYSA-N 2 1 308.470 0.684 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001484459864 943404064 /nfs/dbraw/zinc/40/40/64/943404064.db2.gz YYSXAPRVUITJTE-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484459864 943404065 /nfs/dbraw/zinc/40/40/65/943404065.db2.gz YYSXAPRVUITJTE-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001484459864 943404067 /nfs/dbraw/zinc/40/40/67/943404067.db2.gz YYSXAPRVUITJTE-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001485102496 943692968 /nfs/dbraw/zinc/69/29/68/943692968.db2.gz HODXUNPOZLCPCY-SHARSMKWSA-N 2 1 300.406 0.872 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001485418892 943933542 /nfs/dbraw/zinc/93/35/42/943933542.db2.gz JTZAUMHHJZZCDT-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001485418892 943933546 /nfs/dbraw/zinc/93/35/46/943933546.db2.gz JTZAUMHHJZZCDT-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001485482210 943956455 /nfs/dbraw/zinc/95/64/55/943956455.db2.gz JSQKSUIJSHRZFL-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001485482210 943956459 /nfs/dbraw/zinc/95/64/59/943956459.db2.gz JSQKSUIJSHRZFL-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001485766984 944123935 /nfs/dbraw/zinc/12/39/35/944123935.db2.gz SOEOCRPISSYSEB-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485766984 944123936 /nfs/dbraw/zinc/12/39/36/944123936.db2.gz SOEOCRPISSYSEB-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001485766984 944123940 /nfs/dbraw/zinc/12/39/40/944123940.db2.gz SOEOCRPISSYSEB-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001486010663 944496378 /nfs/dbraw/zinc/49/63/78/944496378.db2.gz LRSBHGPIOJCBAT-CQSZACIVSA-N 2 1 309.454 0.729 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001486302308 944747372 /nfs/dbraw/zinc/74/73/72/944747372.db2.gz DKUJBQFTYVCXFP-AWEZNQCLSA-N 2 1 306.410 0.439 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317079962 944783144 /nfs/dbraw/zinc/78/31/44/944783144.db2.gz ALEVTXNCLHIXCT-ZQDZILKHSA-N 2 1 322.453 0.398 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317341912 944932769 /nfs/dbraw/zinc/93/27/69/944932769.db2.gz DLCMHJKFGKUPHR-OAHLLOKOSA-N 2 1 304.394 0.279 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317381547 944946576 /nfs/dbraw/zinc/94/65/76/944946576.db2.gz MDOKITYRAPYJGJ-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001317380865 944946770 /nfs/dbraw/zinc/94/67/70/944946770.db2.gz IGFWVFCCAYWVPE-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001317380865 944946777 /nfs/dbraw/zinc/94/67/77/944946777.db2.gz IGFWVFCCAYWVPE-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001317380865 944946781 /nfs/dbraw/zinc/94/67/81/944946781.db2.gz IGFWVFCCAYWVPE-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001317380865 944946785 /nfs/dbraw/zinc/94/67/85/944946785.db2.gz IGFWVFCCAYWVPE-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001319707997 945651439 /nfs/dbraw/zinc/65/14/39/945651439.db2.gz JTGVUMITGAQCMH-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C[C@](C)(O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252552290 945961311 /nfs/dbraw/zinc/96/13/11/945961311.db2.gz VKKHEPYKOLNYIM-INIZCTEOSA-N 2 1 306.410 0.448 20 30 DCEDMP C=C[C@](C)(O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252552290 945961316 /nfs/dbraw/zinc/96/13/16/945961316.db2.gz VKKHEPYKOLNYIM-INIZCTEOSA-N 2 1 306.410 0.448 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001321627898 946405045 /nfs/dbraw/zinc/40/50/45/946405045.db2.gz NPKNXPSTMISHDY-QPSCCSFWSA-N 2 1 324.469 0.502 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278801620 946421452 /nfs/dbraw/zinc/42/14/52/946421452.db2.gz YQOOCTNCVQCJGX-YQQAZPJKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278801620 946421459 /nfs/dbraw/zinc/42/14/59/946421459.db2.gz YQOOCTNCVQCJGX-YQQAZPJKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238358 946623078 /nfs/dbraw/zinc/62/30/78/946623078.db2.gz UFGXIYHILYEJOA-UONOGXRCSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238358 946623082 /nfs/dbraw/zinc/62/30/82/946623082.db2.gz UFGXIYHILYEJOA-UONOGXRCSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001324263377 947370685 /nfs/dbraw/zinc/37/06/85/947370685.db2.gz LEQOJGIWRUSLMW-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001324353107 947398732 /nfs/dbraw/zinc/39/87/32/947398732.db2.gz ODJAIERNLNOPNH-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCOCC1 ZINC001325037309 947620064 /nfs/dbraw/zinc/62/00/64/947620064.db2.gz LRWZBJPPDFPZPY-INIZCTEOSA-N 2 1 305.422 0.361 20 30 DCEDMP C=C(Br)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135336944 947662284 /nfs/dbraw/zinc/66/22/84/947662284.db2.gz PSAHUJSIEKMYKG-UHFFFAOYSA-N 2 1 320.231 0.323 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCC(=C)C)C1 ZINC001325224752 947714419 /nfs/dbraw/zinc/71/44/19/947714419.db2.gz LNEMPCMTWHBADA-HNNXBMFYSA-N 2 1 305.422 0.213 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001325848572 947949244 /nfs/dbraw/zinc/94/92/44/947949244.db2.gz PIOFIKQAAIDNFY-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001325848572 947949251 /nfs/dbraw/zinc/94/92/51/947949251.db2.gz PIOFIKQAAIDNFY-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001326341583 948133593 /nfs/dbraw/zinc/13/35/93/948133593.db2.gz WJKNEGDQLHHSPC-GJZGRUSLSA-N 2 1 309.458 0.397 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001327144980 948406996 /nfs/dbraw/zinc/40/69/96/948406996.db2.gz BLYBLJQOZZJQQS-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273880840 948651697 /nfs/dbraw/zinc/65/16/97/948651697.db2.gz GPLJYHNWRRBCLR-RDJZCZTQSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001328284090 948808461 /nfs/dbraw/zinc/80/84/61/948808461.db2.gz NYLUJCNSDCYILK-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001328284090 948808473 /nfs/dbraw/zinc/80/84/73/948808473.db2.gz NYLUJCNSDCYILK-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001328284090 948808489 /nfs/dbraw/zinc/80/84/89/948808489.db2.gz NYLUJCNSDCYILK-HUUCEWRRSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001264080128 948872956 /nfs/dbraw/zinc/87/29/56/948872956.db2.gz HBYWEMSDULRTPQ-HNNXBMFYSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001264080128 948872975 /nfs/dbraw/zinc/87/29/75/948872975.db2.gz HBYWEMSDULRTPQ-HNNXBMFYSA-N 2 1 304.394 0.110 20 30 DCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001489212282 949605720 /nfs/dbraw/zinc/60/57/20/949605720.db2.gz PHWGLKVETLVAQA-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001489212282 949605733 /nfs/dbraw/zinc/60/57/33/949605733.db2.gz PHWGLKVETLVAQA-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001489212282 949605749 /nfs/dbraw/zinc/60/57/49/949605749.db2.gz PHWGLKVETLVAQA-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001489272302 949690751 /nfs/dbraw/zinc/69/07/51/949690751.db2.gz RQOIDWOZJNSCSB-CABCVRRESA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001489272302 949690765 /nfs/dbraw/zinc/69/07/65/949690765.db2.gz RQOIDWOZJNSCSB-CABCVRRESA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265597225 949807129 /nfs/dbraw/zinc/80/71/29/949807129.db2.gz SZPGIQABNUZULA-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266105902 950372536 /nfs/dbraw/zinc/37/25/36/950372536.db2.gz VMAIKHKOWYFQAY-INIZCTEOSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266105902 950372549 /nfs/dbraw/zinc/37/25/49/950372549.db2.gz VMAIKHKOWYFQAY-INIZCTEOSA-N 2 1 318.421 0.764 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccnn1C ZINC001266153038 950424985 /nfs/dbraw/zinc/42/49/85/950424985.db2.gz WRKPZBBUWKDFQU-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccnn1C ZINC001266153038 950424994 /nfs/dbraw/zinc/42/49/94/950424994.db2.gz WRKPZBBUWKDFQU-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001279508873 950607703 /nfs/dbraw/zinc/60/77/03/950607703.db2.gz HALIHUUEXRZDOG-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001279508873 950607715 /nfs/dbraw/zinc/60/77/15/950607715.db2.gz HALIHUUEXRZDOG-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001279508873 950607728 /nfs/dbraw/zinc/60/77/28/950607728.db2.gz HALIHUUEXRZDOG-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001280462407 950884712 /nfs/dbraw/zinc/88/47/12/950884712.db2.gz RNWKBUHLSOUJPY-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccnn1C ZINC001331470866 951130156 /nfs/dbraw/zinc/13/01/56/951130156.db2.gz TYDJOXXGMOHKJP-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccnn1C ZINC001331470866 951130164 /nfs/dbraw/zinc/13/01/64/951130164.db2.gz TYDJOXXGMOHKJP-HOCLYGCPSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001331786303 951318024 /nfs/dbraw/zinc/31/80/24/951318024.db2.gz BNUWKGPYIAYHPS-BBRMVZONSA-N 2 1 313.417 0.289 20 30 DCEDMP C=CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001274479964 951654918 /nfs/dbraw/zinc/65/49/18/951654918.db2.gz OJEGDLIGEVMCBM-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275978078 952581682 /nfs/dbraw/zinc/58/16/82/952581682.db2.gz YELPTENLTPHIQB-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001275978078 952581686 /nfs/dbraw/zinc/58/16/86/952581686.db2.gz YELPTENLTPHIQB-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001275978078 952581692 /nfs/dbraw/zinc/58/16/92/952581692.db2.gz YELPTENLTPHIQB-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001275978078 952581697 /nfs/dbraw/zinc/58/16/97/952581697.db2.gz YELPTENLTPHIQB-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001276013777 952623027 /nfs/dbraw/zinc/62/30/27/952623027.db2.gz ZPXBLQSQIWSQIA-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001276013777 952623032 /nfs/dbraw/zinc/62/30/32/952623032.db2.gz ZPXBLQSQIWSQIA-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001276013777 952623038 /nfs/dbraw/zinc/62/30/38/952623038.db2.gz ZPXBLQSQIWSQIA-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001280793466 953041191 /nfs/dbraw/zinc/04/11/91/953041191.db2.gz KUZRCPRFIVLJIH-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001280793466 953041194 /nfs/dbraw/zinc/04/11/94/953041194.db2.gz KUZRCPRFIVLJIH-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001280793466 953041197 /nfs/dbraw/zinc/04/11/97/953041197.db2.gz KUZRCPRFIVLJIH-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CC[C@@]1(C(=O)NCCCCC[NH+]2CCNCC2)CCC[NH2+]1 ZINC001341192745 953215964 /nfs/dbraw/zinc/21/59/64/953215964.db2.gz SWGAWVDBPPPPSV-KRWDZBQOSA-N 2 1 308.470 0.876 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001282014546 953445666 /nfs/dbraw/zinc/44/56/66/953445666.db2.gz AEHPKMBHMIKPGB-UHFFFAOYSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001282872697 953710997 /nfs/dbraw/zinc/71/09/97/953710997.db2.gz XWBKMFKOUZQXGY-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001282872697 953711006 /nfs/dbraw/zinc/71/10/06/953711006.db2.gz XWBKMFKOUZQXGY-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001282872697 953711014 /nfs/dbraw/zinc/71/10/14/953711014.db2.gz XWBKMFKOUZQXGY-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001283621487 954489023 /nfs/dbraw/zinc/48/90/23/954489023.db2.gz MDMQTUPJQWELMZ-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001283802668 954618732 /nfs/dbraw/zinc/61/87/32/954618732.db2.gz BLLVPYMMZMGUAT-BBWFWOEESA-N 2 1 317.433 0.585 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC001349848846 954907224 /nfs/dbraw/zinc/90/72/24/954907224.db2.gz CVZIICZRTCUHSE-OWCLPIDISA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001349848846 954907227 /nfs/dbraw/zinc/90/72/27/954907227.db2.gz CVZIICZRTCUHSE-OWCLPIDISA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001349848846 954907239 /nfs/dbraw/zinc/90/72/39/954907239.db2.gz CVZIICZRTCUHSE-OWCLPIDISA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001349848846 954907250 /nfs/dbraw/zinc/90/72/50/954907250.db2.gz CVZIICZRTCUHSE-OWCLPIDISA-N 2 1 304.438 0.820 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001284516581 955150552 /nfs/dbraw/zinc/15/05/52/955150552.db2.gz MEBCNJDTWWDHKA-MRXNPFEDSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001284651951 955215898 /nfs/dbraw/zinc/21/58/98/955215898.db2.gz CUCLFCCEABQLBW-CABCVRRESA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001284651951 955215903 /nfs/dbraw/zinc/21/59/03/955215903.db2.gz CUCLFCCEABQLBW-CABCVRRESA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001284891479 955296040 /nfs/dbraw/zinc/29/60/40/955296040.db2.gz NHUNXGRAMYEVGA-HNNXBMFYSA-N 2 1 320.437 0.131 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001284891479 955296045 /nfs/dbraw/zinc/29/60/45/955296045.db2.gz NHUNXGRAMYEVGA-HNNXBMFYSA-N 2 1 320.437 0.131 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001284891479 955296048 /nfs/dbraw/zinc/29/60/48/955296048.db2.gz NHUNXGRAMYEVGA-HNNXBMFYSA-N 2 1 320.437 0.131 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001284891479 955296056 /nfs/dbraw/zinc/29/60/56/955296056.db2.gz NHUNXGRAMYEVGA-HNNXBMFYSA-N 2 1 320.437 0.131 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001491808180 959320380 /nfs/dbraw/zinc/32/03/80/959320380.db2.gz HWXLDSYOAQUPBP-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001381617177 966585195 /nfs/dbraw/zinc/58/51/95/966585195.db2.gz KCHZDAQXLWTYRY-OLZOCXBDSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001381617177 966585198 /nfs/dbraw/zinc/58/51/98/966585198.db2.gz KCHZDAQXLWTYRY-OLZOCXBDSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)CN(CC)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001399815362 993806017 /nfs/dbraw/zinc/80/60/17/993806017.db2.gz GWWWMHOTZMYRAR-ZDUSSCGKSA-N 2 1 303.834 0.898 20 30 DCEDMP C=C(Cl)CN(CC)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001399815362 993806021 /nfs/dbraw/zinc/80/60/21/993806021.db2.gz GWWWMHOTZMYRAR-ZDUSSCGKSA-N 2 1 303.834 0.898 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001502644085 1016011526 /nfs/dbraw/zinc/01/15/26/1016011526.db2.gz VJDLRAUBQIDWMI-GASCZTMLSA-N 2 1 307.438 0.747 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001502845314 1016100659 /nfs/dbraw/zinc/10/06/59/1016100659.db2.gz GIBIKEGTVJEHSC-UHFFFAOYSA-N 2 1 320.481 0.733 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001503015603 1016148756 /nfs/dbraw/zinc/14/87/56/1016148756.db2.gz VKKMDSUJFQQBIV-ZBFHGGJFSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001503015603 1016148759 /nfs/dbraw/zinc/14/87/59/1016148759.db2.gz VKKMDSUJFQQBIV-ZBFHGGJFSA-N 2 1 318.421 0.810 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001505711035 1016475751 /nfs/dbraw/zinc/47/57/51/1016475751.db2.gz YNJOYJZCHYMTLE-CHWSQXEVSA-N 2 1 303.834 0.944 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001420186572 1001997743 /nfs/dbraw/zinc/99/77/43/1001997743.db2.gz BZZDUOIGJCLCNR-CVEARBPZSA-N 2 1 316.405 0.077 20 30 DCEDMP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001403687703 1002353243 /nfs/dbraw/zinc/35/32/43/1002353243.db2.gz VWQZGSIQVYRMPE-HZPDHXFCSA-N 2 1 318.421 0.465 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001506678767 1017460565 /nfs/dbraw/zinc/46/05/65/1017460565.db2.gz KYIMGVSFHOACES-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494550555 1017778113 /nfs/dbraw/zinc/77/81/13/1017778113.db2.gz KYVOEYBGSYYESS-UMVBOHGHSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494550555 1017778124 /nfs/dbraw/zinc/77/81/24/1017778124.db2.gz KYVOEYBGSYYESS-UMVBOHGHSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001494787502 1018028379 /nfs/dbraw/zinc/02/83/79/1018028379.db2.gz JIDRXLJYVGSGFM-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001494787502 1018028386 /nfs/dbraw/zinc/02/83/86/1018028386.db2.gz JIDRXLJYVGSGFM-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001494787502 1018028398 /nfs/dbraw/zinc/02/83/98/1018028398.db2.gz JIDRXLJYVGSGFM-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001494787502 1018028409 /nfs/dbraw/zinc/02/84/09/1018028409.db2.gz JIDRXLJYVGSGFM-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001499857820 1018106256 /nfs/dbraw/zinc/10/62/56/1018106256.db2.gz NYZVZRTXHCKXNJ-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001500003588 1018165796 /nfs/dbraw/zinc/16/57/96/1018165796.db2.gz SCZIMKPWEFZESP-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCO)CC1 ZINC001500054609 1018191446 /nfs/dbraw/zinc/19/14/46/1018191446.db2.gz RUJZFJDBNBJJTI-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001500057537 1018193721 /nfs/dbraw/zinc/19/37/21/1018193721.db2.gz ITABNIWYIVSWAK-GJZGRUSLSA-N 2 1 307.438 0.245 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001497766218 1018398664 /nfs/dbraw/zinc/39/86/64/1018398664.db2.gz UKUXVMLGPMZIBF-OGZRUICASA-N 2 1 307.438 0.773 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001495233851 1018413129 /nfs/dbraw/zinc/41/31/29/1018413129.db2.gz MZYJPLDMFMCFDF-WBVHZDCISA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500402542 1018439804 /nfs/dbraw/zinc/43/98/04/1018439804.db2.gz VGWCOJUMPSTFTR-NVXWUHKLSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480674281 1018766437 /nfs/dbraw/zinc/76/64/37/1018766437.db2.gz MYGABGKDPPDAHT-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCOC)C1 ZINC001480729715 1018827202 /nfs/dbraw/zinc/82/72/02/1018827202.db2.gz GUSVAVPOVNGLSK-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCOC)C1 ZINC001480729715 1018827228 /nfs/dbraw/zinc/82/72/28/1018827228.db2.gz GUSVAVPOVNGLSK-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCOC)C1 ZINC001480729715 1018827251 /nfs/dbraw/zinc/82/72/51/1018827251.db2.gz GUSVAVPOVNGLSK-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCOC)C1 ZINC001480729715 1018827269 /nfs/dbraw/zinc/82/72/69/1018827269.db2.gz GUSVAVPOVNGLSK-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001501140113 1018918123 /nfs/dbraw/zinc/91/81/23/1018918123.db2.gz QVOCORDOLPKCQA-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCO1 ZINC001502056306 1019667923 /nfs/dbraw/zinc/66/79/23/1019667923.db2.gz URRMCYFNYFZQRL-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001494178901 1020052141 /nfs/dbraw/zinc/05/21/41/1020052141.db2.gz AQLZDFSHTDHBKE-HOTGVXAUSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001663419139 1174297139 /nfs/dbraw/zinc/29/71/39/1174297139.db2.gz CRLFTFLXKMLMRJ-UHFFFAOYSA-N 2 1 310.442 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001663419139 1174297145 /nfs/dbraw/zinc/29/71/45/1174297145.db2.gz CRLFTFLXKMLMRJ-UHFFFAOYSA-N 2 1 310.442 0.069 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000491264395 533102495 /nfs/dbraw/zinc/10/24/95/533102495.db2.gz GMRHEFGRDDTJOB-INIZCTEOSA-N 2 1 322.453 0.305 20 30 DCEDMP [NH2+]=C(NCC#Cc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000267391302 396355956 /nfs/dbraw/zinc/35/59/56/396355956.db2.gz DCRXYCBMAJHTGD-UHFFFAOYSA-N 2 1 300.406 0.665 20 30 DCEDMP C[C@@H]1C[N@@H+](CCN(CCC#N)CCN2CCOCC2)C[C@H](C)O1 ZINC000595333116 396590242 /nfs/dbraw/zinc/59/02/42/396590242.db2.gz MWMLCAUCKBKGFR-CALCHBBNSA-N 2 1 324.469 0.643 20 30 DCEDMP C[C@@H]1C[N@H+](CCN(CCC#N)CCN2CCOCC2)C[C@H](C)O1 ZINC000595333116 396590246 /nfs/dbraw/zinc/59/02/46/396590246.db2.gz MWMLCAUCKBKGFR-CALCHBBNSA-N 2 1 324.469 0.643 20 30 DCEDMP N#Cc1sccc1N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000595902399 396679688 /nfs/dbraw/zinc/67/96/88/396679688.db2.gz IYSNEAZSQBLNLN-UHFFFAOYSA-N 2 1 305.451 0.647 20 30 DCEDMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000367762502 159354866 /nfs/dbraw/zinc/35/48/66/159354866.db2.gz CQXXKLZWSBXJTP-ZDUSSCGKSA-N 2 1 301.394 0.785 20 30 DCEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000367762502 159354867 /nfs/dbraw/zinc/35/48/67/159354867.db2.gz CQXXKLZWSBXJTP-ZDUSSCGKSA-N 2 1 301.394 0.785 20 30 DCEDMP C#CCSCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134352194 415956136 /nfs/dbraw/zinc/95/61/36/415956136.db2.gz RNKRHWLDIGGGHP-UHFFFAOYSA-N 2 1 305.451 0.684 20 30 DCEDMP CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000328960727 416141089 /nfs/dbraw/zinc/14/10/89/416141089.db2.gz QKDIWTRWTIERLB-GJZGRUSLSA-N 2 1 311.426 0.651 20 30 DCEDMP CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000328960727 416141092 /nfs/dbraw/zinc/14/10/92/416141092.db2.gz QKDIWTRWTIERLB-GJZGRUSLSA-N 2 1 311.426 0.651 20 30 DCEDMP C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[N@@H+](C)C1CC1 ZINC000264260263 416339207 /nfs/dbraw/zinc/33/92/07/416339207.db2.gz JCNNJXWPRLHGAE-CYBMUJFWSA-N 2 1 317.441 0.396 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CCN(C)C)CC1 ZINC000491629452 416607188 /nfs/dbraw/zinc/60/71/88/416607188.db2.gz OIAXRLFVUQLSQG-UHFFFAOYSA-N 2 1 308.470 0.331 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCCN(C)CC[NH+](C)C)CC1 ZINC000491629452 416607191 /nfs/dbraw/zinc/60/71/91/416607191.db2.gz OIAXRLFVUQLSQG-UHFFFAOYSA-N 2 1 308.470 0.331 20 30 DCEDMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCCc1[nH]nc(N)c1C#N ZINC000595398532 416572723 /nfs/dbraw/zinc/57/27/23/416572723.db2.gz RTISUPPXKKMQRY-LBPRGKRZSA-N 2 1 308.430 0.429 20 30 DCEDMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCCc1[nH]nc(N)c1C#N ZINC000595398532 416572729 /nfs/dbraw/zinc/57/27/29/416572729.db2.gz RTISUPPXKKMQRY-LBPRGKRZSA-N 2 1 308.430 0.429 20 30 DCEDMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000595398532 416572734 /nfs/dbraw/zinc/57/27/34/416572734.db2.gz RTISUPPXKKMQRY-LBPRGKRZSA-N 2 1 308.430 0.429 20 30 DCEDMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000595398532 416572736 /nfs/dbraw/zinc/57/27/36/416572736.db2.gz RTISUPPXKKMQRY-LBPRGKRZSA-N 2 1 308.430 0.429 20 30 DCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894695 417068911 /nfs/dbraw/zinc/06/89/11/417068911.db2.gz OLZYOJYJVCTARR-OAHLLOKOSA-N 2 1 307.438 0.874 20 30 DCEDMP C=C[C@H](CO)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662168125 418386055 /nfs/dbraw/zinc/38/60/55/418386055.db2.gz UWFILAPKBMMEDZ-DJIMGWMZSA-N 2 1 317.433 0.902 20 30 DCEDMP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000329814966 336085216 /nfs/dbraw/zinc/08/52/16/336085216.db2.gz DYJKJCFMMDMMRY-SOUVJXGZSA-N 2 1 324.469 0.938 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000329814966 336085217 /nfs/dbraw/zinc/08/52/17/336085217.db2.gz DYJKJCFMMDMMRY-SOUVJXGZSA-N 2 1 324.469 0.938 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000329814966 336085219 /nfs/dbraw/zinc/08/52/19/336085219.db2.gz DYJKJCFMMDMMRY-SOUVJXGZSA-N 2 1 324.469 0.938 20 30 DCEDMP CC(C)C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424141110 337761974 /nfs/dbraw/zinc/76/19/74/337761974.db2.gz WTZFTNKZVZGCEU-HUUCEWRRSA-N 2 1 310.442 0.871 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCO)C1 ZINC001569714758 1161203523 /nfs/dbraw/zinc/20/35/23/1161203523.db2.gz FIDWMLZLNVDVLF-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001570200674 1161486309 /nfs/dbraw/zinc/48/63/09/1161486309.db2.gz DFQJLKFJHJWKAO-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001570200674 1161486315 /nfs/dbraw/zinc/48/63/15/1161486315.db2.gz DFQJLKFJHJWKAO-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001570200674 1161486322 /nfs/dbraw/zinc/48/63/22/1161486322.db2.gz DFQJLKFJHJWKAO-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC(C)(C)NC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264119998 526282635 /nfs/dbraw/zinc/28/26/35/526282635.db2.gz QTTDNGLSPHNBRS-UHFFFAOYSA-N 2 1 319.457 0.692 20 30 DCEDMP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000262264720 526345344 /nfs/dbraw/zinc/34/53/44/526345344.db2.gz FQFASOIARQBQKJ-UKRRQHHQSA-N 2 1 321.469 0.599 20 30 DCEDMP C[NH+]=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000264096073 526369031 /nfs/dbraw/zinc/36/90/31/526369031.db2.gz XPNCPMXCXLJHMT-MRXNPFEDSA-N 2 1 302.422 0.733 20 30 DCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1cccn1C ZINC000261948690 526373615 /nfs/dbraw/zinc/37/36/15/526373615.db2.gz GQPYELZTTSYODI-OAHLLOKOSA-N 2 1 306.458 0.278 20 30 DCEDMP C[NH+]=C(NCc1nccs1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179088115 526391285 /nfs/dbraw/zinc/39/12/85/526391285.db2.gz RBMKXCZVEHERHM-CYBMUJFWSA-N 2 1 323.466 0.873 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000171740811 526426830 /nfs/dbraw/zinc/42/68/30/526426830.db2.gz XAVMZYZASDCYKJ-UHFFFAOYSA-N 2 1 310.442 0.610 20 30 DCEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264132732 527740461 /nfs/dbraw/zinc/74/04/61/527740461.db2.gz YJYKLNWRUJBONV-AWEZNQCLSA-N 2 1 317.441 0.255 20 30 DCEDMP C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001665030058 1174474621 /nfs/dbraw/zinc/47/46/21/1174474621.db2.gz RVKXBAHYACPXOT-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000328775534 546040167 /nfs/dbraw/zinc/04/01/67/546040167.db2.gz KPZNPSMFCIMIBP-HNNXBMFYSA-N 2 1 312.458 0.941 20 30 DCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001671795154 1175037486 /nfs/dbraw/zinc/03/74/86/1175037486.db2.gz JZCLYROXZKWCLD-QGZVFWFLSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027634709 660559730 /nfs/dbraw/zinc/55/97/30/660559730.db2.gz OAUXBCFTLRRJJI-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037509 661094004 /nfs/dbraw/zinc/09/40/04/661094004.db2.gz ZITVLYAGHIPDKI-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037509 661094007 /nfs/dbraw/zinc/09/40/07/661094007.db2.gz ZITVLYAGHIPDKI-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037509 661094010 /nfs/dbraw/zinc/09/40/10/661094010.db2.gz ZITVLYAGHIPDKI-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981820710 661223099 /nfs/dbraw/zinc/22/30/99/661223099.db2.gz ZUAHHPWFFNCTLE-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981820710 661223100 /nfs/dbraw/zinc/22/31/00/661223100.db2.gz ZUAHHPWFFNCTLE-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820710 661223102 /nfs/dbraw/zinc/22/31/02/661223102.db2.gz ZUAHHPWFFNCTLE-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820710 661223105 /nfs/dbraw/zinc/22/31/05/661223105.db2.gz ZUAHHPWFFNCTLE-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522936 657578911 /nfs/dbraw/zinc/57/89/11/657578911.db2.gz QHVWBJPDQTVPGE-OAHLLOKOSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972294842 658532667 /nfs/dbraw/zinc/53/26/67/658532667.db2.gz OBNDNVHPGWQQAD-WBVHZDCISA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972294842 658532670 /nfs/dbraw/zinc/53/26/70/658532670.db2.gz OBNDNVHPGWQQAD-WBVHZDCISA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972294842 658532672 /nfs/dbraw/zinc/53/26/72/658532672.db2.gz OBNDNVHPGWQQAD-WBVHZDCISA-N 2 1 305.422 0.407 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972294842 658532676 /nfs/dbraw/zinc/53/26/76/658532676.db2.gz OBNDNVHPGWQQAD-WBVHZDCISA-N 2 1 305.422 0.407 20 30 DCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999356194 665631090 /nfs/dbraw/zinc/63/10/90/665631090.db2.gz YRKSNAIJVCAUQF-HZPDHXFCSA-N 2 1 319.453 0.970 20 30 DCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027440772 659480477 /nfs/dbraw/zinc/48/04/77/659480477.db2.gz KKHZQUUBJARECK-HOTGVXAUSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027440772 659480480 /nfs/dbraw/zinc/48/04/80/659480480.db2.gz KKHZQUUBJARECK-HOTGVXAUSA-N 2 1 317.437 0.369 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781314 659555768 /nfs/dbraw/zinc/55/57/68/659555768.db2.gz CDMUXYWYCTYLLL-MTSZKFMLSA-N 2 1 301.434 0.931 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781314 659555772 /nfs/dbraw/zinc/55/57/72/659555772.db2.gz CDMUXYWYCTYLLL-MTSZKFMLSA-N 2 1 301.434 0.931 20 30 DCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781314 659555776 /nfs/dbraw/zinc/55/57/76/659555776.db2.gz CDMUXYWYCTYLLL-MTSZKFMLSA-N 2 1 301.434 0.931 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498516 659627483 /nfs/dbraw/zinc/62/74/83/659627483.db2.gz HMHMFKAGGZHLFN-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001027498516 659627485 /nfs/dbraw/zinc/62/74/85/659627485.db2.gz HMHMFKAGGZHLFN-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001027498516 659627487 /nfs/dbraw/zinc/62/74/87/659627487.db2.gz HMHMFKAGGZHLFN-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038346996 659748419 /nfs/dbraw/zinc/74/84/19/659748419.db2.gz UEKLHCAWWSMRDZ-DLBZAZTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038346996 659748422 /nfs/dbraw/zinc/74/84/22/659748422.db2.gz UEKLHCAWWSMRDZ-DLBZAZTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038346996 659748425 /nfs/dbraw/zinc/74/84/25/659748425.db2.gz UEKLHCAWWSMRDZ-DLBZAZTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346996 659748429 /nfs/dbraw/zinc/74/84/29/659748429.db2.gz UEKLHCAWWSMRDZ-DLBZAZTESA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977614341 659786393 /nfs/dbraw/zinc/78/63/93/659786393.db2.gz KCDBWYPBFXURAQ-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977614341 659786395 /nfs/dbraw/zinc/78/63/95/659786395.db2.gz KCDBWYPBFXURAQ-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614341 659786398 /nfs/dbraw/zinc/78/63/98/659786398.db2.gz KCDBWYPBFXURAQ-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614341 659786403 /nfs/dbraw/zinc/78/64/03/659786403.db2.gz KCDBWYPBFXURAQ-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261657623 661354457 /nfs/dbraw/zinc/35/44/57/661354457.db2.gz AHYXPEYSURMRGM-NJZAAPMLSA-N 2 1 312.483 0.502 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547529 661603496 /nfs/dbraw/zinc/60/34/96/661603496.db2.gz XLGLPIRPCHIUBJ-OAHLLOKOSA-N 2 1 317.437 0.520 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001029003002 661930029 /nfs/dbraw/zinc/93/00/29/661930029.db2.gz GMFXIHMFXIFZLO-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)COC ZINC001029342538 662111677 /nfs/dbraw/zinc/11/16/77/662111677.db2.gz SZQZSPYFHBMPGR-NCOADZHNSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)CC1 ZINC001029597063 662423411 /nfs/dbraw/zinc/42/34/11/662423411.db2.gz ITXKWFSQQGSPLJ-CALCHBBNSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971969 665892411 /nfs/dbraw/zinc/89/24/11/665892411.db2.gz GWXJIAIHDSDROV-CVEARBPZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971969 665892412 /nfs/dbraw/zinc/89/24/12/665892412.db2.gz GWXJIAIHDSDROV-CVEARBPZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971969 665892415 /nfs/dbraw/zinc/89/24/15/665892415.db2.gz GWXJIAIHDSDROV-CVEARBPZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971969 665892416 /nfs/dbraw/zinc/89/24/16/665892416.db2.gz GWXJIAIHDSDROV-CVEARBPZSA-N 2 1 321.465 0.946 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042756447 663076658 /nfs/dbraw/zinc/07/66/58/663076658.db2.gz PXIDYFLTGGQKDE-HOCLYGCPSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042756447 663076659 /nfs/dbraw/zinc/07/66/59/663076659.db2.gz PXIDYFLTGGQKDE-HOCLYGCPSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCO)CC3)CC1 ZINC000992513157 664730535 /nfs/dbraw/zinc/73/05/35/664730535.db2.gz VPXBUQMQMBUEKV-FUHWJXTLSA-N 2 1 319.449 0.437 20 30 DCEDMP C=CCN1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941636604 666032894 /nfs/dbraw/zinc/03/28/94/666032894.db2.gz OQVFPEUIPWXBEX-OAHLLOKOSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941636604 666032897 /nfs/dbraw/zinc/03/28/97/666032897.db2.gz OQVFPEUIPWXBEX-OAHLLOKOSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941636604 666032898 /nfs/dbraw/zinc/03/28/98/666032898.db2.gz OQVFPEUIPWXBEX-OAHLLOKOSA-N 2 1 306.454 0.343 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756720 666098868 /nfs/dbraw/zinc/09/88/68/666098868.db2.gz IWKVFKVHIWZDIB-INIZCTEOSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712683 666690274 /nfs/dbraw/zinc/69/02/74/666690274.db2.gz UZNQUKGDXBCEMO-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712683 666690276 /nfs/dbraw/zinc/69/02/76/666690276.db2.gz UZNQUKGDXBCEMO-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014712683 666690277 /nfs/dbraw/zinc/69/02/77/666690277.db2.gz UZNQUKGDXBCEMO-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014712683 666690278 /nfs/dbraw/zinc/69/02/78/666690278.db2.gz UZNQUKGDXBCEMO-WBVHZDCISA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033839564 666841838 /nfs/dbraw/zinc/84/18/38/666841838.db2.gz XRDGLOFIUCTCHU-OAHLLOKOSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033839564 666841840 /nfs/dbraw/zinc/84/18/40/666841840.db2.gz XRDGLOFIUCTCHU-OAHLLOKOSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005427438 666856159 /nfs/dbraw/zinc/85/61/59/666856159.db2.gz WSNKHOQAZXCVPA-HZPDHXFCSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001034281222 666975401 /nfs/dbraw/zinc/97/54/01/666975401.db2.gz HTOXZZJWRCRXCC-CYBMUJFWSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001692234332 1157712895 /nfs/dbraw/zinc/71/28/95/1157712895.db2.gz TXEYOAQLVJVVPY-OWCLPIDISA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001692234332 1157712897 /nfs/dbraw/zinc/71/28/97/1157712897.db2.gz TXEYOAQLVJVVPY-OWCLPIDISA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001692234332 1157712899 /nfs/dbraw/zinc/71/28/99/1157712899.db2.gz TXEYOAQLVJVVPY-OWCLPIDISA-N 2 1 307.438 0.245 20 30 DCEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005581287 667097690 /nfs/dbraw/zinc/09/76/90/667097690.db2.gz KRAAPKLRHOSUJD-GDBMZVCRSA-N 2 1 307.438 0.652 20 30 DCEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005581287 667097692 /nfs/dbraw/zinc/09/76/92/667097692.db2.gz KRAAPKLRHOSUJD-GDBMZVCRSA-N 2 1 307.438 0.652 20 30 DCEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CN1CCOCC1 ZINC001032475621 667298773 /nfs/dbraw/zinc/29/87/73/667298773.db2.gz ZQSKXZDFEVVLAA-GJZGRUSLSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997530943 667322668 /nfs/dbraw/zinc/32/26/68/667322668.db2.gz LPOHWRUUBDGQJB-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997530943 667322671 /nfs/dbraw/zinc/32/26/71/667322671.db2.gz LPOHWRUUBDGQJB-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035477584 667353405 /nfs/dbraw/zinc/35/34/05/667353405.db2.gz IIBDCYGUNYMRLY-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001035477584 667353408 /nfs/dbraw/zinc/35/34/08/667353408.db2.gz IIBDCYGUNYMRLY-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035477584 667353411 /nfs/dbraw/zinc/35/34/11/667353411.db2.gz IIBDCYGUNYMRLY-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035477584 667353414 /nfs/dbraw/zinc/35/34/14/667353414.db2.gz IIBDCYGUNYMRLY-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000884127714 667479348 /nfs/dbraw/zinc/47/93/48/667479348.db2.gz LAGNIFLKGLZATN-JYJNAYRXSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000884127714 667479349 /nfs/dbraw/zinc/47/93/49/667479349.db2.gz LAGNIFLKGLZATN-JYJNAYRXSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000884127714 667479350 /nfs/dbraw/zinc/47/93/50/667479350.db2.gz LAGNIFLKGLZATN-JYJNAYRXSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000884127714 667479351 /nfs/dbraw/zinc/47/93/51/667479351.db2.gz LAGNIFLKGLZATN-JYJNAYRXSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC000923559503 667562681 /nfs/dbraw/zinc/56/26/81/667562681.db2.gz GVEACUQGRDCRFR-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000743491328 667809028 /nfs/dbraw/zinc/80/90/28/667809028.db2.gz FIPNKPCQYKEJAX-OAHLLOKOSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000890364093 668121138 /nfs/dbraw/zinc/12/11/38/668121138.db2.gz WEHJLSXDSHOFLC-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000890364093 668121139 /nfs/dbraw/zinc/12/11/39/668121139.db2.gz WEHJLSXDSHOFLC-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000890364093 668121141 /nfs/dbraw/zinc/12/11/41/668121141.db2.gz WEHJLSXDSHOFLC-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000890364093 668121143 /nfs/dbraw/zinc/12/11/43/668121143.db2.gz WEHJLSXDSHOFLC-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000876781990 668510778 /nfs/dbraw/zinc/51/07/78/668510778.db2.gz KTPMEEWSEDXMSA-OCCSQVGLSA-N 2 1 316.877 0.846 20 30 DCEDMP C=CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000878230410 668701810 /nfs/dbraw/zinc/70/18/10/668701810.db2.gz KULNFZJMXDLOPH-CQSZACIVSA-N 2 1 311.426 0.494 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000948069315 670053468 /nfs/dbraw/zinc/05/34/68/670053468.db2.gz FTVCLKOVECHDJY-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C[NH+]=C(NCCCC[N@@H+](C)C1CC1)NCCN1CCOCC1 ZINC000849039555 670753581 /nfs/dbraw/zinc/75/35/81/670753581.db2.gz FPIRYRMJAVSTAW-UHFFFAOYSA-N 2 1 311.474 0.358 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671694696 1158655276 /nfs/dbraw/zinc/65/52/76/1158655276.db2.gz VYYGPFKISVHOAL-YOEHRIQHSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnoc2C)C1 ZINC001020250724 693745980 /nfs/dbraw/zinc/74/59/80/693745980.db2.gz MSVKUGFGNCVRLI-JYJNAYRXSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnoc2C)C1 ZINC001020250724 693745985 /nfs/dbraw/zinc/74/59/85/693745985.db2.gz MSVKUGFGNCVRLI-JYJNAYRXSA-N 2 1 316.405 0.817 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000303769876 685206383 /nfs/dbraw/zinc/20/63/83/685206383.db2.gz BHLKPNFACCEYFW-GJZGRUSLSA-N 2 1 312.458 0.961 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000305888585 685217829 /nfs/dbraw/zinc/21/78/29/685217829.db2.gz ZRYBMKUNJRFYIX-TZMCWYRMSA-N 2 1 307.442 0.386 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214495 687446294 /nfs/dbraw/zinc/44/62/94/687446294.db2.gz IIIZJNGQDYTMHY-GJZGRUSLSA-N 2 1 307.438 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC=C)C[C@H]2O)CC1 ZINC000958725173 687877377 /nfs/dbraw/zinc/87/73/77/687877377.db2.gz WHMRZNWDAFFPRY-IAGOWNOFSA-N 2 1 319.449 0.317 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=C)C)C[C@H]2O)CC1 ZINC000958724588 687878331 /nfs/dbraw/zinc/87/83/31/687878331.db2.gz QMQMDYXJNNMNSC-IAGOWNOFSA-N 2 1 319.449 0.317 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961188484 688565116 /nfs/dbraw/zinc/56/51/16/688565116.db2.gz NYRYDFABEFBXJL-LAQFHYBYSA-N 2 1 300.406 0.994 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961188484 688565118 /nfs/dbraw/zinc/56/51/18/688565118.db2.gz NYRYDFABEFBXJL-LAQFHYBYSA-N 2 1 300.406 0.994 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000964670958 689286351 /nfs/dbraw/zinc/28/63/51/689286351.db2.gz WQGGJFBZTRGMJN-LMBQMVEXSA-N 2 1 319.449 0.746 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000964670958 689286353 /nfs/dbraw/zinc/28/63/53/689286353.db2.gz WQGGJFBZTRGMJN-LMBQMVEXSA-N 2 1 319.449 0.746 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000968954387 690434273 /nfs/dbraw/zinc/43/42/73/690434273.db2.gz JCYGMGAJWSKODH-ZACQAIPSSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000968954387 690434275 /nfs/dbraw/zinc/43/42/75/690434275.db2.gz JCYGMGAJWSKODH-ZACQAIPSSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016986188 692821051 /nfs/dbraw/zinc/82/10/51/692821051.db2.gz NIQBEAGZEXEREL-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016986188 692821056 /nfs/dbraw/zinc/82/10/56/692821056.db2.gz NIQBEAGZEXEREL-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040651727 694587621 /nfs/dbraw/zinc/58/76/21/694587621.db2.gz AZHVYCGENJTCQX-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040651727 694587625 /nfs/dbraw/zinc/58/76/25/694587625.db2.gz AZHVYCGENJTCQX-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001018963171 693298419 /nfs/dbraw/zinc/29/84/19/693298419.db2.gz BYOUARTVXANXRT-LSDHHAIUSA-N 2 1 305.426 0.580 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001018985869 693306986 /nfs/dbraw/zinc/30/69/86/693306986.db2.gz JROPLHMZMBTSFW-IKGGRYGDSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001018985869 693306991 /nfs/dbraw/zinc/30/69/91/693306991.db2.gz JROPLHMZMBTSFW-IKGGRYGDSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760950 694661626 /nfs/dbraw/zinc/66/16/26/694661626.db2.gz WGYHBRCYBMZVQM-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760950 694661627 /nfs/dbraw/zinc/66/16/27/694661627.db2.gz WGYHBRCYBMZVQM-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760950 694661628 /nfs/dbraw/zinc/66/16/28/694661628.db2.gz WGYHBRCYBMZVQM-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605695 694750581 /nfs/dbraw/zinc/75/05/81/694750581.db2.gz QXZSAYLAZAYKRH-HZPDHXFCSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605695 694750582 /nfs/dbraw/zinc/75/05/82/694750582.db2.gz QXZSAYLAZAYKRH-HZPDHXFCSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073661779 694761570 /nfs/dbraw/zinc/76/15/70/694761570.db2.gz COOWSAINBFFUKK-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661779 694761572 /nfs/dbraw/zinc/76/15/72/694761572.db2.gz COOWSAINBFFUKK-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661779 694761573 /nfs/dbraw/zinc/76/15/73/694761573.db2.gz COOWSAINBFFUKK-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001570414810 1162507995 /nfs/dbraw/zinc/50/79/95/1162507995.db2.gz HKAQESFNLTYLLP-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001570419666 1162510249 /nfs/dbraw/zinc/51/02/49/1162510249.db2.gz ZYHCHHFESNONLY-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001570710382 1162592706 /nfs/dbraw/zinc/59/27/06/1162592706.db2.gz HHMZAUVOIHTDAC-CQSZACIVSA-N 2 1 305.426 0.518 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001571405946 1162734383 /nfs/dbraw/zinc/73/43/83/1162734383.db2.gz QZRJDPPSTWMGSQ-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CC1CC1 ZINC001571602196 1162850588 /nfs/dbraw/zinc/85/05/88/1162850588.db2.gz AKEWNVOCTPBKAH-CVEARBPZSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC1CC1 ZINC001571602196 1162850596 /nfs/dbraw/zinc/85/05/96/1162850596.db2.gz AKEWNVOCTPBKAH-CVEARBPZSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CC1CC1 ZINC001571602196 1162850603 /nfs/dbraw/zinc/85/06/03/1162850603.db2.gz AKEWNVOCTPBKAH-CVEARBPZSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CC1CC1 ZINC001571602196 1162850608 /nfs/dbraw/zinc/85/06/08/1162850608.db2.gz AKEWNVOCTPBKAH-CVEARBPZSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001772519896 1157419050 /nfs/dbraw/zinc/41/90/50/1157419050.db2.gz SHFWYBBRHFVABV-CZUORRHYSA-N 2 1 315.421 0.861 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001772519896 1157419055 /nfs/dbraw/zinc/41/90/55/1157419055.db2.gz SHFWYBBRHFVABV-CZUORRHYSA-N 2 1 315.421 0.861 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001691382482 1157658263 /nfs/dbraw/zinc/65/82/63/1157658263.db2.gz VXZMAUQCSHMWNN-IKGGRYGDSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001691382482 1157658264 /nfs/dbraw/zinc/65/82/64/1157658264.db2.gz VXZMAUQCSHMWNN-IKGGRYGDSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001691535624 1158317125 /nfs/dbraw/zinc/31/71/25/1158317125.db2.gz IEHKMYNYDWYHSC-MRXNPFEDSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001691535624 1158317130 /nfs/dbraw/zinc/31/71/30/1158317130.db2.gz IEHKMYNYDWYHSC-MRXNPFEDSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001691535624 1158317136 /nfs/dbraw/zinc/31/71/36/1158317136.db2.gz IEHKMYNYDWYHSC-MRXNPFEDSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001671694696 1158655263 /nfs/dbraw/zinc/65/52/63/1158655263.db2.gz VYYGPFKISVHOAL-YOEHRIQHSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001671694696 1158655267 /nfs/dbraw/zinc/65/52/67/1158655267.db2.gz VYYGPFKISVHOAL-YOEHRIQHSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671694696 1158655274 /nfs/dbraw/zinc/65/52/74/1158655274.db2.gz VYYGPFKISVHOAL-YOEHRIQHSA-N 2 1 322.453 0.045 20 30 DCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175729614 1158848060 /nfs/dbraw/zinc/84/80/60/1158848060.db2.gz KHRUEHZBHTXTJA-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1OCC ZINC001565956678 1159930317 /nfs/dbraw/zinc/93/03/17/1159930317.db2.gz GZTAFFZIORTHBP-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1OCC ZINC001565952170 1159930531 /nfs/dbraw/zinc/93/05/31/1159930531.db2.gz MHIDOZFORXKRJN-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566921240 1160185382 /nfs/dbraw/zinc/18/53/82/1160185382.db2.gz JPWPQLKXHQZYTJ-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566921240 1160185385 /nfs/dbraw/zinc/18/53/85/1160185385.db2.gz JPWPQLKXHQZYTJ-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001566921240 1160185387 /nfs/dbraw/zinc/18/53/87/1160185387.db2.gz JPWPQLKXHQZYTJ-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566921240 1160185390 /nfs/dbraw/zinc/18/53/90/1160185390.db2.gz JPWPQLKXHQZYTJ-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001569706722 1161200642 /nfs/dbraw/zinc/20/06/42/1161200642.db2.gz VNJQOMXNXWQSQL-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCO)C1 ZINC001569714758 1161203505 /nfs/dbraw/zinc/20/35/05/1161203505.db2.gz FIDWMLZLNVDVLF-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCO)C1 ZINC001569714758 1161203509 /nfs/dbraw/zinc/20/35/09/1161203509.db2.gz FIDWMLZLNVDVLF-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCO)C1 ZINC001569714758 1161203514 /nfs/dbraw/zinc/20/35/14/1161203514.db2.gz FIDWMLZLNVDVLF-RDJZCZTQSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001569730009 1161210067 /nfs/dbraw/zinc/21/00/67/1161210067.db2.gz PNKCJRLQLRIDGV-HUUCEWRRSA-N 2 1 307.438 0.605 20 30 DCEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001569751044 1161221996 /nfs/dbraw/zinc/22/19/96/1161221996.db2.gz JMHAHJLTDOYGLG-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001569751044 1161222000 /nfs/dbraw/zinc/22/20/00/1161222000.db2.gz JMHAHJLTDOYGLG-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001569751044 1161222005 /nfs/dbraw/zinc/22/20/05/1161222005.db2.gz JMHAHJLTDOYGLG-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001569757174 1161228929 /nfs/dbraw/zinc/22/89/29/1161228929.db2.gz CNQSQTWRLCZIFR-WMLDXEAASA-N 2 1 318.421 0.493 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001569757174 1161228934 /nfs/dbraw/zinc/22/89/34/1161228934.db2.gz CNQSQTWRLCZIFR-WMLDXEAASA-N 2 1 318.421 0.493 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001570295492 1161550030 /nfs/dbraw/zinc/55/00/30/1161550030.db2.gz IQIWBQZNTFGKLD-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3n2CC[NH2+][C@H]3C)C1 ZINC001574673138 1163738542 /nfs/dbraw/zinc/73/85/42/1163738542.db2.gz HUQZGXSTUMBXJE-KBPBESRZSA-N 2 1 300.406 0.980 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3n2CC[NH2+][C@H]3C)C1 ZINC001574673138 1163738548 /nfs/dbraw/zinc/73/85/48/1163738548.db2.gz HUQZGXSTUMBXJE-KBPBESRZSA-N 2 1 300.406 0.980 20 30 DCEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001578525132 1165043210 /nfs/dbraw/zinc/04/32/10/1165043210.db2.gz RSMHNBDXOWRZEA-HNNXBMFYSA-N 3 1 309.458 0.492 20 30 DCEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001578525132 1165043215 /nfs/dbraw/zinc/04/32/15/1165043215.db2.gz RSMHNBDXOWRZEA-HNNXBMFYSA-N 3 1 309.458 0.492 20 30 DCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC1CC([NH+]3CCOCC3)C1)C2 ZINC001580042939 1165482610 /nfs/dbraw/zinc/48/26/10/1165482610.db2.gz DVSHUSLOSGSJKK-ZMBIAZEOSA-N 2 1 318.421 0.105 20 30 DCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC001580047038 1165486345 /nfs/dbraw/zinc/48/63/45/1165486345.db2.gz BRVMRCWSPKUICJ-HNNXBMFYSA-N 2 1 308.426 0.721 20 30 DCEDMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C2 ZINC001646009541 1172213894 /nfs/dbraw/zinc/21/38/94/1172213894.db2.gz CJAFHTSNLBFCAO-KGLIPLIRSA-N 2 1 320.437 0.932 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001660946939 1174073656 /nfs/dbraw/zinc/07/36/56/1174073656.db2.gz RFZRRRMZFLDHFL-UHFFFAOYSA-N 2 1 320.481 0.620 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661016311 1174085716 /nfs/dbraw/zinc/08/57/16/1174085716.db2.gz YTLACLUZPBUNRC-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661016311 1174085722 /nfs/dbraw/zinc/08/57/22/1174085722.db2.gz YTLACLUZPBUNRC-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001661435111 1174124858 /nfs/dbraw/zinc/12/48/58/1174124858.db2.gz HDCTUXHDPKSNGJ-VGWMRTNUSA-N 2 1 307.438 0.482 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001661435111 1174124861 /nfs/dbraw/zinc/12/48/61/1174124861.db2.gz HDCTUXHDPKSNGJ-VGWMRTNUSA-N 2 1 307.438 0.482 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001661690724 1174146610 /nfs/dbraw/zinc/14/66/10/1174146610.db2.gz UUSJJAXAWSGRLJ-MELADBBJSA-N 2 1 310.442 0.254 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001662685173 1174231881 /nfs/dbraw/zinc/23/18/81/1174231881.db2.gz DAFUIOGLXKIRBG-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001665030058 1174474626 /nfs/dbraw/zinc/47/46/26/1174474626.db2.gz RVKXBAHYACPXOT-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001665030058 1174474629 /nfs/dbraw/zinc/47/46/29/1174474629.db2.gz RVKXBAHYACPXOT-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001665030058 1174474633 /nfs/dbraw/zinc/47/46/33/1174474633.db2.gz RVKXBAHYACPXOT-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)[NH2+]CC#CCOC ZINC001665892856 1174571773 /nfs/dbraw/zinc/57/17/73/1174571773.db2.gz IHJPEJMXRBBADN-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)[NH2+]CC#CCOC ZINC001665892857 1174572449 /nfs/dbraw/zinc/57/24/49/1174572449.db2.gz IHJPEJMXRBBADN-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCCC1 ZINC001665951354 1174575515 /nfs/dbraw/zinc/57/55/15/1174575515.db2.gz GKADSBLRDQHPTD-UHFFFAOYSA-N 2 1 307.438 0.751 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCOC)C1 ZINC001666119565 1174586991 /nfs/dbraw/zinc/58/69/91/1174586991.db2.gz DRCXEUKDJQSJIN-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCOC)C1 ZINC001666119565 1174586997 /nfs/dbraw/zinc/58/69/97/1174586997.db2.gz DRCXEUKDJQSJIN-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001667893205 1174730167 /nfs/dbraw/zinc/73/01/67/1174730167.db2.gz DGTCWFRKTWJSIW-BBWFWOEESA-N 2 1 315.417 0.032 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001669137219 1174898876 /nfs/dbraw/zinc/89/88/76/1174898876.db2.gz FUWFAYNDILQCKE-UHFFFAOYSA-N 2 1 323.485 0.268 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001669137219 1174898888 /nfs/dbraw/zinc/89/88/88/1174898888.db2.gz FUWFAYNDILQCKE-UHFFFAOYSA-N 2 1 323.485 0.268 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001669137219 1174898894 /nfs/dbraw/zinc/89/88/94/1174898894.db2.gz FUWFAYNDILQCKE-UHFFFAOYSA-N 2 1 323.485 0.268 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001673677023 1175222786 /nfs/dbraw/zinc/22/27/86/1175222786.db2.gz ZPSFMAIFRBSQBA-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001676651086 1175473390 /nfs/dbraw/zinc/47/33/90/1175473390.db2.gz SHUVLDYPQZZFIF-GOEBONIOSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001677507012 1175572325 /nfs/dbraw/zinc/57/23/25/1175572325.db2.gz ZSWCPQLATKKYHM-HNNXBMFYSA-N 2 1 318.421 0.452 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001689353750 1176839773 /nfs/dbraw/zinc/83/97/73/1176839773.db2.gz NFXXKMOAQSWSBE-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001689353750 1176839778 /nfs/dbraw/zinc/83/97/78/1176839778.db2.gz NFXXKMOAQSWSBE-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001689887616 1177104007 /nfs/dbraw/zinc/10/40/07/1177104007.db2.gz JULNUKPXVZMEFS-HNNXBMFYSA-N 2 1 322.453 0.307 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690091749 1177168734 /nfs/dbraw/zinc/16/87/34/1177168734.db2.gz FVDCKYDLDJOONO-HOTGVXAUSA-N 2 1 305.422 0.169 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690091749 1177168739 /nfs/dbraw/zinc/16/87/39/1177168739.db2.gz FVDCKYDLDJOONO-HOTGVXAUSA-N 2 1 305.422 0.169 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001690436328 1177242208 /nfs/dbraw/zinc/24/22/08/1177242208.db2.gz MDBQYEGABFPKSL-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691924903 1177384513 /nfs/dbraw/zinc/38/45/13/1177384513.db2.gz MVVHDINLPCSNJY-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691924903 1177384518 /nfs/dbraw/zinc/38/45/18/1177384518.db2.gz MVVHDINLPCSNJY-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691924903 1177384527 /nfs/dbraw/zinc/38/45/27/1177384527.db2.gz MVVHDINLPCSNJY-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)C[C@@H](C)O)C2)CC1 ZINC001691997528 1177399679 /nfs/dbraw/zinc/39/96/79/1177399679.db2.gz DMYBFVVOALLQFU-CVEARBPZSA-N 2 1 321.465 0.493 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001698563913 1177558219 /nfs/dbraw/zinc/55/82/19/1177558219.db2.gz RRXZGKPQBDJLSH-DLBZAZTESA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001698563913 1177558223 /nfs/dbraw/zinc/55/82/23/1177558223.db2.gz RRXZGKPQBDJLSH-DLBZAZTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001699017430 1177772907 /nfs/dbraw/zinc/77/29/07/1177772907.db2.gz BAPPJWCADUAHPC-JSGCOSHPSA-N 2 1 304.394 0.858 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001699033843 1177781132 /nfs/dbraw/zinc/78/11/32/1177781132.db2.gz GMWQYXRTLFOVPR-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(CC)CC ZINC001699375310 1178107464 /nfs/dbraw/zinc/10/74/64/1178107464.db2.gz SGZFZSXETRDRSF-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(CC)CC ZINC001699375310 1178107468 /nfs/dbraw/zinc/10/74/68/1178107468.db2.gz SGZFZSXETRDRSF-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001699904176 1178360158 /nfs/dbraw/zinc/36/01/58/1178360158.db2.gz LOEBQRKBPZOCPO-KRWDZBQOSA-N 2 1 318.421 0.548 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001699904176 1178360167 /nfs/dbraw/zinc/36/01/67/1178360167.db2.gz LOEBQRKBPZOCPO-KRWDZBQOSA-N 2 1 318.421 0.548 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001699906428 1178362612 /nfs/dbraw/zinc/36/26/12/1178362612.db2.gz KGXKDGITCSCZTC-DOTOQJQBSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001699906428 1178362620 /nfs/dbraw/zinc/36/26/20/1178362620.db2.gz KGXKDGITCSCZTC-DOTOQJQBSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001699906428 1178362627 /nfs/dbraw/zinc/36/26/27/1178362627.db2.gz KGXKDGITCSCZTC-DOTOQJQBSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001700301365 1178571896 /nfs/dbraw/zinc/57/18/96/1178571896.db2.gz LYPNZRRBGRWZOB-CHWSQXEVSA-N 2 1 302.378 0.090 20 30 DCEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001700435800 1178616067 /nfs/dbraw/zinc/61/60/67/1178616067.db2.gz HNTUIAZXCMVHPH-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001700435800 1178616068 /nfs/dbraw/zinc/61/60/68/1178616068.db2.gz HNTUIAZXCMVHPH-GPANFISMSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001700753037 1178730949 /nfs/dbraw/zinc/73/09/49/1178730949.db2.gz SIGSJDNTJOCSSU-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC001700925527 1178805092 /nfs/dbraw/zinc/80/50/92/1178805092.db2.gz CDMUHQJBNORROD-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC001700925527 1178805101 /nfs/dbraw/zinc/80/51/01/1178805101.db2.gz CDMUHQJBNORROD-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCOC)C1 ZINC001713343785 1180778530 /nfs/dbraw/zinc/77/85/30/1180778530.db2.gz BBAYTHRAWYDCQK-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCOC)C1 ZINC001713343785 1180778537 /nfs/dbraw/zinc/77/85/37/1180778537.db2.gz BBAYTHRAWYDCQK-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001713740422 1181036093 /nfs/dbraw/zinc/03/60/93/1181036093.db2.gz SKNFJPZJHMWQRI-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001713740422 1181036098 /nfs/dbraw/zinc/03/60/98/1181036098.db2.gz SKNFJPZJHMWQRI-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001714050157 1181226082 /nfs/dbraw/zinc/22/60/82/1181226082.db2.gz ONMFMVRIGFTONH-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714050157 1181226088 /nfs/dbraw/zinc/22/60/88/1181226088.db2.gz ONMFMVRIGFTONH-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714480884 1181386655 /nfs/dbraw/zinc/38/66/55/1181386655.db2.gz BYFHQFHTFMVVSV-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001714910443 1181598781 /nfs/dbraw/zinc/59/87/81/1181598781.db2.gz WLZOPTRCXYXTTB-MRXNPFEDSA-N 2 1 318.421 0.622 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001714910443 1181598783 /nfs/dbraw/zinc/59/87/83/1181598783.db2.gz WLZOPTRCXYXTTB-MRXNPFEDSA-N 2 1 318.421 0.622 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCn1cccn1 ZINC001715234766 1181727079 /nfs/dbraw/zinc/72/70/79/1181727079.db2.gz CAVPXPRGPZLYME-CVEARBPZSA-N 2 1 317.437 0.323 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCn1cccn1 ZINC001715234766 1181727084 /nfs/dbraw/zinc/72/70/84/1181727084.db2.gz CAVPXPRGPZLYME-CVEARBPZSA-N 2 1 317.437 0.323 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001715321328 1181771600 /nfs/dbraw/zinc/77/16/00/1181771600.db2.gz NDNRZSQBQPHETD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001715396423 1181800717 /nfs/dbraw/zinc/80/07/17/1181800717.db2.gz YGXFGOAFOHIRME-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001715396423 1181800719 /nfs/dbraw/zinc/80/07/19/1181800719.db2.gz YGXFGOAFOHIRME-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001715529750 1181842497 /nfs/dbraw/zinc/84/24/97/1181842497.db2.gz LIYZQMZXMIFGQX-CQSZACIVSA-N 2 1 310.442 0.115 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)CC[NH+](C)C)C1=O ZINC001715529750 1181842501 /nfs/dbraw/zinc/84/25/01/1181842501.db2.gz LIYZQMZXMIFGQX-CQSZACIVSA-N 2 1 310.442 0.115 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001715600895 1181888219 /nfs/dbraw/zinc/88/82/19/1181888219.db2.gz RYBRWBHHQIEFFW-UKRRQHHQSA-N 2 1 306.410 0.397 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716061705 1182169129 /nfs/dbraw/zinc/16/91/29/1182169129.db2.gz AMYQZQKIBUNATJ-NVXWUHKLSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001716061707 1182169502 /nfs/dbraw/zinc/16/95/02/1182169502.db2.gz AMYQZQKIBUNATJ-WBVHZDCISA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001716407822 1182378270 /nfs/dbraw/zinc/37/82/70/1182378270.db2.gz ANFISZRYKHUHBA-MCIONIFRSA-N 2 1 310.442 0.256 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CCCC1 ZINC001716824207 1182536119 /nfs/dbraw/zinc/53/61/19/1182536119.db2.gz XMVWQXUUFROPOW-QGZVFWFLSA-N 2 1 321.465 0.997 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001716946879 1182600356 /nfs/dbraw/zinc/60/03/56/1182600356.db2.gz RHZNMZDQLSGTHC-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001717014143 1182622337 /nfs/dbraw/zinc/62/23/37/1182622337.db2.gz HAOUTRFRYUBHEJ-IYBDPMFKSA-N 2 1 316.405 0.232 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001717014143 1182622338 /nfs/dbraw/zinc/62/23/38/1182622338.db2.gz HAOUTRFRYUBHEJ-IYBDPMFKSA-N 2 1 316.405 0.232 20 30 DCEDMP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#CCOC)[C@H]1C ZINC001717861088 1183035589 /nfs/dbraw/zinc/03/55/89/1183035589.db2.gz SYSNTIZCZZGFPD-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#CCOC)[C@H]1C ZINC001717861088 1183035595 /nfs/dbraw/zinc/03/55/95/1183035595.db2.gz SYSNTIZCZZGFPD-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC#CCOC)[C@H]1C ZINC001717861088 1183035598 /nfs/dbraw/zinc/03/55/98/1183035598.db2.gz SYSNTIZCZZGFPD-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC#CCOC)[C@H]1C ZINC001717861088 1183035602 /nfs/dbraw/zinc/03/56/02/1183035602.db2.gz SYSNTIZCZZGFPD-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001717924301 1183063670 /nfs/dbraw/zinc/06/36/70/1183063670.db2.gz GWXFSCODHRDSMN-HOTGVXAUSA-N 2 1 309.454 0.541 20 30 DCEDMP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717942763 1183082295 /nfs/dbraw/zinc/08/22/95/1183082295.db2.gz CCHWSYARLVMWKM-OAHLLOKOSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CCC[N@@H+](C)CCN(C(=O)CC[NH+]1CCOCC1)C(C)C ZINC001717951381 1183088560 /nfs/dbraw/zinc/08/85/60/1183088560.db2.gz RPYJNTWSZHSCEJ-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[N@H+](C)CCN(C(=O)CC[NH+]1CCOCC1)C(C)C ZINC001717951381 1183088566 /nfs/dbraw/zinc/08/85/66/1183088566.db2.gz RPYJNTWSZHSCEJ-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001724430502 1184441325 /nfs/dbraw/zinc/44/13/25/1184441325.db2.gz NNSUZCUAPAZQHZ-SFHVURJKSA-N 2 1 315.417 0.305 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001724430502 1184441326 /nfs/dbraw/zinc/44/13/26/1184441326.db2.gz NNSUZCUAPAZQHZ-SFHVURJKSA-N 2 1 315.417 0.305 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001724430502 1184441329 /nfs/dbraw/zinc/44/13/29/1184441329.db2.gz NNSUZCUAPAZQHZ-SFHVURJKSA-N 2 1 315.417 0.305 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001724430502 1184441330 /nfs/dbraw/zinc/44/13/30/1184441330.db2.gz NNSUZCUAPAZQHZ-SFHVURJKSA-N 2 1 315.417 0.305 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCO1 ZINC001724814451 1184570684 /nfs/dbraw/zinc/57/06/84/1184570684.db2.gz CSMRRVVABJMUQK-HOCLYGCPSA-N 2 1 318.421 0.757 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCO1 ZINC001724814409 1184570758 /nfs/dbraw/zinc/57/07/58/1184570758.db2.gz CSMRRVVABJMUQK-GDBMZVCRSA-N 2 1 318.421 0.757 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001725004909 1184653811 /nfs/dbraw/zinc/65/38/11/1184653811.db2.gz ZTNBBFCVFXCSKJ-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001725286493 1184754166 /nfs/dbraw/zinc/75/41/66/1184754166.db2.gz FWXZZNBIWFQHAK-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001725286493 1184754171 /nfs/dbraw/zinc/75/41/71/1184754171.db2.gz FWXZZNBIWFQHAK-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725722090 1184972511 /nfs/dbraw/zinc/97/25/11/1184972511.db2.gz QQSVTPXGVCHCFF-JYJNAYRXSA-N 2 1 309.454 0.491 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725722090 1184972517 /nfs/dbraw/zinc/97/25/17/1184972517.db2.gz QQSVTPXGVCHCFF-JYJNAYRXSA-N 2 1 309.454 0.491 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001725722090 1184972520 /nfs/dbraw/zinc/97/25/20/1184972520.db2.gz QQSVTPXGVCHCFF-JYJNAYRXSA-N 2 1 309.454 0.491 20 30 DCEDMP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001725803799 1185000304 /nfs/dbraw/zinc/00/03/04/1185000304.db2.gz HELCHSYEVXTDNB-CYBMUJFWSA-N 2 1 303.834 0.755 20 30 DCEDMP C#CCC[NH2+]C1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001731572282 1185394950 /nfs/dbraw/zinc/39/49/50/1185394950.db2.gz VLIFXBWJPMKABR-UHFFFAOYSA-N 2 1 307.438 0.749 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC#Cc1ccccc1 ZINC001731590002 1185401711 /nfs/dbraw/zinc/40/17/11/1185401711.db2.gz XSSIBBMMJILAEC-WBVHZDCISA-N 2 1 315.417 0.463 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC#Cc1ccccc1 ZINC001731590002 1185401717 /nfs/dbraw/zinc/40/17/17/1185401717.db2.gz XSSIBBMMJILAEC-WBVHZDCISA-N 2 1 315.417 0.463 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001731946855 1185598991 /nfs/dbraw/zinc/59/89/91/1185598991.db2.gz OPIBWDSZHHFTEJ-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001732164031 1185715289 /nfs/dbraw/zinc/71/52/89/1185715289.db2.gz XPAZRXAFVVQPEK-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001732398053 1185798990 /nfs/dbraw/zinc/79/89/90/1185798990.db2.gz FIGMRAGAFBFCEN-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCOC1 ZINC001732859406 1186019062 /nfs/dbraw/zinc/01/90/62/1186019062.db2.gz JTZIHKVUCSOWDE-QCDWVSHVSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCOC1 ZINC001732859406 1186019064 /nfs/dbraw/zinc/01/90/64/1186019064.db2.gz JTZIHKVUCSOWDE-QCDWVSHVSA-N 2 1 319.449 0.773 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001733249584 1186202468 /nfs/dbraw/zinc/20/24/68/1186202468.db2.gz FXKZSWKVEPGMCP-CYBMUJFWSA-N 2 1 319.409 0.121 20 30 DCEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001733493270 1186302605 /nfs/dbraw/zinc/30/26/05/1186302605.db2.gz RCACRFOUYFINBR-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001733493270 1186302612 /nfs/dbraw/zinc/30/26/12/1186302612.db2.gz RCACRFOUYFINBR-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001733493270 1186302618 /nfs/dbraw/zinc/30/26/18/1186302618.db2.gz RCACRFOUYFINBR-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001734181858 1186571578 /nfs/dbraw/zinc/57/15/78/1186571578.db2.gz JDNNDOHVNOWRBO-DZGCQCFKSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001734523887 1186676519 /nfs/dbraw/zinc/67/65/19/1186676519.db2.gz ZOSNVMSECMSXPP-JKSUJKDBSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001734523886 1186676823 /nfs/dbraw/zinc/67/68/23/1186676823.db2.gz ZOSNVMSECMSXPP-HZPDHXFCSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CCOC ZINC001734577878 1186694532 /nfs/dbraw/zinc/69/45/32/1186694532.db2.gz DVJGHJSAHVBTDG-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CCOC ZINC001734577878 1186694534 /nfs/dbraw/zinc/69/45/34/1186694534.db2.gz DVJGHJSAHVBTDG-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001752462969 1188424598 /nfs/dbraw/zinc/42/45/98/1188424598.db2.gz JCUNGKLUGFOEDO-BPLDGKMQSA-N 2 1 322.453 0.113 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001753340164 1188567674 /nfs/dbraw/zinc/56/76/74/1188567674.db2.gz ZAMPSWVHIKABLC-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001753345065 1188570220 /nfs/dbraw/zinc/57/02/20/1188570220.db2.gz CEMNZUYYSNNPKX-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001753345065 1188570222 /nfs/dbraw/zinc/57/02/22/1188570222.db2.gz CEMNZUYYSNNPKX-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001753345065 1188570224 /nfs/dbraw/zinc/57/02/24/1188570224.db2.gz CEMNZUYYSNNPKX-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001753902881 1188675112 /nfs/dbraw/zinc/67/51/12/1188675112.db2.gz TYAUXSWCQBCBEN-CVEARBPZSA-N 2 1 318.421 0.716 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001754280708 1188808759 /nfs/dbraw/zinc/80/87/59/1188808759.db2.gz HNJGAYJLPRYEAG-ZFWWWQNUSA-N 2 1 318.421 0.498 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCOC)C1 ZINC001754697127 1188907937 /nfs/dbraw/zinc/90/79/37/1188907937.db2.gz LDCGMVOQACRIDE-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCOC)C1 ZINC001754697127 1188907942 /nfs/dbraw/zinc/90/79/42/1188907942.db2.gz LDCGMVOQACRIDE-FUHWJXTLSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754755577 1188922449 /nfs/dbraw/zinc/92/24/49/1188922449.db2.gz AFFNZLIQBYWZFR-GOSISDBHSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754755577 1188922451 /nfs/dbraw/zinc/92/24/51/1188922451.db2.gz AFFNZLIQBYWZFR-GOSISDBHSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754755577 1188922457 /nfs/dbraw/zinc/92/24/57/1188922457.db2.gz AFFNZLIQBYWZFR-GOSISDBHSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754755578 1188923225 /nfs/dbraw/zinc/92/32/25/1188923225.db2.gz AFFNZLIQBYWZFR-SFHVURJKSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754755578 1188923227 /nfs/dbraw/zinc/92/32/27/1188923227.db2.gz AFFNZLIQBYWZFR-SFHVURJKSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754755578 1188923230 /nfs/dbraw/zinc/92/32/30/1188923230.db2.gz AFFNZLIQBYWZFR-SFHVURJKSA-N 2 1 321.465 0.827 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001754889940 1188964685 /nfs/dbraw/zinc/96/46/85/1188964685.db2.gz CVQHLEYFJQXAIA-HNNXBMFYSA-N 2 1 318.421 0.188 20 30 DCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001755846367 1189234766 /nfs/dbraw/zinc/23/47/66/1189234766.db2.gz WSJKCRIDIAJNIM-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+](C)CCC)nn2)C1 ZINC001107231884 751962238 /nfs/dbraw/zinc/96/22/38/751962238.db2.gz PPKRMHNEUYDGOB-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+](C)CCC)nn2)C1 ZINC001107231884 751962244 /nfs/dbraw/zinc/96/22/44/751962244.db2.gz PPKRMHNEUYDGOB-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192700 746971217 /nfs/dbraw/zinc/97/12/17/746971217.db2.gz LRXQNOYHMAXINB-JKSUJKDBSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192700 746971221 /nfs/dbraw/zinc/97/12/21/746971221.db2.gz LRXQNOYHMAXINB-JKSUJKDBSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192700 746971227 /nfs/dbraw/zinc/97/12/27/746971227.db2.gz LRXQNOYHMAXINB-JKSUJKDBSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192700 746971231 /nfs/dbraw/zinc/97/12/31/746971231.db2.gz LRXQNOYHMAXINB-JKSUJKDBSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001098572718 747448878 /nfs/dbraw/zinc/44/88/78/747448878.db2.gz XXYSWRAEYCLDIQ-UHFFFAOYSA-N 2 1 321.465 0.781 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCC)C[C@@H]32)CC1 ZINC001083283714 747857062 /nfs/dbraw/zinc/85/70/62/747857062.db2.gz PFENSGFEASORSO-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105271138 748095415 /nfs/dbraw/zinc/09/54/15/748095415.db2.gz XRPYITRHRZVLEB-HNNXBMFYSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105271138 748095423 /nfs/dbraw/zinc/09/54/23/748095423.db2.gz XRPYITRHRZVLEB-HNNXBMFYSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100827455 748139638 /nfs/dbraw/zinc/13/96/38/748139638.db2.gz GHZBCEKXVLEWCO-WLYUNCDWSA-N 2 1 324.469 0.503 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372732 748638473 /nfs/dbraw/zinc/63/84/73/748638473.db2.gz VKQXBBUBGRVLEL-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372732 748638477 /nfs/dbraw/zinc/63/84/77/748638477.db2.gz VKQXBBUBGRVLEL-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682932 752295309 /nfs/dbraw/zinc/29/53/09/752295309.db2.gz RULVFGQRDBONSS-NUEKZKHPSA-N 2 1 318.421 0.491 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682932 752295313 /nfs/dbraw/zinc/29/53/13/752295313.db2.gz RULVFGQRDBONSS-NUEKZKHPSA-N 2 1 318.421 0.491 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105973958 750613192 /nfs/dbraw/zinc/61/31/92/750613192.db2.gz IANTUPTXPNKXNA-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105973958 750613193 /nfs/dbraw/zinc/61/31/93/750613193.db2.gz IANTUPTXPNKXNA-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105979714 750614856 /nfs/dbraw/zinc/61/48/56/750614856.db2.gz ZZVDFUPAOXMXLM-MRVWCRGKSA-N 2 1 315.845 0.754 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105979714 750614860 /nfs/dbraw/zinc/61/48/60/750614860.db2.gz ZZVDFUPAOXMXLM-MRVWCRGKSA-N 2 1 315.845 0.754 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062994 753457674 /nfs/dbraw/zinc/45/76/74/753457674.db2.gz KEQVIEOQIREKHB-HOTGVXAUSA-N 2 1 308.470 0.731 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075855 753468219 /nfs/dbraw/zinc/46/82/19/753468219.db2.gz GVOFSQATQCCXSO-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075855 753468220 /nfs/dbraw/zinc/46/82/20/753468220.db2.gz GVOFSQATQCCXSO-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075855 753468221 /nfs/dbraw/zinc/46/82/21/753468221.db2.gz GVOFSQATQCCXSO-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047379995 754226322 /nfs/dbraw/zinc/22/63/22/754226322.db2.gz UVSWHYADHPUCOQ-GJZGRUSLSA-N 2 1 309.454 0.940 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047379995 754226328 /nfs/dbraw/zinc/22/63/28/754226328.db2.gz UVSWHYADHPUCOQ-GJZGRUSLSA-N 2 1 309.454 0.940 20 30 DCEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047505179 754341748 /nfs/dbraw/zinc/34/17/48/754341748.db2.gz CMIAQOLGHBRSTR-KBPBESRZSA-N 2 1 305.378 0.092 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090257708 754469106 /nfs/dbraw/zinc/46/91/06/754469106.db2.gz AYCLTLPMCOXNDC-GJZGRUSLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)CC1 ZINC001049235105 755197220 /nfs/dbraw/zinc/19/72/20/755197220.db2.gz KXSRSKFRGCRTDA-CALCHBBNSA-N 2 1 319.449 0.104 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049904589 755441086 /nfs/dbraw/zinc/44/10/86/755441086.db2.gz QHLRELORVTWVNS-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049904589 755441088 /nfs/dbraw/zinc/44/10/88/755441088.db2.gz QHLRELORVTWVNS-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904589 755441090 /nfs/dbraw/zinc/44/10/90/755441090.db2.gz QHLRELORVTWVNS-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904589 755441092 /nfs/dbraw/zinc/44/10/92/755441092.db2.gz QHLRELORVTWVNS-BBWFWOEESA-N 2 1 319.449 0.796 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090356319 755668149 /nfs/dbraw/zinc/66/81/49/755668149.db2.gz VVOYMNYXKPVCGI-GJZGRUSLSA-N 2 1 307.438 0.600 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001054213973 756406939 /nfs/dbraw/zinc/40/69/39/756406939.db2.gz NJBIRTXNDVPJFR-SFHVURJKSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001054213973 756406942 /nfs/dbraw/zinc/40/69/42/756406942.db2.gz NJBIRTXNDVPJFR-SFHVURJKSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001054910615 756673201 /nfs/dbraw/zinc/67/32/01/756673201.db2.gz DEQGGIRCBRSHDO-UKRRQHHQSA-N 2 1 300.406 0.832 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001081840940 756839001 /nfs/dbraw/zinc/83/90/01/756839001.db2.gz XXEBOGXOUPBYQL-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001081840940 756839005 /nfs/dbraw/zinc/83/90/05/756839005.db2.gz XXEBOGXOUPBYQL-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081980978 756892298 /nfs/dbraw/zinc/89/22/98/756892298.db2.gz MGGAYLHPLHNDMQ-BZUAXINKSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081980978 756892306 /nfs/dbraw/zinc/89/23/06/756892306.db2.gz MGGAYLHPLHNDMQ-BZUAXINKSA-N 2 1 307.438 0.862 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090400757 758242797 /nfs/dbraw/zinc/24/27/97/758242797.db2.gz YCDOPGRLLBOOKW-JKSUJKDBSA-N 2 1 312.373 0.523 20 30 DCEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098480216 762679551 /nfs/dbraw/zinc/67/95/51/762679551.db2.gz VEJWJEHJSPBERB-INIZCTEOSA-N 2 1 309.454 0.635 20 30 DCEDMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052107084 759183587 /nfs/dbraw/zinc/18/35/87/759183587.db2.gz ANJGYHFVXBWOPM-HZPDHXFCSA-N 2 1 319.453 0.070 20 30 DCEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052107084 759183596 /nfs/dbraw/zinc/18/35/96/759183596.db2.gz ANJGYHFVXBWOPM-HZPDHXFCSA-N 2 1 319.453 0.070 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108266 759184318 /nfs/dbraw/zinc/18/43/18/759184318.db2.gz LQFSFKIDBJUTKL-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108266 759184321 /nfs/dbraw/zinc/18/43/21/759184321.db2.gz LQFSFKIDBJUTKL-SJORKVTESA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052116956 759189539 /nfs/dbraw/zinc/18/95/39/759189539.db2.gz CDVRGJAXJKIHCM-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052116956 759189542 /nfs/dbraw/zinc/18/95/42/759189542.db2.gz CDVRGJAXJKIHCM-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117587 759191626 /nfs/dbraw/zinc/19/16/26/759191626.db2.gz UQHLRAYNTXYEOC-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001098391887 759218504 /nfs/dbraw/zinc/21/85/04/759218504.db2.gz JFCQYJXKCRKQAM-UHFFFAOYSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098391887 759218511 /nfs/dbraw/zinc/21/85/11/759218511.db2.gz JFCQYJXKCRKQAM-UHFFFAOYSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098391887 759218518 /nfs/dbraw/zinc/21/85/18/759218518.db2.gz JFCQYJXKCRKQAM-UHFFFAOYSA-N 2 1 309.454 0.942 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001098399351 759574676 /nfs/dbraw/zinc/57/46/76/759574676.db2.gz LAFSSSAKIHGBPA-INIZCTEOSA-N 2 1 309.454 0.491 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098429005 760110347 /nfs/dbraw/zinc/11/03/47/760110347.db2.gz OHICNVNSEVMKPL-UHFFFAOYSA-N 2 1 306.410 0.663 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098429005 760110349 /nfs/dbraw/zinc/11/03/49/760110349.db2.gz OHICNVNSEVMKPL-UHFFFAOYSA-N 2 1 306.410 0.663 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCc2cncn2C)[C@H](O)C1 ZINC001100094631 760246105 /nfs/dbraw/zinc/24/61/05/760246105.db2.gz PVPYJGDFLHOBQE-HUUCEWRRSA-N 2 1 306.410 0.480 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216796 767939123 /nfs/dbraw/zinc/93/91/23/767939123.db2.gz RUWXGOBXKXEVNU-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108343405 760417419 /nfs/dbraw/zinc/41/74/19/760417419.db2.gz QSBIOHZXOFQGNE-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108343405 760417426 /nfs/dbraw/zinc/41/74/26/760417426.db2.gz QSBIOHZXOFQGNE-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343405 760417431 /nfs/dbraw/zinc/41/74/31/760417431.db2.gz QSBIOHZXOFQGNE-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343405 760417437 /nfs/dbraw/zinc/41/74/37/760417437.db2.gz QSBIOHZXOFQGNE-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124444 760438159 /nfs/dbraw/zinc/43/81/59/760438159.db2.gz IDTDMWYTOINXKR-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070274213 761160146 /nfs/dbraw/zinc/16/01/46/761160146.db2.gz XHZUMFLACDHJDG-KFWWJZLASA-N 2 1 318.425 0.290 20 30 DCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386544 761317249 /nfs/dbraw/zinc/31/72/49/761317249.db2.gz MTQDQNUMFJLECJ-LSDHHAIUSA-N 2 1 307.442 0.874 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535060 762959908 /nfs/dbraw/zinc/95/99/08/762959908.db2.gz IDMXUBQOBDPSLY-UHFFFAOYSA-N 2 1 322.453 0.377 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1csc(C)n1 ZINC001129770855 763008238 /nfs/dbraw/zinc/00/82/38/763008238.db2.gz LSJQYOQPGJQMKQ-HNNXBMFYSA-N 2 1 320.462 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1csc(C)n1 ZINC001129770855 763008242 /nfs/dbraw/zinc/00/82/42/763008242.db2.gz LSJQYOQPGJQMKQ-HNNXBMFYSA-N 2 1 320.462 0.797 20 30 DCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075159 763114870 /nfs/dbraw/zinc/11/48/70/763114870.db2.gz OZUOREQBNURGJL-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041593 763248867 /nfs/dbraw/zinc/24/88/67/763248867.db2.gz LKMCDCYKBLVCBC-CABCVRRESA-N 2 1 313.442 0.082 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130417935 763302676 /nfs/dbraw/zinc/30/26/76/763302676.db2.gz LTFXORXCTGAELG-CQSZACIVSA-N 2 1 317.437 0.790 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100114331 763323483 /nfs/dbraw/zinc/32/34/83/763323483.db2.gz LSXVXQMCNZHBIJ-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115671 763327579 /nfs/dbraw/zinc/32/75/79/763327579.db2.gz BHURPBIZSDIERS-DLBZAZTESA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC)[C@H](OCC)C1 ZINC001087060077 768125081 /nfs/dbraw/zinc/12/50/81/768125081.db2.gz MMPXHTVFWUYSQZ-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC)[C@H](OCC)C1 ZINC001087060077 768125087 /nfs/dbraw/zinc/12/50/87/768125087.db2.gz MMPXHTVFWUYSQZ-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090491121 763434007 /nfs/dbraw/zinc/43/40/07/763434007.db2.gz XMHCJPJRJXMQBN-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001100523035 763632538 /nfs/dbraw/zinc/63/25/38/763632538.db2.gz SHOCUAFLCCEGFH-KUNBBXKYSA-N 2 1 317.433 0.357 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091855929 768150182 /nfs/dbraw/zinc/15/01/82/768150182.db2.gz AFYALBOOTOBQNO-WBVHZDCISA-N 2 1 300.406 0.995 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091855929 768150184 /nfs/dbraw/zinc/15/01/84/768150184.db2.gz AFYALBOOTOBQNO-WBVHZDCISA-N 2 1 300.406 0.995 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815568 764051920 /nfs/dbraw/zinc/05/19/20/764051920.db2.gz JHNZSIWYDJGHIZ-UHFFFAOYSA-N 2 1 324.469 0.649 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460778 764102233 /nfs/dbraw/zinc/10/22/33/764102233.db2.gz XAXGGBDYWANXFX-NUJGCVRESA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460778 764102239 /nfs/dbraw/zinc/10/22/39/764102239.db2.gz XAXGGBDYWANXFX-NUJGCVRESA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460778 764102244 /nfs/dbraw/zinc/10/22/44/764102244.db2.gz XAXGGBDYWANXFX-NUJGCVRESA-N 2 1 321.465 0.921 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461473 764102985 /nfs/dbraw/zinc/10/29/85/764102985.db2.gz DIFZZENLZGAOGN-AEFFLSMTSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001098477802 764143136 /nfs/dbraw/zinc/14/31/36/764143136.db2.gz KLPUTVIIHWCUHH-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477802 764143140 /nfs/dbraw/zinc/14/31/40/764143140.db2.gz KLPUTVIIHWCUHH-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477802 764143141 /nfs/dbraw/zinc/14/31/41/764143141.db2.gz KLPUTVIIHWCUHH-INIZCTEOSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819669 764349158 /nfs/dbraw/zinc/34/91/58/764349158.db2.gz PSQASEYKCFMECI-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819669 764349165 /nfs/dbraw/zinc/34/91/65/764349165.db2.gz PSQASEYKCFMECI-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819669 764349171 /nfs/dbraw/zinc/34/91/71/764349171.db2.gz PSQASEYKCFMECI-RBSFLKMASA-N 2 1 322.453 0.067 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818649 764829133 /nfs/dbraw/zinc/82/91/33/764829133.db2.gz ASKUVZHAHWXENR-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818649 764829140 /nfs/dbraw/zinc/82/91/40/764829140.db2.gz ASKUVZHAHWXENR-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818649 764829149 /nfs/dbraw/zinc/82/91/49/764829149.db2.gz ASKUVZHAHWXENR-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818649 764829159 /nfs/dbraw/zinc/82/91/59/764829159.db2.gz ASKUVZHAHWXENR-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133166334 764855146 /nfs/dbraw/zinc/85/51/46/764855146.db2.gz SROLXZGGXDYLHS-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133870882 765200431 /nfs/dbraw/zinc/20/04/31/765200431.db2.gz WNNHUWIYRUUDOX-XJKSGUPXSA-N 2 1 300.406 0.962 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134766257 765661257 /nfs/dbraw/zinc/66/12/57/765661257.db2.gz FTFRQHWTGKARSZ-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124866660 768316991 /nfs/dbraw/zinc/31/69/91/768316991.db2.gz IINHFYDCAZPXHS-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CCCCC1 ZINC001115577837 765761482 /nfs/dbraw/zinc/76/14/82/765761482.db2.gz LFVCWVDXYXWSEP-HNNXBMFYSA-N 2 1 307.438 0.485 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CCCCC1 ZINC001115577837 765761487 /nfs/dbraw/zinc/76/14/87/765761487.db2.gz LFVCWVDXYXWSEP-HNNXBMFYSA-N 2 1 307.438 0.485 20 30 DCEDMP C[NH+]1CCN(CCCCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001118571584 766361999 /nfs/dbraw/zinc/36/19/99/766361999.db2.gz FQZWTWUJJVQZRH-UHFFFAOYSA-N 2 1 306.454 0.133 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090616193 766382045 /nfs/dbraw/zinc/38/20/45/766382045.db2.gz MWALOLLDAGCYMB-KGLIPLIRSA-N 2 1 306.410 0.744 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090616193 766382054 /nfs/dbraw/zinc/38/20/54/766382054.db2.gz MWALOLLDAGCYMB-KGLIPLIRSA-N 2 1 306.410 0.744 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691979 766482121 /nfs/dbraw/zinc/48/21/21/766482121.db2.gz JEEJENAEHZHIEZ-IRXDYDNUSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090694482 766483031 /nfs/dbraw/zinc/48/30/31/766483031.db2.gz ZUEISXYNEVAFKR-JKSUJKDBSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090694482 766483035 /nfs/dbraw/zinc/48/30/35/766483035.db2.gz ZUEISXYNEVAFKR-JKSUJKDBSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170536 766924127 /nfs/dbraw/zinc/92/41/27/766924127.db2.gz NFHUJUJMKDTVRT-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170536 766924134 /nfs/dbraw/zinc/92/41/34/766924134.db2.gz NFHUJUJMKDTVRT-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333746 767426138 /nfs/dbraw/zinc/42/61/38/767426138.db2.gz QRIMCWMVGOOLMV-STQMWFEESA-N 2 1 321.425 0.367 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001147747114 767840186 /nfs/dbraw/zinc/84/01/86/767840186.db2.gz BRNWCFLYSLUCGK-INIZCTEOSA-N 2 1 321.465 0.757 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384659 769040413 /nfs/dbraw/zinc/04/04/13/769040413.db2.gz CZNDIVKPGTYDMI-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384659 769040425 /nfs/dbraw/zinc/04/04/25/769040425.db2.gz CZNDIVKPGTYDMI-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384659 769040436 /nfs/dbraw/zinc/04/04/36/769040436.db2.gz CZNDIVKPGTYDMI-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384659 769040447 /nfs/dbraw/zinc/04/04/47/769040447.db2.gz CZNDIVKPGTYDMI-LZLYRXPVSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171873631 769384792 /nfs/dbraw/zinc/38/47/92/769384792.db2.gz SHAYZRIOJFINPT-JBCIKUTRSA-N 2 1 319.449 0.747 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386214 769542059 /nfs/dbraw/zinc/54/20/59/769542059.db2.gz DVQXAWXAJWDROG-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386214 769542068 /nfs/dbraw/zinc/54/20/68/769542068.db2.gz DVQXAWXAJWDROG-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152386214 769542074 /nfs/dbraw/zinc/54/20/74/769542074.db2.gz DVQXAWXAJWDROG-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152386214 769542081 /nfs/dbraw/zinc/54/20/81/769542081.db2.gz DVQXAWXAJWDROG-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001152523534 769591464 /nfs/dbraw/zinc/59/14/64/769591464.db2.gz XJRXMPNEZMYPIK-INIZCTEOSA-N 2 1 318.421 0.297 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001176285733 770061374 /nfs/dbraw/zinc/06/13/74/770061374.db2.gz QAWBFUJCALKBIJ-OAHLLOKOSA-N 2 1 324.469 0.342 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226073 770439325 /nfs/dbraw/zinc/43/93/25/770439325.db2.gz GOOMZHZYARIPNB-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226073 770439328 /nfs/dbraw/zinc/43/93/28/770439328.db2.gz GOOMZHZYARIPNB-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226073 770439329 /nfs/dbraw/zinc/43/93/29/770439329.db2.gz GOOMZHZYARIPNB-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226073 770439331 /nfs/dbraw/zinc/43/93/31/770439331.db2.gz GOOMZHZYARIPNB-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226072 770439763 /nfs/dbraw/zinc/43/97/63/770439763.db2.gz GOOMZHZYARIPNB-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226072 770439768 /nfs/dbraw/zinc/43/97/68/770439768.db2.gz GOOMZHZYARIPNB-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226072 770439773 /nfs/dbraw/zinc/43/97/73/770439773.db2.gz GOOMZHZYARIPNB-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226072 770439778 /nfs/dbraw/zinc/43/97/78/770439778.db2.gz GOOMZHZYARIPNB-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)O)C1 ZINC001181764096 771344268 /nfs/dbraw/zinc/34/42/68/771344268.db2.gz KWZOYKGAXLDYAN-MUQADHOPSA-N 2 1 321.465 0.539 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)O)C1 ZINC001181764096 771344271 /nfs/dbraw/zinc/34/42/71/771344271.db2.gz KWZOYKGAXLDYAN-MUQADHOPSA-N 2 1 321.465 0.539 20 30 DCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181897422 771366871 /nfs/dbraw/zinc/36/68/71/771366871.db2.gz XVVVDSZNOYFLPE-KCYZZUKISA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181897422 771366876 /nfs/dbraw/zinc/36/68/76/771366876.db2.gz XVVVDSZNOYFLPE-KCYZZUKISA-N 2 1 309.454 0.966 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158038087 771717517 /nfs/dbraw/zinc/71/75/17/771717517.db2.gz MUNRGTWYPQOEPD-HZPDHXFCSA-N 2 1 307.438 0.607 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589438 772072394 /nfs/dbraw/zinc/07/23/94/772072394.db2.gz TVGRNHOUBUACEN-INIZCTEOSA-N 2 1 312.373 0.193 20 30 DCEDMP N#Cc1ccc(O[C@H]2CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)cc1 ZINC001161324764 772205572 /nfs/dbraw/zinc/20/55/72/772205572.db2.gz SJXGKLBSUZOHJC-GJZGRUSLSA-N 2 1 302.378 0.604 20 30 DCEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001161914747 772298922 /nfs/dbraw/zinc/29/89/22/772298922.db2.gz PVGPLWZCJXSHJV-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161914747 772298923 /nfs/dbraw/zinc/29/89/23/772298923.db2.gz PVGPLWZCJXSHJV-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161914747 772298924 /nfs/dbraw/zinc/29/89/24/772298924.db2.gz PVGPLWZCJXSHJV-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161914747 772298925 /nfs/dbraw/zinc/29/89/25/772298925.db2.gz PVGPLWZCJXSHJV-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872435 772427414 /nfs/dbraw/zinc/42/74/14/772427414.db2.gz RRCCUWZWHQAIHR-JVWICGRDSA-N 2 1 313.829 0.698 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163820944 772577338 /nfs/dbraw/zinc/57/73/38/772577338.db2.gz JUVUEBSRMJJKGG-CQSZACIVSA-N 2 1 322.453 0.259 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190655185 772658627 /nfs/dbraw/zinc/65/86/27/772658627.db2.gz ONONMHMGAUMYDP-CVEARBPZSA-N 2 1 307.438 0.509 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164597182 772686831 /nfs/dbraw/zinc/68/68/31/772686831.db2.gz XWEAFEORRFGCNY-LSDHHAIUSA-N 2 1 305.422 0.359 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001190911227 772697863 /nfs/dbraw/zinc/69/78/63/772697863.db2.gz OEJSZPZEFURNBC-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191949194 772847508 /nfs/dbraw/zinc/84/75/08/772847508.db2.gz PJELKLOHRMEDEP-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191949194 772847513 /nfs/dbraw/zinc/84/75/13/772847513.db2.gz PJELKLOHRMEDEP-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191949194 772847518 /nfs/dbraw/zinc/84/75/18/772847518.db2.gz PJELKLOHRMEDEP-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191949194 772847523 /nfs/dbraw/zinc/84/75/23/772847523.db2.gz PJELKLOHRMEDEP-CVEARBPZSA-N 2 1 307.438 0.652 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192190719 772882178 /nfs/dbraw/zinc/88/21/78/772882178.db2.gz RBIDHLRWSNBOJW-HZPDHXFCSA-N 2 1 309.454 0.755 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462102 773066742 /nfs/dbraw/zinc/06/67/42/773066742.db2.gz KSEXFSBMXAVIID-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462102 773066744 /nfs/dbraw/zinc/06/67/44/773066744.db2.gz KSEXFSBMXAVIID-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193462102 773066746 /nfs/dbraw/zinc/06/67/46/773066746.db2.gz KSEXFSBMXAVIID-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193462102 773066747 /nfs/dbraw/zinc/06/67/47/773066747.db2.gz KSEXFSBMXAVIID-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCOC)C2)CC1 ZINC001194247628 773168167 /nfs/dbraw/zinc/16/81/67/773168167.db2.gz YQCUISISNQKCCS-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194294070 773178434 /nfs/dbraw/zinc/17/84/34/773178434.db2.gz JNGGHBYJOZRGIT-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194294070 773178437 /nfs/dbraw/zinc/17/84/37/773178437.db2.gz JNGGHBYJOZRGIT-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194294070 773178438 /nfs/dbraw/zinc/17/84/38/773178438.db2.gz JNGGHBYJOZRGIT-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705744 773277902 /nfs/dbraw/zinc/27/79/02/773277902.db2.gz IGPAKXUGDZKEJT-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208467419 773470091 /nfs/dbraw/zinc/47/00/91/773470091.db2.gz LZCFDUIAAPSOGC-CYBMUJFWSA-N 2 1 304.394 0.954 20 30 DCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001195859206 773486534 /nfs/dbraw/zinc/48/65/34/773486534.db2.gz GCGDMWAQWBLKPW-HZPDHXFCSA-N 2 1 316.405 0.171 20 30 DCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001195859206 773486537 /nfs/dbraw/zinc/48/65/37/773486537.db2.gz GCGDMWAQWBLKPW-HZPDHXFCSA-N 2 1 316.405 0.171 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208691455 773514512 /nfs/dbraw/zinc/51/45/12/773514512.db2.gz JAFBOUHCIJTPQO-MCIONIFRSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208691455 773514517 /nfs/dbraw/zinc/51/45/17/773514517.db2.gz JAFBOUHCIJTPQO-MCIONIFRSA-N 2 1 310.442 0.065 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196953117 773674411 /nfs/dbraw/zinc/67/44/11/773674411.db2.gz KEZGDQLLMXLNOJ-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196953117 773674414 /nfs/dbraw/zinc/67/44/14/773674414.db2.gz KEZGDQLLMXLNOJ-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210476473 773710915 /nfs/dbraw/zinc/71/09/15/773710915.db2.gz AUOUXCWYTYGGIL-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210476473 773710917 /nfs/dbraw/zinc/71/09/17/773710917.db2.gz AUOUXCWYTYGGIL-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210476473 773710919 /nfs/dbraw/zinc/71/09/19/773710919.db2.gz AUOUXCWYTYGGIL-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210476473 773710921 /nfs/dbraw/zinc/71/09/21/773710921.db2.gz AUOUXCWYTYGGIL-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674338 773728868 /nfs/dbraw/zinc/72/88/68/773728868.db2.gz SRCFUCPPBHJYOO-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284265 773789852 /nfs/dbraw/zinc/78/98/52/773789852.db2.gz KGYUPLGFOSOKLY-GJZGRUSLSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728756 773880031 /nfs/dbraw/zinc/88/00/31/773880031.db2.gz RLARCJCVNCNLGY-HUUCEWRRSA-N 2 1 323.437 0.100 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001199397793 774097911 /nfs/dbraw/zinc/09/79/11/774097911.db2.gz BZPKTHCWIGIDCB-HUUCEWRRSA-N 2 1 322.409 0.027 20 30 DCEDMP C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001199397793 774097913 /nfs/dbraw/zinc/09/79/13/774097913.db2.gz BZPKTHCWIGIDCB-HUUCEWRRSA-N 2 1 322.409 0.027 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183104 774292215 /nfs/dbraw/zinc/29/22/15/774292215.db2.gz VVTADLPWFBUSPX-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183104 774292221 /nfs/dbraw/zinc/29/22/21/774292221.db2.gz VVTADLPWFBUSPX-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357607 774463169 /nfs/dbraw/zinc/46/31/69/774463169.db2.gz CKTNMTZNDBZPBO-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357607 774463170 /nfs/dbraw/zinc/46/31/70/774463170.db2.gz CKTNMTZNDBZPBO-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357607 774463173 /nfs/dbraw/zinc/46/31/73/774463173.db2.gz CKTNMTZNDBZPBO-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357607 774463175 /nfs/dbraw/zinc/46/31/75/774463175.db2.gz CKTNMTZNDBZPBO-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001201268049 774480986 /nfs/dbraw/zinc/48/09/86/774480986.db2.gz VXWGWQGTKUXMNE-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201421922 774507517 /nfs/dbraw/zinc/50/75/17/774507517.db2.gz YBCFLFYKJWAUGK-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001202496013 774724505 /nfs/dbraw/zinc/72/45/05/774724505.db2.gz MJSCQTDRCXHKCB-CQSZACIVSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202504563 774770598 /nfs/dbraw/zinc/77/05/98/774770598.db2.gz UPASTQZZHIFXMT-ZBFHGGJFSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCOCC)C[C@H]21 ZINC001114420042 774852884 /nfs/dbraw/zinc/85/28/84/774852884.db2.gz AAZRAKGKOAIKBI-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCOCC)C[C@H]21 ZINC001114420042 774852893 /nfs/dbraw/zinc/85/28/93/774852893.db2.gz AAZRAKGKOAIKBI-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCOCC)C[C@H]21 ZINC001114420042 774852904 /nfs/dbraw/zinc/85/29/04/774852904.db2.gz AAZRAKGKOAIKBI-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCOCC)C[C@H]21 ZINC001114420042 774852913 /nfs/dbraw/zinc/85/29/13/774852913.db2.gz AAZRAKGKOAIKBI-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114458907 774880066 /nfs/dbraw/zinc/88/00/66/774880066.db2.gz WGAHBIVJZRBICD-FICVDOATSA-N 2 1 305.422 0.024 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994075 774972683 /nfs/dbraw/zinc/97/26/83/774972683.db2.gz AEFINNIMIGWHQM-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994075 774972687 /nfs/dbraw/zinc/97/26/87/774972687.db2.gz AEFINNIMIGWHQM-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154349 775010182 /nfs/dbraw/zinc/01/01/82/775010182.db2.gz MNWBLTUSAACUDY-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443534 775353143 /nfs/dbraw/zinc/35/31/43/775353143.db2.gz YMILSLDZMPBQCN-ZACQAIPSSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222443534 775353150 /nfs/dbraw/zinc/35/31/50/775353150.db2.gz YMILSLDZMPBQCN-ZACQAIPSSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222443534 775353160 /nfs/dbraw/zinc/35/31/60/775353160.db2.gz YMILSLDZMPBQCN-ZACQAIPSSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001041167706 777103918 /nfs/dbraw/zinc/10/39/18/777103918.db2.gz PUPQRBKKOFTLTL-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167706 777103925 /nfs/dbraw/zinc/10/39/25/777103925.db2.gz PUPQRBKKOFTLTL-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167706 777103929 /nfs/dbraw/zinc/10/39/29/777103929.db2.gz PUPQRBKKOFTLTL-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167706 777103944 /nfs/dbraw/zinc/10/39/44/777103944.db2.gz PUPQRBKKOFTLTL-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041741286 777461757 /nfs/dbraw/zinc/46/17/57/777461757.db2.gz MGDDZZKXSUVDBM-GOSISDBHSA-N 2 1 319.449 0.656 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041741286 777461764 /nfs/dbraw/zinc/46/17/64/777461764.db2.gz MGDDZZKXSUVDBM-GOSISDBHSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266272018 939038410 /nfs/dbraw/zinc/03/84/10/939038410.db2.gz VILQNOBGOURMCN-UHFFFAOYSA-N 2 1 320.481 0.475 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533611 939155011 /nfs/dbraw/zinc/15/50/11/939155011.db2.gz MYEFDNMKOZHVKU-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@H]2CC[C@@H](C)O2)CC1 ZINC001267232173 939397023 /nfs/dbraw/zinc/39/70/23/939397023.db2.gz BEPBYIFBPMOABH-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCOC)CCC1 ZINC001273100273 945251848 /nfs/dbraw/zinc/25/18/48/945251848.db2.gz TUCHMYHAMYGKLP-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCOC)CCC1 ZINC001273100273 945251858 /nfs/dbraw/zinc/25/18/58/945251858.db2.gz TUCHMYHAMYGKLP-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCN1C[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001273100979 945252477 /nfs/dbraw/zinc/25/24/77/945252477.db2.gz JSQCNHNKWCRHRY-SFHVURJKSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCOCC)C1 ZINC001267535926 939494318 /nfs/dbraw/zinc/49/43/18/939494318.db2.gz IGYQCVCMIMMLLA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCOCC)C1 ZINC001267535926 939494320 /nfs/dbraw/zinc/49/43/20/939494320.db2.gz IGYQCVCMIMMLLA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCOCC)C1 ZINC001267535926 939494322 /nfs/dbraw/zinc/49/43/22/939494322.db2.gz IGYQCVCMIMMLLA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCOCC)C1 ZINC001267535926 939494323 /nfs/dbraw/zinc/49/43/23/939494323.db2.gz IGYQCVCMIMMLLA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001481043693 939539558 /nfs/dbraw/zinc/53/95/58/939539558.db2.gz UYLHICWGIHEMDQ-AWEZNQCLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001481043693 939539559 /nfs/dbraw/zinc/53/95/59/939539559.db2.gz UYLHICWGIHEMDQ-AWEZNQCLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001481247691 939669878 /nfs/dbraw/zinc/66/98/78/939669878.db2.gz SZCFXBFMJWGAQI-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC#CCOC ZINC001267805598 939686275 /nfs/dbraw/zinc/68/62/75/939686275.db2.gz QZBSOOVHMKPMHV-HOTGVXAUSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001267921813 939705658 /nfs/dbraw/zinc/70/56/58/939705658.db2.gz RXCGCPSMNYDKLQ-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001267921813 939705660 /nfs/dbraw/zinc/70/56/60/939705660.db2.gz RXCGCPSMNYDKLQ-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001481461802 939875599 /nfs/dbraw/zinc/87/55/99/939875599.db2.gz IXOMVWBTCWZCCQ-JKSUJKDBSA-N 2 1 321.465 0.541 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC001268283117 940018410 /nfs/dbraw/zinc/01/84/10/940018410.db2.gz YHIDOBXCLISHKJ-GOEBONIOSA-N 2 1 318.421 0.867 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268307535 940046712 /nfs/dbraw/zinc/04/67/12/940046712.db2.gz HGGNUZSSEBZNGC-HZPDHXFCSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001268329418 940062442 /nfs/dbraw/zinc/06/24/42/940062442.db2.gz UAJYOXOWGCZUNW-JKSUJKDBSA-N 2 1 303.406 0.379 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC001245998973 945309817 /nfs/dbraw/zinc/30/98/17/945309817.db2.gz IBEXETMKHPMRTM-CABCVRRESA-N 3 1 315.458 0.506 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001269388132 940697635 /nfs/dbraw/zinc/69/76/35/940697635.db2.gz GOHGLVGUBDVGQY-KBPBESRZSA-N 2 1 320.437 0.106 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278437636 945367440 /nfs/dbraw/zinc/36/74/40/945367440.db2.gz GQZVDPGDVAREPT-YOEHRIQHSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278437636 945367450 /nfs/dbraw/zinc/36/74/50/945367450.db2.gz GQZVDPGDVAREPT-YOEHRIQHSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278437636 945367458 /nfs/dbraw/zinc/36/74/58/945367458.db2.gz GQZVDPGDVAREPT-YOEHRIQHSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278437636 945367466 /nfs/dbraw/zinc/36/74/66/945367466.db2.gz GQZVDPGDVAREPT-YOEHRIQHSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001270925765 941225777 /nfs/dbraw/zinc/22/57/77/941225777.db2.gz LWPMFANDDZUPPT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001270925765 941225778 /nfs/dbraw/zinc/22/57/78/941225778.db2.gz LWPMFANDDZUPPT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001271146612 941288798 /nfs/dbraw/zinc/28/87/98/941288798.db2.gz WWEKDXGWDBGFTO-RHSMWYFYSA-N 2 1 318.421 0.583 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001271146612 941288800 /nfs/dbraw/zinc/28/88/00/941288800.db2.gz WWEKDXGWDBGFTO-RHSMWYFYSA-N 2 1 318.421 0.583 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271956069 941491611 /nfs/dbraw/zinc/49/16/11/941491611.db2.gz ATSUAJYEFAISHC-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001271956069 941491612 /nfs/dbraw/zinc/49/16/12/941491612.db2.gz ATSUAJYEFAISHC-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001271956069 941491613 /nfs/dbraw/zinc/49/16/13/941491613.db2.gz ATSUAJYEFAISHC-WMZOPIPTSA-N 2 1 321.465 0.826 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001272565808 942828382 /nfs/dbraw/zinc/82/83/82/942828382.db2.gz OZUDRIZOPKIGNR-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2C[C@H]1C[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001047209448 942912887 /nfs/dbraw/zinc/91/28/87/942912887.db2.gz WCLUEANVWOFYRO-SZMVWBNQSA-N 2 1 313.445 0.934 20 30 DCEDMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001483985272 943071562 /nfs/dbraw/zinc/07/15/62/943071562.db2.gz QPGJRRDNLIWPAE-OAHLLOKOSA-N 2 1 321.465 0.778 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001484419596 943363237 /nfs/dbraw/zinc/36/32/37/943363237.db2.gz YNUWCQZXGWDASM-INIZCTEOSA-N 2 1 321.469 0.555 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001484619452 943480231 /nfs/dbraw/zinc/48/02/31/943480231.db2.gz YHXDBZFNUUTTPY-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001484758815 943561166 /nfs/dbraw/zinc/56/11/66/943561166.db2.gz LNKJDLIOMUPGPW-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001484758815 943561168 /nfs/dbraw/zinc/56/11/68/943561168.db2.gz LNKJDLIOMUPGPW-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001484758815 943561171 /nfs/dbraw/zinc/56/11/71/943561171.db2.gz LNKJDLIOMUPGPW-MRXNPFEDSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001484841511 943590393 /nfs/dbraw/zinc/59/03/93/943590393.db2.gz OMVSREPWPNOIJN-UXLLHSPISA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCN1CC[NH+](CCCCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001485010180 943652377 /nfs/dbraw/zinc/65/23/77/943652377.db2.gz UWAFGJYTQQWFRZ-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001495567781 943728131 /nfs/dbraw/zinc/72/81/31/943728131.db2.gz LVUCQVZHGYACJB-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CCOCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580280 944013785 /nfs/dbraw/zinc/01/37/85/944013785.db2.gz FMKYWOJTWYIVRY-GJZGRUSLSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580280 944013795 /nfs/dbraw/zinc/01/37/95/944013795.db2.gz FMKYWOJTWYIVRY-GJZGRUSLSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580280 944013804 /nfs/dbraw/zinc/01/38/04/944013804.db2.gz FMKYWOJTWYIVRY-GJZGRUSLSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001491549009 944115319 /nfs/dbraw/zinc/11/53/19/944115319.db2.gz UOPMGKVLRDBOKJ-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276609699 944231677 /nfs/dbraw/zinc/23/16/77/944231677.db2.gz XXIRVFMPSYQANF-KGLIPLIRSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276609699 944231686 /nfs/dbraw/zinc/23/16/86/944231686.db2.gz XXIRVFMPSYQANF-KGLIPLIRSA-N 2 1 324.469 0.455 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001486005163 944490680 /nfs/dbraw/zinc/49/06/80/944490680.db2.gz RPVOXBCLQJXURS-CHWSQXEVSA-N 2 1 303.834 0.680 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001486005163 944490684 /nfs/dbraw/zinc/49/06/84/944490684.db2.gz RPVOXBCLQJXURS-CHWSQXEVSA-N 2 1 303.834 0.680 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486133477 944587704 /nfs/dbraw/zinc/58/77/04/944587704.db2.gz COCKVOPZNQHBRL-ZIAGYGMSSA-N 2 1 310.442 0.208 20 30 DCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001486482633 944919203 /nfs/dbraw/zinc/91/92/03/944919203.db2.gz LSUIEMULPUSMPV-UHFFFAOYSA-N 2 1 304.394 0.420 20 30 DCEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246768493 945487039 /nfs/dbraw/zinc/48/70/39/945487039.db2.gz OSUACTBFHNRBGY-SOLBZPMBSA-N 2 1 321.465 0.907 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001319922048 945694413 /nfs/dbraw/zinc/69/44/13/945694413.db2.gz KGTIMDIKOLRKOZ-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001320451262 945885322 /nfs/dbraw/zinc/88/53/22/945885322.db2.gz WFEQWHQEIPKXTG-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCO[C@@H]1CCN(CC(O)C[N@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320859832 946043871 /nfs/dbraw/zinc/04/38/71/946043871.db2.gz XTEPNLOMLPUGKM-IAGOWNOFSA-N 2 1 310.438 0.901 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001321652468 946415054 /nfs/dbraw/zinc/41/50/54/946415054.db2.gz KWZOACXBQZMZGB-HIFRSBDPSA-N 2 1 318.421 0.498 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC001278889564 946554174 /nfs/dbraw/zinc/55/41/74/946554174.db2.gz YSOAPRKHROGEDA-INIZCTEOSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCOC ZINC001279045198 946767960 /nfs/dbraw/zinc/76/79/60/946767960.db2.gz SDMRUAKPWIPVBS-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCOC ZINC001279045198 946767964 /nfs/dbraw/zinc/76/79/64/946767964.db2.gz SDMRUAKPWIPVBS-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CCOC ZINC001279045198 946767971 /nfs/dbraw/zinc/76/79/71/946767971.db2.gz SDMRUAKPWIPVBS-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CCOC ZINC001279045198 946767980 /nfs/dbraw/zinc/76/79/80/946767980.db2.gz SDMRUAKPWIPVBS-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001280626747 947490657 /nfs/dbraw/zinc/49/06/57/947490657.db2.gz ADMCVZRPZKTHBK-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001325097589 947649641 /nfs/dbraw/zinc/64/96/41/947649641.db2.gz MKSGZZBRWMRJQO-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001325097589 947649656 /nfs/dbraw/zinc/64/96/56/947649656.db2.gz MKSGZZBRWMRJQO-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001325160011 947686838 /nfs/dbraw/zinc/68/68/38/947686838.db2.gz IVUSYOYPFGMESV-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325161012 947687883 /nfs/dbraw/zinc/68/78/83/947687883.db2.gz LGNDDHRAVRPXCY-WBVHZDCISA-N 2 1 309.454 0.846 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#CCOC)C1 ZINC001325456316 947800377 /nfs/dbraw/zinc/80/03/77/947800377.db2.gz NWEKFKIAESVZNE-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001325793899 947926683 /nfs/dbraw/zinc/92/66/83/947926683.db2.gz HVDMHIYIJTVSAN-UHFFFAOYSA-N 2 1 317.437 0.385 20 30 DCEDMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001326017135 948020509 /nfs/dbraw/zinc/02/05/09/948020509.db2.gz WLYHSLTVBJZXMU-CQSZACIVSA-N 2 1 323.441 0.114 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)O2 ZINC001327359986 948477904 /nfs/dbraw/zinc/47/79/04/948477904.db2.gz QXEJTINBXKSONR-CVEARBPZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)O2 ZINC001327365146 948478967 /nfs/dbraw/zinc/47/89/67/948478967.db2.gz QXEJTINBXKSONR-JKSUJKDBSA-N 2 1 321.465 0.946 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001263857025 948784346 /nfs/dbraw/zinc/78/43/46/948784346.db2.gz JDJMPWLAPSQVQA-ZQDZILKHSA-N 2 1 322.453 0.256 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001263857023 948784419 /nfs/dbraw/zinc/78/44/19/948784419.db2.gz JDJMPWLAPSQVQA-TUVASFSCSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1OCC ZINC001263966257 948819025 /nfs/dbraw/zinc/81/90/25/948819025.db2.gz ALOOGHJQADTOPT-IXDOHACOSA-N 2 1 321.465 0.946 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001328875680 949161552 /nfs/dbraw/zinc/16/15/52/949161552.db2.gz JBWAMAOZEFTRLE-GPANFISMSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001488770621 949165920 /nfs/dbraw/zinc/16/59/20/949165920.db2.gz BXAFBMMHTVTUFJ-SOUVJXGZSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001488982449 949406206 /nfs/dbraw/zinc/40/62/06/949406206.db2.gz WKQHEGKFNHDIPM-JKSUJKDBSA-N 2 1 319.453 0.830 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001330362687 950309491 /nfs/dbraw/zinc/30/94/91/950309491.db2.gz GHHYLRZTZORNII-FPCVCCKLSA-N 2 1 307.438 0.435 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001279116111 950518030 /nfs/dbraw/zinc/51/80/30/950518030.db2.gz YMYZYEAOVXQQKU-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001332665220 951752798 /nfs/dbraw/zinc/75/27/98/951752798.db2.gz QWADRUVDISULNQ-INIZCTEOSA-N 2 1 309.454 0.493 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280707014 951771551 /nfs/dbraw/zinc/77/15/51/951771551.db2.gz FSMRZUBPYMCDJD-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001280707014 951771559 /nfs/dbraw/zinc/77/15/59/951771559.db2.gz FSMRZUBPYMCDJD-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001280707014 951771564 /nfs/dbraw/zinc/77/15/64/951771564.db2.gz FSMRZUBPYMCDJD-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001274924292 951889170 /nfs/dbraw/zinc/88/91/70/951889170.db2.gz PLGXNURGPOYGSV-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001274923674 951889799 /nfs/dbraw/zinc/88/97/99/951889799.db2.gz JQRCJSWUHADIOO-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC#CCOC ZINC001276052857 952876231 /nfs/dbraw/zinc/87/62/31/952876231.db2.gz PDTGVRGVSJWTQH-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC#CCOC ZINC001276052857 952876233 /nfs/dbraw/zinc/87/62/33/952876233.db2.gz PDTGVRGVSJWTQH-INIZCTEOSA-N 2 1 305.422 0.172 20 30 DCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001283191912 954119574 /nfs/dbraw/zinc/11/95/74/954119574.db2.gz MDNIQILUXFZMAM-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001495870334 959203413 /nfs/dbraw/zinc/20/34/13/959203413.db2.gz IVNLWDMNRYZHKC-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001495870334 959203419 /nfs/dbraw/zinc/20/34/19/959203419.db2.gz IVNLWDMNRYZHKC-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001316694687 960117857 /nfs/dbraw/zinc/11/78/57/960117857.db2.gz YDSQTKHPNWSVGG-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316744588 960299449 /nfs/dbraw/zinc/29/94/49/960299449.db2.gz RDERYDCUIYJKEB-HZPDHXFCSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316744588 960299455 /nfs/dbraw/zinc/29/94/55/960299455.db2.gz RDERYDCUIYJKEB-HZPDHXFCSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316744588 960299462 /nfs/dbraw/zinc/29/94/62/960299462.db2.gz RDERYDCUIYJKEB-HZPDHXFCSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379884125 962212022 /nfs/dbraw/zinc/21/20/22/962212022.db2.gz XKXOPMFTGOGMKY-STQMWFEESA-N 2 1 303.834 0.490 20 30 DCEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)[C@H](CC)[NH+](C)C ZINC001379478080 963013222 /nfs/dbraw/zinc/01/32/22/963013222.db2.gz MQRUAIPZHGYFMG-MNOVXSKESA-N 2 1 322.247 0.302 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001369381520 964861838 /nfs/dbraw/zinc/86/18/38/964861838.db2.gz KQQDBMRBMLJRMR-HOTGVXAUSA-N 2 1 316.405 0.077 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394577949 993856583 /nfs/dbraw/zinc/85/65/83/993856583.db2.gz KKTSKZRLBHYMEI-HZPDHXFCSA-N 2 1 316.405 0.219 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394649891 993966081 /nfs/dbraw/zinc/96/60/81/993966081.db2.gz WNMLMEWMNLIKFP-INIZCTEOSA-N 2 1 318.421 0.465 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001502835905 1016096315 /nfs/dbraw/zinc/09/63/15/1016096315.db2.gz DLGGBKKDCPOJSD-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001507380566 1016292962 /nfs/dbraw/zinc/29/29/62/1016292962.db2.gz FZRYDGGVMKPRDM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001507380566 1016292966 /nfs/dbraw/zinc/29/29/66/1016292966.db2.gz FZRYDGGVMKPRDM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001508228519 1016725938 /nfs/dbraw/zinc/72/59/38/1016725938.db2.gz HMBZEVYICFPSLU-MRXNPFEDSA-N 2 1 319.449 0.726 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OCC ZINC001479536386 1017579945 /nfs/dbraw/zinc/57/99/45/1017579945.db2.gz INFDLIFNFXVBGU-QBPKDAKJSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001479547389 1017581415 /nfs/dbraw/zinc/58/14/15/1017581415.db2.gz SMHUQQBUVXSHJE-ARFHVFGLSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001494794327 1018036444 /nfs/dbraw/zinc/03/64/44/1018036444.db2.gz MTASUNNKUAYBPF-UONOGXRCSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001494794327 1018036460 /nfs/dbraw/zinc/03/64/60/1018036460.db2.gz MTASUNNKUAYBPF-UONOGXRCSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494794327 1018036474 /nfs/dbraw/zinc/03/64/74/1018036474.db2.gz MTASUNNKUAYBPF-UONOGXRCSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494794327 1018036497 /nfs/dbraw/zinc/03/64/97/1018036497.db2.gz MTASUNNKUAYBPF-UONOGXRCSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001480088473 1018192040 /nfs/dbraw/zinc/19/20/40/1018192040.db2.gz ZGNGRRSUULBYKK-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001480088473 1018192046 /nfs/dbraw/zinc/19/20/46/1018192046.db2.gz ZGNGRRSUULBYKK-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001480088473 1018192053 /nfs/dbraw/zinc/19/20/53/1018192053.db2.gz ZGNGRRSUULBYKK-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001480088473 1018192059 /nfs/dbraw/zinc/19/20/59/1018192059.db2.gz ZGNGRRSUULBYKK-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001480088231 1018192975 /nfs/dbraw/zinc/19/29/75/1018192975.db2.gz WDEZXQUKRMISBK-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001500282919 1018381147 /nfs/dbraw/zinc/38/11/47/1018381147.db2.gz XURLSCLZSHWGIG-YOEHRIQHSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001500282919 1018381166 /nfs/dbraw/zinc/38/11/66/1018381166.db2.gz XURLSCLZSHWGIG-YOEHRIQHSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001500282919 1018381179 /nfs/dbraw/zinc/38/11/79/1018381179.db2.gz XURLSCLZSHWGIG-YOEHRIQHSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001500282919 1018381193 /nfs/dbraw/zinc/38/11/93/1018381193.db2.gz XURLSCLZSHWGIG-YOEHRIQHSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCOCC)C2)CC1 ZINC001500292288 1018391786 /nfs/dbraw/zinc/39/17/86/1018391786.db2.gz HPHRPAVFYOSGRF-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001480409386 1018505810 /nfs/dbraw/zinc/50/58/10/1018505810.db2.gz IOJQEEWAXWXCCO-UHFFFAOYSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC#C)CC1 ZINC001495521133 1018556012 /nfs/dbraw/zinc/55/60/12/1018556012.db2.gz SHSJUPXCMKYSRQ-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC#C)CC1 ZINC001495521133 1018556024 /nfs/dbraw/zinc/55/60/24/1018556024.db2.gz SHSJUPXCMKYSRQ-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001500689613 1018581928 /nfs/dbraw/zinc/58/19/28/1018581928.db2.gz NEXNXTCOIZXEAK-GOSISDBHSA-N 2 1 321.465 0.992 20 30 DCEDMP C[C@@H](CNCc1ccccc1C#N)NC(=O)[C@@H]1CN(C)CCO1 ZINC001498025443 1018590084 /nfs/dbraw/zinc/59/00/84/1018590084.db2.gz GYTGAZDXWBIRRT-BBRMVZONSA-N 2 1 316.405 0.483 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500763531 1018639914 /nfs/dbraw/zinc/63/99/14/1018639914.db2.gz VKHGTVHDIBTJEG-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001498306484 1018929236 /nfs/dbraw/zinc/92/92/36/1018929236.db2.gz QMDOYOVBTJKNRM-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498306484 1018929244 /nfs/dbraw/zinc/92/92/44/1018929244.db2.gz QMDOYOVBTJKNRM-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001498306484 1018929247 /nfs/dbraw/zinc/92/92/47/1018929247.db2.gz QMDOYOVBTJKNRM-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC#CCOC ZINC001493150943 1019145251 /nfs/dbraw/zinc/14/52/51/1019145251.db2.gz HCNJZARCCSEAGA-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC#CCOC ZINC001493150943 1019145254 /nfs/dbraw/zinc/14/52/54/1019145254.db2.gz HCNJZARCCSEAGA-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC#CCOC ZINC001493150943 1019145258 /nfs/dbraw/zinc/14/52/58/1019145258.db2.gz HCNJZARCCSEAGA-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001496708057 1019558871 /nfs/dbraw/zinc/55/88/71/1019558871.db2.gz UXRGKEVQVBNDMI-UHFFFAOYSA-N 2 1 305.426 0.472 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001496915173 1019758901 /nfs/dbraw/zinc/75/89/01/1019758901.db2.gz XDCIKCJMHQOFRE-HZPDHXFCSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001494100123 1019983183 /nfs/dbraw/zinc/98/31/83/1019983183.db2.gz ZPWXFBYDDUAOIJ-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000261981547 238169971 /nfs/dbraw/zinc/16/99/71/238169971.db2.gz IDOOXJHPNKZLAN-UHFFFAOYSA-N 2 1 314.397 0.118 20 30 DCEDMP N#Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264094736 238189264 /nfs/dbraw/zinc/18/92/64/238189264.db2.gz MCMHXQZHVQUCHF-UHFFFAOYSA-N 2 1 301.394 0.685 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000491251808 533103065 /nfs/dbraw/zinc/10/30/65/533103065.db2.gz CGJBGDSKQNOUBZ-MRXNPFEDSA-N 2 1 323.485 0.124 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000491251808 533103069 /nfs/dbraw/zinc/10/30/69/533103069.db2.gz CGJBGDSKQNOUBZ-MRXNPFEDSA-N 2 1 323.485 0.124 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000491251808 533103074 /nfs/dbraw/zinc/10/30/74/533103074.db2.gz CGJBGDSKQNOUBZ-MRXNPFEDSA-N 2 1 323.485 0.124 20 30 DCEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1F ZINC000264129024 533421593 /nfs/dbraw/zinc/42/15/93/533421593.db2.gz XGUUKFIWBZEXAX-UHFFFAOYSA-N 2 1 324.400 0.961 20 30 DCEDMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)C1 ZINC000592145128 397103646 /nfs/dbraw/zinc/10/36/46/397103646.db2.gz ODSFMTULQDMVQY-LSDHHAIUSA-N 2 1 307.442 0.246 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492884 397193393 /nfs/dbraw/zinc/19/33/93/397193393.db2.gz GIXRWRMGGNLDJC-ZIAGYGMSSA-N 2 1 308.426 0.710 20 30 DCEDMP C[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329513399 416173083 /nfs/dbraw/zinc/17/30/83/416173083.db2.gz LLAWEGQUOZTGAZ-ZDUSSCGKSA-N 2 1 310.442 0.431 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000491396254 416598672 /nfs/dbraw/zinc/59/86/72/416598672.db2.gz XHJBMFVSHXZVMJ-UHFFFAOYSA-N 2 1 324.469 0.476 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC000490615599 416570769 /nfs/dbraw/zinc/57/07/69/416570769.db2.gz GJPZNBQBYXVEPS-UHFFFAOYSA-N 2 1 306.454 0.085 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000491819307 416632279 /nfs/dbraw/zinc/63/22/79/416632279.db2.gz SVCJHLYVHPTRCV-HNNXBMFYSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000491819307 416632284 /nfs/dbraw/zinc/63/22/84/416632284.db2.gz SVCJHLYVHPTRCV-HNNXBMFYSA-N 2 1 310.442 0.088 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000491819307 416632286 /nfs/dbraw/zinc/63/22/86/416632286.db2.gz SVCJHLYVHPTRCV-HNNXBMFYSA-N 2 1 310.442 0.088 20 30 DCEDMP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1CCOC ZINC000565037176 416913446 /nfs/dbraw/zinc/91/34/46/416913446.db2.gz GHZGBHRSJPMTHN-GJZGRUSLSA-N 2 1 310.442 0.967 20 30 DCEDMP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1CCOC ZINC000565037176 416913451 /nfs/dbraw/zinc/91/34/51/416913451.db2.gz GHZGBHRSJPMTHN-GJZGRUSLSA-N 2 1 310.442 0.967 20 30 DCEDMP C[C@@]12COC[C@H]1C[NH+](CC#CC[N@@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702900 418357022 /nfs/dbraw/zinc/35/70/22/418357022.db2.gz IJBPAPKIXQSATJ-USTZCAOPSA-N 2 1 304.434 0.926 20 30 DCEDMP C[C@@]12COC[C@H]1C[N@@H+](CC#CC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702900 418357026 /nfs/dbraw/zinc/35/70/26/418357026.db2.gz IJBPAPKIXQSATJ-USTZCAOPSA-N 2 1 304.434 0.926 20 30 DCEDMP C[C@@]12COC[C@H]1C[N@H+](CC#CC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702900 418357029 /nfs/dbraw/zinc/35/70/29/418357029.db2.gz IJBPAPKIXQSATJ-USTZCAOPSA-N 2 1 304.434 0.926 20 30 DCEDMP CC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264066225 276556376 /nfs/dbraw/zinc/55/63/76/276556376.db2.gz FFIUNVLRXKCZGL-AWEZNQCLSA-N 2 1 319.457 0.692 20 30 DCEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000329782252 279240959 /nfs/dbraw/zinc/24/09/59/279240959.db2.gz UCAPVJPQRIZJCT-QLFBSQMISA-N 2 1 312.458 0.941 20 30 DCEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000329782252 279240960 /nfs/dbraw/zinc/24/09/60/279240960.db2.gz UCAPVJPQRIZJCT-QLFBSQMISA-N 2 1 312.458 0.941 20 30 DCEDMP COc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccn1 ZINC000264141419 533712186 /nfs/dbraw/zinc/71/21/86/533712186.db2.gz WPHUHAMGRHCUNS-UHFFFAOYSA-N 2 1 307.398 0.217 20 30 DCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330175554 336120875 /nfs/dbraw/zinc/12/08/75/336120875.db2.gz JEJNORYNKATOMG-BZUAXINKSA-N 2 1 324.469 0.962 20 30 DCEDMP CC(C)C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424141105 337761980 /nfs/dbraw/zinc/76/19/80/337761980.db2.gz WTZFTNKZVZGCEU-CABCVRRESA-N 2 1 310.442 0.871 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000172584871 341801424 /nfs/dbraw/zinc/80/14/24/341801424.db2.gz RFSIBVLHFKEYQH-HNNXBMFYSA-N 2 1 324.469 0.904 20 30 DCEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1cccn1C ZINC000261948686 526377275 /nfs/dbraw/zinc/37/72/75/526377275.db2.gz GQPYELZTTSYODI-HNNXBMFYSA-N 2 1 306.458 0.278 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000364334945 526435681 /nfs/dbraw/zinc/43/56/81/526435681.db2.gz DHARWPLTODEBRV-HOTGVXAUSA-N 2 1 322.453 0.799 20 30 DCEDMP CC1CC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329388151 546047448 /nfs/dbraw/zinc/04/74/48/546047448.db2.gz TXUBAKQBBKEHOK-OAHLLOKOSA-N 2 1 311.474 0.468 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000329383019 546048016 /nfs/dbraw/zinc/04/80/16/546048016.db2.gz OSXFSAOORRHQKM-AWEZNQCLSA-N 2 1 324.469 0.773 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643928 660579521 /nfs/dbraw/zinc/57/95/21/660579521.db2.gz YTTSJHJKJFHMIN-WCXIOVBPSA-N 2 1 321.465 0.966 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643928 660579522 /nfs/dbraw/zinc/57/95/22/660579522.db2.gz YTTSJHJKJFHMIN-WCXIOVBPSA-N 2 1 321.465 0.966 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643928 660579523 /nfs/dbraw/zinc/57/95/23/660579523.db2.gz YTTSJHJKJFHMIN-WCXIOVBPSA-N 2 1 321.465 0.966 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979070882 660657517 /nfs/dbraw/zinc/65/75/17/660657517.db2.gz IXDUEXWKEMHNCN-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979070882 660657519 /nfs/dbraw/zinc/65/75/19/660657519.db2.gz IXDUEXWKEMHNCN-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979070882 660657520 /nfs/dbraw/zinc/65/75/20/660657520.db2.gz IXDUEXWKEMHNCN-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979070882 660657522 /nfs/dbraw/zinc/65/75/22/660657522.db2.gz IXDUEXWKEMHNCN-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037512 661094307 /nfs/dbraw/zinc/09/43/07/661094307.db2.gz ZITVLYAGHIPDKI-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037512 661094308 /nfs/dbraw/zinc/09/43/08/661094308.db2.gz ZITVLYAGHIPDKI-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037512 661094311 /nfs/dbraw/zinc/09/43/11/661094311.db2.gz ZITVLYAGHIPDKI-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[N@@H+]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000981186152 661097174 /nfs/dbraw/zinc/09/71/74/661097174.db2.gz MGAOSNBCVALVAD-UHFFFAOYSA-N 2 1 317.437 0.616 20 30 DCEDMP CC#CC[N@H+]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000981186152 661097176 /nfs/dbraw/zinc/09/71/76/661097176.db2.gz MGAOSNBCVALVAD-UHFFFAOYSA-N 2 1 317.437 0.616 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC000949114602 661250827 /nfs/dbraw/zinc/25/08/27/661250827.db2.gz DLXJRCIPKODFKC-UHFFFAOYSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028194994 661270210 /nfs/dbraw/zinc/27/02/10/661270210.db2.gz IGASIUVEBGDMKN-MRXNPFEDSA-N 2 1 317.437 0.662 20 30 DCEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551991 657761631 /nfs/dbraw/zinc/76/16/31/657761631.db2.gz JIAGSEZMXQHDLY-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCCN1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552649 657764593 /nfs/dbraw/zinc/76/45/93/657764593.db2.gz QQPRDBGIQAFGBR-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552649 657764601 /nfs/dbraw/zinc/76/46/01/657764601.db2.gz QQPRDBGIQAFGBR-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552649 657764608 /nfs/dbraw/zinc/76/46/08/657764608.db2.gz QQPRDBGIQAFGBR-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972552649 657764619 /nfs/dbraw/zinc/76/46/19/657764619.db2.gz QQPRDBGIQAFGBR-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001023447078 657874908 /nfs/dbraw/zinc/87/49/08/657874908.db2.gz FIXMBKOBORANOX-GJZGRUSLSA-N 2 1 300.406 0.907 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023450123 657880868 /nfs/dbraw/zinc/88/08/68/657880868.db2.gz FDLQHNPMKYBKJG-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023450123 657880874 /nfs/dbraw/zinc/88/08/74/657880874.db2.gz FDLQHNPMKYBKJG-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450123 657880881 /nfs/dbraw/zinc/88/08/81/657880881.db2.gz FDLQHNPMKYBKJG-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450123 657880891 /nfs/dbraw/zinc/88/08/91/657880891.db2.gz FDLQHNPMKYBKJG-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972637802 658138337 /nfs/dbraw/zinc/13/83/37/658138337.db2.gz DZOICUMYIUUUAC-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972637802 658138343 /nfs/dbraw/zinc/13/83/43/658138343.db2.gz DZOICUMYIUUUAC-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972637802 658138348 /nfs/dbraw/zinc/13/83/48/658138348.db2.gz DZOICUMYIUUUAC-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972637802 658138352 /nfs/dbraw/zinc/13/83/52/658138352.db2.gz DZOICUMYIUUUAC-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972673926 658223718 /nfs/dbraw/zinc/22/37/18/658223718.db2.gz MCOPTAXXQQDRAK-RDJZCZTQSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001021904676 658638871 /nfs/dbraw/zinc/63/88/71/658638871.db2.gz BPHLZGKCHJWRRH-XGUBFFRZSA-N 2 1 320.437 0.104 20 30 DCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999350741 665634145 /nfs/dbraw/zinc/63/41/45/665634145.db2.gz ATWYBLJOXMIEOI-LSDHHAIUSA-N 2 1 303.410 0.027 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536494 665789225 /nfs/dbraw/zinc/78/92/25/665789225.db2.gz NIOUDSICTASXEC-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536494 665789228 /nfs/dbraw/zinc/78/92/28/665789228.db2.gz NIOUDSICTASXEC-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536494 665789230 /nfs/dbraw/zinc/78/92/30/665789230.db2.gz NIOUDSICTASXEC-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536494 665789233 /nfs/dbraw/zinc/78/92/33/665789233.db2.gz NIOUDSICTASXEC-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536494 665789234 /nfs/dbraw/zinc/78/92/34/665789234.db2.gz NIOUDSICTASXEC-BBWFWOEESA-N 2 1 319.449 0.511 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536722 665790540 /nfs/dbraw/zinc/79/05/40/665790540.db2.gz VUEYKLLTCQVLLS-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536722 665790541 /nfs/dbraw/zinc/79/05/41/665790541.db2.gz VUEYKLLTCQVLLS-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536722 665790542 /nfs/dbraw/zinc/79/05/42/665790542.db2.gz VUEYKLLTCQVLLS-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536722 665790543 /nfs/dbraw/zinc/79/05/43/665790543.db2.gz VUEYKLLTCQVLLS-XHSDSOJGSA-N 2 1 307.438 0.673 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758248 661808948 /nfs/dbraw/zinc/80/89/48/661808948.db2.gz PLSHYZIGYUQFOI-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028758248 661808950 /nfs/dbraw/zinc/80/89/50/661808950.db2.gz PLSHYZIGYUQFOI-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC001029596547 662423582 /nfs/dbraw/zinc/42/35/82/662423582.db2.gz PJEFAVAKQLRADX-CALCHBBNSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000985789031 662513314 /nfs/dbraw/zinc/51/33/14/662513314.db2.gz GQGJUJQJJVQXIV-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031931179 665940183 /nfs/dbraw/zinc/94/01/83/665940183.db2.gz GDMDGLOSPWAJPF-OAHLLOKOSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941230751 665946140 /nfs/dbraw/zinc/94/61/40/665946140.db2.gz JYYNPUZUSIILAB-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941230751 665946144 /nfs/dbraw/zinc/94/61/44/665946144.db2.gz JYYNPUZUSIILAB-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230751 665946146 /nfs/dbraw/zinc/94/61/46/665946146.db2.gz JYYNPUZUSIILAB-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230751 665946148 /nfs/dbraw/zinc/94/61/48/665946148.db2.gz JYYNPUZUSIILAB-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941229494 665950858 /nfs/dbraw/zinc/95/08/58/665950858.db2.gz AWWKNVCJLOBYQV-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941229494 665950859 /nfs/dbraw/zinc/95/08/59/665950859.db2.gz AWWKNVCJLOBYQV-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229494 665950862 /nfs/dbraw/zinc/95/08/62/665950862.db2.gz AWWKNVCJLOBYQV-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229494 665950864 /nfs/dbraw/zinc/95/08/64/665950864.db2.gz AWWKNVCJLOBYQV-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912583781 664188798 /nfs/dbraw/zinc/18/87/98/664188798.db2.gz FPZKHJLHWCNTJG-INIZCTEOSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912583781 664188801 /nfs/dbraw/zinc/18/88/01/664188801.db2.gz FPZKHJLHWCNTJG-INIZCTEOSA-N 2 1 321.465 0.683 20 30 DCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705536 664641516 /nfs/dbraw/zinc/64/15/16/664641516.db2.gz CYEQUQKFARQKKF-GULBITTBSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705536 664641517 /nfs/dbraw/zinc/64/15/17/664641517.db2.gz CYEQUQKFARQKKF-GULBITTBSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992488882 664726532 /nfs/dbraw/zinc/72/65/32/664726532.db2.gz BKIORTAMOCNQQH-ZMSDIMECSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992488882 664726533 /nfs/dbraw/zinc/72/65/33/664726533.db2.gz BKIORTAMOCNQQH-ZMSDIMECSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992488882 664726534 /nfs/dbraw/zinc/72/65/34/664726534.db2.gz BKIORTAMOCNQQH-ZMSDIMECSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992488882 664726535 /nfs/dbraw/zinc/72/65/35/664726535.db2.gz BKIORTAMOCNQQH-ZMSDIMECSA-N 2 1 305.422 0.454 20 30 DCEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529321 665311397 /nfs/dbraw/zinc/31/13/97/665311397.db2.gz BSCCHANVTHQBLW-AUUXXJPVSA-N 2 1 303.406 0.321 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529321 665311400 /nfs/dbraw/zinc/31/14/00/665311400.db2.gz BSCCHANVTHQBLW-AUUXXJPVSA-N 2 1 303.406 0.321 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529321 665311401 /nfs/dbraw/zinc/31/14/01/665311401.db2.gz BSCCHANVTHQBLW-AUUXXJPVSA-N 2 1 303.406 0.321 20 30 DCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032529321 665311404 /nfs/dbraw/zinc/31/14/04/665311404.db2.gz BSCCHANVTHQBLW-AUUXXJPVSA-N 2 1 303.406 0.321 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](C)OC)CC1 ZINC001001490827 666060816 /nfs/dbraw/zinc/06/08/16/666060816.db2.gz DWDPXGMSQGOVEM-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](C)OC)CC1 ZINC001001490827 666060817 /nfs/dbraw/zinc/06/08/17/666060817.db2.gz DWDPXGMSQGOVEM-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)COC)CC1 ZINC001003056880 666267229 /nfs/dbraw/zinc/26/72/29/666267229.db2.gz VNXVCZMMNBXEEM-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)COC)CC1 ZINC001003056880 666267231 /nfs/dbraw/zinc/26/72/31/666267231.db2.gz VNXVCZMMNBXEEM-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033142089 666559543 /nfs/dbraw/zinc/55/95/43/666559543.db2.gz PYKGXVNQXQSILU-IAGOWNOFSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033142089 666559544 /nfs/dbraw/zinc/55/95/44/666559544.db2.gz PYKGXVNQXQSILU-IAGOWNOFSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033142089 666559545 /nfs/dbraw/zinc/55/95/45/666559545.db2.gz PYKGXVNQXQSILU-IAGOWNOFSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033142089 666559547 /nfs/dbraw/zinc/55/95/47/666559547.db2.gz PYKGXVNQXQSILU-IAGOWNOFSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033142089 666559549 /nfs/dbraw/zinc/55/95/49/666559549.db2.gz PYKGXVNQXQSILU-IAGOWNOFSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001033357576 666691280 /nfs/dbraw/zinc/69/12/80/666691280.db2.gz IFSGURWQBSVJMS-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357576 666691281 /nfs/dbraw/zinc/69/12/81/666691281.db2.gz IFSGURWQBSVJMS-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357576 666691283 /nfs/dbraw/zinc/69/12/83/666691283.db2.gz IFSGURWQBSVJMS-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357576 666691285 /nfs/dbraw/zinc/69/12/85/666691285.db2.gz IFSGURWQBSVJMS-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357576 666691286 /nfs/dbraw/zinc/69/12/86/666691286.db2.gz IFSGURWQBSVJMS-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995895024 666717499 /nfs/dbraw/zinc/71/74/99/666717499.db2.gz LNONQEAGAXILGD-HUUCEWRRSA-N 2 1 317.437 0.273 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001033688976 666796861 /nfs/dbraw/zinc/79/68/61/666796861.db2.gz WBMCXEKDBWPKNR-DOTOQJQBSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000996998774 667064968 /nfs/dbraw/zinc/06/49/68/667064968.db2.gz LPOHWRUUBDGQJB-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000996998774 667064970 /nfs/dbraw/zinc/06/49/70/667064970.db2.gz LPOHWRUUBDGQJB-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001034654048 667091454 /nfs/dbraw/zinc/09/14/54/667091454.db2.gz WOLLSELWLHKNEH-YHUYYLMFSA-N 2 1 305.422 0.500 20 30 DCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCOCC1 ZINC000863550884 667156811 /nfs/dbraw/zinc/15/68/11/667156811.db2.gz DSCQABQIIGHTBZ-JYJNAYRXSA-N 2 1 323.437 0.511 20 30 DCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CCOCC1 ZINC000863550884 667156812 /nfs/dbraw/zinc/15/68/12/667156812.db2.gz DSCQABQIIGHTBZ-JYJNAYRXSA-N 2 1 323.437 0.511 20 30 DCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997270843 667229238 /nfs/dbraw/zinc/22/92/38/667229238.db2.gz AAASSDPNWCWBEO-WBVHZDCISA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997270843 667229240 /nfs/dbraw/zinc/22/92/40/667229240.db2.gz AAASSDPNWCWBEO-WBVHZDCISA-N 2 1 321.465 0.946 20 30 DCEDMP N#Cc1ccccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000866712014 667389885 /nfs/dbraw/zinc/38/98/85/667389885.db2.gz PSSOXLKJJDFTDB-OWCLPIDISA-N 2 1 312.373 0.925 20 30 DCEDMP N#Cc1ccccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000866712014 667389886 /nfs/dbraw/zinc/38/98/86/667389886.db2.gz PSSOXLKJJDFTDB-OWCLPIDISA-N 2 1 312.373 0.925 20 30 DCEDMP CC[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772985500 668790641 /nfs/dbraw/zinc/79/06/41/668790641.db2.gz SFNAWNZKCSFNJW-MMEFHMBZSA-N 2 1 306.410 0.833 20 30 DCEDMP CC[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772985492 668790712 /nfs/dbraw/zinc/79/07/12/668790712.db2.gz SFNAWNZKCSFNJW-CRQJOFGKSA-N 2 1 306.410 0.833 20 30 DCEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484478 669211241 /nfs/dbraw/zinc/21/12/41/669211241.db2.gz TWVFSOQBIQDTTN-AWEZNQCLSA-N 2 1 310.442 0.383 20 30 DCEDMP CN(CCO)c1ccc(C=[NH+]NCCC[NH+]2CCOCC2)cc1 ZINC000799492026 670061721 /nfs/dbraw/zinc/06/17/21/670061721.db2.gz PGJHMZXTMAEMDY-UHFFFAOYSA-N 2 1 320.437 0.761 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799743716 670071038 /nfs/dbraw/zinc/07/10/38/670071038.db2.gz OPMIRLMSSAHHQA-HNNXBMFYSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000799743716 670071041 /nfs/dbraw/zinc/07/10/41/670071041.db2.gz OPMIRLMSSAHHQA-HNNXBMFYSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000799743716 670071043 /nfs/dbraw/zinc/07/10/43/670071043.db2.gz OPMIRLMSSAHHQA-HNNXBMFYSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000799743716 670071045 /nfs/dbraw/zinc/07/10/45/670071045.db2.gz OPMIRLMSSAHHQA-HNNXBMFYSA-N 2 1 306.454 0.226 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842492 670214461 /nfs/dbraw/zinc/21/44/61/670214461.db2.gz QBZUPBODKWADKL-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842492 670214463 /nfs/dbraw/zinc/21/44/63/670214463.db2.gz QBZUPBODKWADKL-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000854003272 670514529 /nfs/dbraw/zinc/51/45/29/670514529.db2.gz GYTNLROSUTTXEZ-JYJNAYRXSA-N 2 1 324.469 0.738 20 30 DCEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000854003272 670514534 /nfs/dbraw/zinc/51/45/34/670514534.db2.gz GYTNLROSUTTXEZ-JYJNAYRXSA-N 2 1 324.469 0.738 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847377313 670545135 /nfs/dbraw/zinc/54/51/35/670545135.db2.gz WPXWVOQAZVQXDX-HRCADAONSA-N 2 1 324.469 0.738 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847377313 670545136 /nfs/dbraw/zinc/54/51/36/670545136.db2.gz WPXWVOQAZVQXDX-HRCADAONSA-N 2 1 324.469 0.738 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847377313 670545137 /nfs/dbraw/zinc/54/51/37/670545137.db2.gz WPXWVOQAZVQXDX-HRCADAONSA-N 2 1 324.469 0.738 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847377313 670545140 /nfs/dbraw/zinc/54/51/40/670545140.db2.gz WPXWVOQAZVQXDX-HRCADAONSA-N 2 1 324.469 0.738 20 30 DCEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996260 670746950 /nfs/dbraw/zinc/74/69/50/670746950.db2.gz NICDQZOQLYZMOP-OAHLLOKOSA-N 2 1 311.474 0.214 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254712 670798547 /nfs/dbraw/zinc/79/85/47/670798547.db2.gz YKPCIWAAQNFFPH-HOTGVXAUSA-N 2 1 305.422 0.142 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856254712 670798550 /nfs/dbraw/zinc/79/85/50/670798550.db2.gz YKPCIWAAQNFFPH-HOTGVXAUSA-N 2 1 305.422 0.142 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000856254712 670798551 /nfs/dbraw/zinc/79/85/51/670798551.db2.gz YKPCIWAAQNFFPH-HOTGVXAUSA-N 2 1 305.422 0.142 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000856254712 670798553 /nfs/dbraw/zinc/79/85/53/670798553.db2.gz YKPCIWAAQNFFPH-HOTGVXAUSA-N 2 1 305.422 0.142 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000852827685 671168528 /nfs/dbraw/zinc/16/85/28/671168528.db2.gz NIMCUIPPTFCLDA-ZHAHWJHGSA-N 2 1 323.194 0.677 20 30 DCEDMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)C1 ZINC000852873447 671182752 /nfs/dbraw/zinc/18/27/52/671182752.db2.gz VPSXOKQEZIZOLA-KRWDZBQOSA-N 2 1 318.465 0.228 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000303876871 685207411 /nfs/dbraw/zinc/20/74/11/685207411.db2.gz FBWSKWUXIIBXBE-HZPDHXFCSA-N 3 1 324.517 0.401 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958170937 687402886 /nfs/dbraw/zinc/40/28/86/687402886.db2.gz CLVSJNPGJBVYQL-CVEARBPZSA-N 2 1 321.465 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958215595 687447312 /nfs/dbraw/zinc/44/73/12/687447312.db2.gz XFOMJZVHJUKHFF-HZPDHXFCSA-N 2 1 321.465 0.990 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958345748 687567244 /nfs/dbraw/zinc/56/72/44/687567244.db2.gz RHIJWFKEVUTRGP-LSDHHAIUSA-N 2 1 321.421 0.940 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360105 690668928 /nfs/dbraw/zinc/66/89/28/690668928.db2.gz LANOMDLLFSDYFZ-AWEZNQCLSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001009631457 691078348 /nfs/dbraw/zinc/07/83/48/691078348.db2.gz YRIWZFDOEYUMNE-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015325207 692264703 /nfs/dbraw/zinc/26/47/03/692264703.db2.gz RECNPPILDAQFMV-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015325207 692264705 /nfs/dbraw/zinc/26/47/05/692264705.db2.gz RECNPPILDAQFMV-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015325207 692264708 /nfs/dbraw/zinc/26/47/08/692264708.db2.gz RECNPPILDAQFMV-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015325207 692264710 /nfs/dbraw/zinc/26/47/10/692264710.db2.gz RECNPPILDAQFMV-KRIMKBQASA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016554202 692719142 /nfs/dbraw/zinc/71/91/42/692719142.db2.gz XMBLUZQMLYKFQO-CABCVRRESA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016554202 692719144 /nfs/dbraw/zinc/71/91/44/692719144.db2.gz XMBLUZQMLYKFQO-CABCVRRESA-N 2 1 305.422 0.311 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760773 694661098 /nfs/dbraw/zinc/66/10/98/694661098.db2.gz NEZXMJKSGFIZRM-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760773 694661099 /nfs/dbraw/zinc/66/10/99/694661099.db2.gz NEZXMJKSGFIZRM-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760773 694661100 /nfs/dbraw/zinc/66/11/00/694661100.db2.gz NEZXMJKSGFIZRM-JKSUJKDBSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001073627096 694755021 /nfs/dbraw/zinc/75/50/21/694755021.db2.gz CFFUQOASVXVXQW-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627096 694755022 /nfs/dbraw/zinc/75/50/22/694755022.db2.gz CFFUQOASVXVXQW-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627096 694755023 /nfs/dbraw/zinc/75/50/23/694755023.db2.gz CFFUQOASVXVXQW-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627096 694755025 /nfs/dbraw/zinc/75/50/25/694755025.db2.gz CFFUQOASVXVXQW-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001073631904 694756221 /nfs/dbraw/zinc/75/62/21/694756221.db2.gz VSEFLHMQNLBJBC-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073631904 694756222 /nfs/dbraw/zinc/75/62/22/694756222.db2.gz VSEFLHMQNLBJBC-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073631904 694756223 /nfs/dbraw/zinc/75/62/23/694756223.db2.gz VSEFLHMQNLBJBC-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073631904 694756225 /nfs/dbraw/zinc/75/62/25/694756225.db2.gz VSEFLHMQNLBJBC-SJORKVTESA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576607 695029296 /nfs/dbraw/zinc/02/92/96/695029296.db2.gz SGIFNMMFIWFDJG-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576607 695029297 /nfs/dbraw/zinc/02/92/97/695029297.db2.gz SGIFNMMFIWFDJG-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC001076604432 695032273 /nfs/dbraw/zinc/03/22/73/695032273.db2.gz FHXZZHWXNLXORH-BHYGNILZSA-N 2 1 319.449 0.245 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001570415585 1162509462 /nfs/dbraw/zinc/50/94/62/1162509462.db2.gz ZFLLEQDBABUNKR-UHFFFAOYSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001571460402 1162768839 /nfs/dbraw/zinc/76/88/39/1162768839.db2.gz VIYVUVDVSQYNKC-LSDHHAIUSA-N 2 1 306.410 0.973 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001571605176 1162854123 /nfs/dbraw/zinc/85/41/23/1162854123.db2.gz NPFFWPOUMCPMEZ-HOCLYGCPSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001571605176 1162854130 /nfs/dbraw/zinc/85/41/30/1162854130.db2.gz NPFFWPOUMCPMEZ-HOCLYGCPSA-N 2 1 318.421 0.138 20 30 DCEDMP CCN(CC#CCOC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001691019955 1157402574 /nfs/dbraw/zinc/40/25/74/1157402574.db2.gz LZBMPHXORVWTET-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001691019955 1157402578 /nfs/dbraw/zinc/40/25/78/1157402578.db2.gz LZBMPHXORVWTET-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001691019955 1157402582 /nfs/dbraw/zinc/40/25/82/1157402582.db2.gz LZBMPHXORVWTET-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001691019955 1157402587 /nfs/dbraw/zinc/40/25/87/1157402587.db2.gz LZBMPHXORVWTET-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001691019955 1157402590 /nfs/dbraw/zinc/40/25/90/1157402590.db2.gz LZBMPHXORVWTET-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001672004041 1157405517 /nfs/dbraw/zinc/40/55/17/1157405517.db2.gz RLHFBZKMDNYWOH-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001672004041 1157405521 /nfs/dbraw/zinc/40/55/21/1157405521.db2.gz RLHFBZKMDNYWOH-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001672004041 1157405526 /nfs/dbraw/zinc/40/55/26/1157405526.db2.gz RLHFBZKMDNYWOH-WBVHZDCISA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001691535454 1158316752 /nfs/dbraw/zinc/31/67/52/1158316752.db2.gz FNEQBXWPZBMQCA-HNNXBMFYSA-N 2 1 307.438 0.554 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001755895916 1158323890 /nfs/dbraw/zinc/32/38/90/1158323890.db2.gz ABFFKWBYVANMDV-UHFFFAOYSA-N 2 1 317.433 0.480 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001566839322 1160165219 /nfs/dbraw/zinc/16/52/19/1160165219.db2.gz VHSBMHWNRNTASA-ARILJUKYSA-N 2 1 322.453 0.254 20 30 DCEDMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001566879251 1160175930 /nfs/dbraw/zinc/17/59/30/1160175930.db2.gz IPKRTQZYUDNJAO-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001566953260 1160192631 /nfs/dbraw/zinc/19/26/31/1160192631.db2.gz VXSYFLVILSEPHV-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001567137520 1160252983 /nfs/dbraw/zinc/25/29/83/1160252983.db2.gz OTOHEFONVGBEPO-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001567137519 1160253638 /nfs/dbraw/zinc/25/36/38/1160253638.db2.gz OTOHEFONVGBEPO-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C[C@H](C)OC)C1CC1 ZINC001567443388 1160367455 /nfs/dbraw/zinc/36/74/55/1160367455.db2.gz YJIAWSQHOHOSHY-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C[C@H](C)OC)C1CC1 ZINC001567443388 1160367462 /nfs/dbraw/zinc/36/74/62/1160367462.db2.gz YJIAWSQHOHOSHY-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C[C@H](C)OC)C1CC1 ZINC001567443388 1160367468 /nfs/dbraw/zinc/36/74/68/1160367468.db2.gz YJIAWSQHOHOSHY-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C[C@H](C)OC)C1CC1 ZINC001567443388 1160367475 /nfs/dbraw/zinc/36/74/75/1160367475.db2.gz YJIAWSQHOHOSHY-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001567838841 1160497503 /nfs/dbraw/zinc/49/75/03/1160497503.db2.gz OPNPGFIFCVOWPP-HOCLYGCPSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001567838841 1160497506 /nfs/dbraw/zinc/49/75/06/1160497506.db2.gz OPNPGFIFCVOWPP-HOCLYGCPSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567875850 1160513236 /nfs/dbraw/zinc/51/32/36/1160513236.db2.gz ZGINHAFNCRQPST-HZSPNIEDSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567875850 1160513240 /nfs/dbraw/zinc/51/32/40/1160513240.db2.gz ZGINHAFNCRQPST-HZSPNIEDSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920640 1160536041 /nfs/dbraw/zinc/53/60/41/1160536041.db2.gz IVMOEWPWCFIMMN-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920640 1160536047 /nfs/dbraw/zinc/53/60/47/1160536047.db2.gz IVMOEWPWCFIMMN-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001569074346 1160935123 /nfs/dbraw/zinc/93/51/23/1160935123.db2.gz RIPJSSCGJCREEV-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569759057 1161229097 /nfs/dbraw/zinc/22/90/97/1161229097.db2.gz GQVNNVQLCHRVID-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001569886450 1161295362 /nfs/dbraw/zinc/29/53/62/1161295362.db2.gz BANJDZJMOQUMMN-OAHLLOKOSA-N 2 1 307.442 0.164 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001570167248 1161467129 /nfs/dbraw/zinc/46/71/29/1161467129.db2.gz LUWZJENKKISGGB-MRXNPFEDSA-N 2 1 321.469 0.460 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001570167248 1161467133 /nfs/dbraw/zinc/46/71/33/1161467133.db2.gz LUWZJENKKISGGB-MRXNPFEDSA-N 2 1 321.469 0.460 20 30 DCEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001570167365 1161469830 /nfs/dbraw/zinc/46/98/30/1161469830.db2.gz OFGGJNKWOQGFQS-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001570306161 1161556947 /nfs/dbraw/zinc/55/69/47/1161556947.db2.gz WWFBJGLXOBYADU-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001570356476 1161578869 /nfs/dbraw/zinc/57/88/69/1161578869.db2.gz GJECCAVMEVAXPW-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC001574674247 1163740872 /nfs/dbraw/zinc/74/08/72/1163740872.db2.gz XCSADYFKWZCPSK-HNNXBMFYSA-N 2 1 304.438 0.869 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC001574674247 1163740877 /nfs/dbraw/zinc/74/08/77/1163740877.db2.gz XCSADYFKWZCPSK-HNNXBMFYSA-N 2 1 304.438 0.869 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC001574937514 1163807263 /nfs/dbraw/zinc/80/72/63/1163807263.db2.gz YSURLVHFRRTZTL-ZIAGYGMSSA-N 2 1 304.398 0.161 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC001574937514 1163807267 /nfs/dbraw/zinc/80/72/67/1163807267.db2.gz YSURLVHFRRTZTL-ZIAGYGMSSA-N 2 1 304.398 0.161 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001649450388 1173136657 /nfs/dbraw/zinc/13/66/57/1173136657.db2.gz NSUANLIHASAFPO-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1OCC ZINC001656471430 1173865403 /nfs/dbraw/zinc/86/54/03/1173865403.db2.gz QTKAJFJLQYHOAZ-YYIAUSFCSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001656639156 1173870852 /nfs/dbraw/zinc/87/08/52/1173870852.db2.gz CLTKAAYUGZCFCH-CYBMUJFWSA-N 2 1 319.409 0.558 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001656784479 1173884602 /nfs/dbraw/zinc/88/46/02/1173884602.db2.gz RPKKWIXASNADJS-QGZVFWFLSA-N 2 1 321.465 0.781 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001661482359 1174130384 /nfs/dbraw/zinc/13/03/84/1174130384.db2.gz JRXBHTNIAUUZGN-QBPKDAKJSA-N 2 1 319.449 0.890 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001665730252 1174556904 /nfs/dbraw/zinc/55/69/04/1174556904.db2.gz AZQLWQSBCTVMRY-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001665730252 1174556910 /nfs/dbraw/zinc/55/69/10/1174556910.db2.gz AZQLWQSBCTVMRY-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001666913912 1174646619 /nfs/dbraw/zinc/64/66/19/1174646619.db2.gz LVBUBOOQRASSBT-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001666921932 1174647789 /nfs/dbraw/zinc/64/77/89/1174647789.db2.gz VDMCDQWGOSLVIU-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001667701582 1174702686 /nfs/dbraw/zinc/70/26/86/1174702686.db2.gz NJIPOLSHTBCODR-IRXDYDNUSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001667701582 1174702691 /nfs/dbraw/zinc/70/26/91/1174702691.db2.gz NJIPOLSHTBCODR-IRXDYDNUSA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001667701582 1174702701 /nfs/dbraw/zinc/70/27/01/1174702701.db2.gz NJIPOLSHTBCODR-IRXDYDNUSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NCCC ZINC001669584237 1174936853 /nfs/dbraw/zinc/93/68/53/1174936853.db2.gz MDEXYIFZKQJIMM-ZNMIVQPWSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NCCC ZINC001669584237 1174936857 /nfs/dbraw/zinc/93/68/57/1174936857.db2.gz MDEXYIFZKQJIMM-ZNMIVQPWSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@H]1CCOC1 ZINC001670127669 1174984093 /nfs/dbraw/zinc/98/40/93/1174984093.db2.gz KHDKLODMUUCWMB-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@H]1CCOC1 ZINC001670127669 1174984095 /nfs/dbraw/zinc/98/40/95/1174984095.db2.gz KHDKLODMUUCWMB-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001672043982 1175069371 /nfs/dbraw/zinc/06/93/71/1175069371.db2.gz DZRRZMVSKCUICQ-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001672247975 1175093137 /nfs/dbraw/zinc/09/31/37/1175093137.db2.gz ZSDXQIQDEWGIBI-ZBFHGGJFSA-N 2 1 318.421 0.668 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@H]2C1 ZINC001672438946 1175107659 /nfs/dbraw/zinc/10/76/59/1175107659.db2.gz NWZMSFPIHJAHPX-CALCHBBNSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@H]2C1 ZINC001672438946 1175107665 /nfs/dbraw/zinc/10/76/65/1175107665.db2.gz NWZMSFPIHJAHPX-CALCHBBNSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001673739999 1175229873 /nfs/dbraw/zinc/22/98/73/1175229873.db2.gz NUMARMRGWHVDBG-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001674107180 1175254733 /nfs/dbraw/zinc/25/47/33/1175254733.db2.gz HOXKFFHXRCFFPI-KRWDZBQOSA-N 2 1 321.465 0.992 20 30 DCEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001674324390 1175270931 /nfs/dbraw/zinc/27/09/31/1175270931.db2.gz KXUBQCXAOBFQET-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001675522812 1175368163 /nfs/dbraw/zinc/36/81/63/1175368163.db2.gz SJQOGADOPVHAAT-PHZGNYQRSA-N 2 1 321.465 0.967 20 30 DCEDMP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001676571409 1175462096 /nfs/dbraw/zinc/46/20/96/1175462096.db2.gz CFTAWNLHNRZQRF-LSDHHAIUSA-N 2 1 320.437 0.787 20 30 DCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001676584214 1175463080 /nfs/dbraw/zinc/46/30/80/1175463080.db2.gz QZWPLKLBEIOKHM-CJNGLKHVSA-N 2 1 315.433 0.842 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001676895123 1175499711 /nfs/dbraw/zinc/49/97/11/1175499711.db2.gz WAHWIZKJKYAIKS-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001676895123 1175499715 /nfs/dbraw/zinc/49/97/15/1175499715.db2.gz WAHWIZKJKYAIKS-CVEARBPZSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001676959275 1175507703 /nfs/dbraw/zinc/50/77/03/1175507703.db2.gz UEUJSGXNEFEMDY-JKSUJKDBSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001677138132 1175533534 /nfs/dbraw/zinc/53/35/34/1175533534.db2.gz KVEANKDAPKWMRN-SJORKVTESA-N 2 1 317.433 0.722 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001677168572 1175543047 /nfs/dbraw/zinc/54/30/47/1175543047.db2.gz HVHMLQCVKJOZLA-ZBFHGGJFSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001677168572 1175543048 /nfs/dbraw/zinc/54/30/48/1175543048.db2.gz HVHMLQCVKJOZLA-ZBFHGGJFSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001689110947 1176696198 /nfs/dbraw/zinc/69/61/98/1176696198.db2.gz UMRPBPRSQRMBFN-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001690073057 1177161456 /nfs/dbraw/zinc/16/14/56/1177161456.db2.gz DNOSPWDTAPNYDH-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001690073057 1177161460 /nfs/dbraw/zinc/16/14/60/1177161460.db2.gz DNOSPWDTAPNYDH-QGZVFWFLSA-N 2 1 320.481 0.618 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001690078254 1177164589 /nfs/dbraw/zinc/16/45/89/1177164589.db2.gz NPPDWTLVILCQGT-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001690434071 1177242898 /nfs/dbraw/zinc/24/28/98/1177242898.db2.gz OREDQFWXJQLVEW-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001690434071 1177242901 /nfs/dbraw/zinc/24/29/01/1177242901.db2.gz OREDQFWXJQLVEW-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001692037092 1177407011 /nfs/dbraw/zinc/40/70/11/1177407011.db2.gz UCFFQBLEQHUOOG-DLBZAZTESA-N 2 1 321.465 0.800 20 30 DCEDMP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692237195 1177455633 /nfs/dbraw/zinc/45/56/33/1177455633.db2.gz CFMSCMSNTBJHRH-MRXNPFEDSA-N 2 1 318.421 0.500 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001692237195 1177455639 /nfs/dbraw/zinc/45/56/39/1177455639.db2.gz CFMSCMSNTBJHRH-MRXNPFEDSA-N 2 1 318.421 0.500 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)C1=O ZINC001698568064 1177561352 /nfs/dbraw/zinc/56/13/52/1177561352.db2.gz AJRPAFQEZXMITA-HUUCEWRRSA-N 2 1 322.453 0.258 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)C1=O ZINC001698568064 1177561356 /nfs/dbraw/zinc/56/13/56/1177561356.db2.gz AJRPAFQEZXMITA-HUUCEWRRSA-N 2 1 322.453 0.258 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001698871294 1177701893 /nfs/dbraw/zinc/70/18/93/1177701893.db2.gz MIVYSMYKCDHRSW-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001698901059 1177713070 /nfs/dbraw/zinc/71/30/70/1177713070.db2.gz LNJQSWUAYFCMJJ-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001699363420 1178101163 /nfs/dbraw/zinc/10/11/63/1178101163.db2.gz RENBMDSNBANGGQ-HZSPNIEDSA-N 2 1 310.442 0.113 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463862 1178150438 /nfs/dbraw/zinc/15/04/38/1178150438.db2.gz KYBXFDLCWMDQBN-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC#CCOC)C1 ZINC001699854525 1178318647 /nfs/dbraw/zinc/31/86/47/1178318647.db2.gz SPGNDJGKTSYTCD-QGZVFWFLSA-N 2 1 309.454 0.806 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001699993013 1178410995 /nfs/dbraw/zinc/41/09/95/1178410995.db2.gz ZNHICYCPULXSDQ-UHFFFAOYSA-N 2 1 319.453 0.938 20 30 DCEDMP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001700231964 1178543193 /nfs/dbraw/zinc/54/31/93/1178543193.db2.gz KLBIWUXUTHWGMQ-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001700610863 1178680848 /nfs/dbraw/zinc/68/08/48/1178680848.db2.gz OFHUOHVUUSIHJR-DZGCQCFKSA-N 2 1 304.394 0.420 20 30 DCEDMP COCC#CC[NH2+][C@H](CCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001700713429 1178719141 /nfs/dbraw/zinc/71/91/41/1178719141.db2.gz PDVPXEXQMCOXNX-MRXNPFEDSA-N 2 1 320.437 0.962 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC001700926155 1178806351 /nfs/dbraw/zinc/80/63/51/1178806351.db2.gz JUZRZBDNDREKLH-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC001700926155 1178806360 /nfs/dbraw/zinc/80/63/60/1178806360.db2.gz JUZRZBDNDREKLH-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001700976397 1178856545 /nfs/dbraw/zinc/85/65/45/1178856545.db2.gz RWPYHXRNJYQCDQ-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001700976397 1178856551 /nfs/dbraw/zinc/85/65/51/1178856551.db2.gz RWPYHXRNJYQCDQ-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001707213473 1180437149 /nfs/dbraw/zinc/43/71/49/1180437149.db2.gz PUAXWOPCPBRHQY-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001707213473 1180437153 /nfs/dbraw/zinc/43/71/53/1180437153.db2.gz PUAXWOPCPBRHQY-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001707213473 1180437158 /nfs/dbraw/zinc/43/71/58/1180437158.db2.gz PUAXWOPCPBRHQY-CVEARBPZSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccnn1C ZINC001713316580 1180764856 /nfs/dbraw/zinc/76/48/56/1180764856.db2.gz UHUUGJPVTIQQJB-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccnn1C ZINC001713316580 1180764862 /nfs/dbraw/zinc/76/48/62/1180764862.db2.gz UHUUGJPVTIQQJB-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001713400378 1180798809 /nfs/dbraw/zinc/79/88/09/1180798809.db2.gz GTQTXFIHYLYAFC-MRXNPFEDSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001713400378 1180798816 /nfs/dbraw/zinc/79/88/16/1180798816.db2.gz GTQTXFIHYLYAFC-MRXNPFEDSA-N 2 1 318.421 0.764 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001713531509 1180904777 /nfs/dbraw/zinc/90/47/77/1180904777.db2.gz BHCSPBTZLIDRIA-OAHLLOKOSA-N 2 1 309.454 0.969 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1 ZINC001713868161 1181121619 /nfs/dbraw/zinc/12/16/19/1181121619.db2.gz NRHDTAWARMGCMG-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001713889111 1181129660 /nfs/dbraw/zinc/12/96/60/1181129660.db2.gz IOMKPAXKOIXNNC-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001713889111 1181129664 /nfs/dbraw/zinc/12/96/64/1181129664.db2.gz IOMKPAXKOIXNNC-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001713889111 1181129668 /nfs/dbraw/zinc/12/96/68/1181129668.db2.gz IOMKPAXKOIXNNC-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001713889111 1181129670 /nfs/dbraw/zinc/12/96/70/1181129670.db2.gz IOMKPAXKOIXNNC-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714157333 1181266762 /nfs/dbraw/zinc/26/67/62/1181266762.db2.gz RUTSIOLGWBUMOE-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714304994 1181314174 /nfs/dbraw/zinc/31/41/74/1181314174.db2.gz JWYHVHAJMTVACU-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001714583791 1181425981 /nfs/dbraw/zinc/42/59/81/1181425981.db2.gz OXLGYBXOVFLNJN-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001714583791 1181425983 /nfs/dbraw/zinc/42/59/83/1181425983.db2.gz OXLGYBXOVFLNJN-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715214122 1181718520 /nfs/dbraw/zinc/71/85/20/1181718520.db2.gz ZFVJXCZLAQNLMU-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001715491743 1181827609 /nfs/dbraw/zinc/82/76/09/1181827609.db2.gz UPQCMMCPJKZHGY-KGLIPLIRSA-N 2 1 310.442 0.113 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001715617597 1181902738 /nfs/dbraw/zinc/90/27/38/1181902738.db2.gz VJVSKRWOOPPNEV-HOTGVXAUSA-N 2 1 303.406 0.379 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001715935192 1182108824 /nfs/dbraw/zinc/10/88/24/1182108824.db2.gz TUJXSSYWVZJBHG-OAGGEKHMSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001715935192 1182108831 /nfs/dbraw/zinc/10/88/31/1182108831.db2.gz TUJXSSYWVZJBHG-OAGGEKHMSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001716224381 1182265323 /nfs/dbraw/zinc/26/53/23/1182265323.db2.gz DPWONVOYVACYCA-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001716329884 1182338057 /nfs/dbraw/zinc/33/80/57/1182338057.db2.gz KUFNZWPYMPGTEJ-ZYDHHDLOSA-N 2 1 320.437 0.130 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001716330248 1182338914 /nfs/dbraw/zinc/33/89/14/1182338914.db2.gz RTWVPTUSXFLXRC-HLMASZERSA-N 2 1 308.426 0.033 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cncn1C ZINC001716440542 1182391573 /nfs/dbraw/zinc/39/15/73/1182391573.db2.gz IFEPMXJSXRZPLO-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cncn1C ZINC001716440542 1182391576 /nfs/dbraw/zinc/39/15/76/1182391576.db2.gz IFEPMXJSXRZPLO-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC[C@@H](C)O)CC1 ZINC001716670478 1182488807 /nfs/dbraw/zinc/48/88/07/1182488807.db2.gz FRGPGZZSUCMWGU-NVXWUHKLSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001716921244 1182576459 /nfs/dbraw/zinc/57/64/59/1182576459.db2.gz NJOYYYNIGZACGZ-QGZVFWFLSA-N 2 1 312.373 0.443 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC#CCOC)C1 ZINC001717105658 1182678963 /nfs/dbraw/zinc/67/89/63/1182678963.db2.gz YHBSTLKDDCIEPG-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001723589711 1184330858 /nfs/dbraw/zinc/33/08/58/1184330858.db2.gz NKLWRIRWQIBFIM-GFCCVEGCSA-N 2 1 319.409 0.121 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC#CCOC)CC[N@H+]1C ZINC001723906719 1184361416 /nfs/dbraw/zinc/36/14/16/1184361416.db2.gz PUOFUYDTIMBNOW-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001724021914 1184368585 /nfs/dbraw/zinc/36/85/85/1184368585.db2.gz GIRPGXXJRRYYAG-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001724021914 1184368591 /nfs/dbraw/zinc/36/85/91/1184368591.db2.gz GIRPGXXJRRYYAG-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001724355744 1184413162 /nfs/dbraw/zinc/41/31/62/1184413162.db2.gz MMZKHZQCFXCBSM-HUUCEWRRSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001724400796 1184429629 /nfs/dbraw/zinc/42/96/29/1184429629.db2.gz FHILFPRCHYGBFK-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001724400796 1184429634 /nfs/dbraw/zinc/42/96/34/1184429634.db2.gz FHILFPRCHYGBFK-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001724400796 1184429639 /nfs/dbraw/zinc/42/96/39/1184429639.db2.gz FHILFPRCHYGBFK-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724410604 1184434307 /nfs/dbraw/zinc/43/43/07/1184434307.db2.gz IJADHBFHGHBMSY-KRWDZBQOSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001724428004 1184439933 /nfs/dbraw/zinc/43/99/33/1184439933.db2.gz SBXUMIQPSXXFHX-QGZVFWFLSA-N 2 1 309.454 0.992 20 30 DCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001725020655 1184658343 /nfs/dbraw/zinc/65/83/43/1184658343.db2.gz DHJKPRDMNRDHGK-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001725170951 1184707112 /nfs/dbraw/zinc/70/71/12/1184707112.db2.gz MLWKLFVNAYTWHL-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725170951 1184707118 /nfs/dbraw/zinc/70/71/18/1184707118.db2.gz MLWKLFVNAYTWHL-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725170951 1184707122 /nfs/dbraw/zinc/70/71/22/1184707122.db2.gz MLWKLFVNAYTWHL-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001725310412 1184763730 /nfs/dbraw/zinc/76/37/30/1184763730.db2.gz WFCLKLNPJSBHJA-JONQDZQNSA-N 2 1 309.429 0.984 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725529064 1184861047 /nfs/dbraw/zinc/86/10/47/1184861047.db2.gz BGJVXCVIICPXCJ-HZPDHXFCSA-N 2 1 321.465 0.731 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731359804 1185292423 /nfs/dbraw/zinc/29/24/23/1185292423.db2.gz ZAHVEOSRXGUAOF-INIZCTEOSA-N 2 1 308.470 0.781 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731424653 1185326145 /nfs/dbraw/zinc/32/61/45/1185326145.db2.gz JRUXSAXUACERQQ-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001731424653 1185326153 /nfs/dbraw/zinc/32/61/53/1185326153.db2.gz JRUXSAXUACERQQ-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731424653 1185326160 /nfs/dbraw/zinc/32/61/60/1185326160.db2.gz JRUXSAXUACERQQ-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001731574019 1185395223 /nfs/dbraw/zinc/39/52/23/1185395223.db2.gz XUMZDCULUCFQDU-QQFBHYJXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001731670697 1185438442 /nfs/dbraw/zinc/43/84/42/1185438442.db2.gz FCAFUNAMVFVTPE-HUUCEWRRSA-N 2 1 300.406 0.825 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731864846 1185537791 /nfs/dbraw/zinc/53/77/91/1185537791.db2.gz OYWNBAGRVDGEJJ-QGZVFWFLSA-N 2 1 321.465 0.806 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731864843 1185539123 /nfs/dbraw/zinc/53/91/23/1185539123.db2.gz OYWNBAGRVDGEJJ-KRWDZBQOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCOCC1 ZINC001731919855 1185574371 /nfs/dbraw/zinc/57/43/71/1185574371.db2.gz OJBGTPSMDCXHHD-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCOCC1 ZINC001731919855 1185574380 /nfs/dbraw/zinc/57/43/80/1185574380.db2.gz OJBGTPSMDCXHHD-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC#CCOC ZINC001732031116 1185641035 /nfs/dbraw/zinc/64/10/35/1185641035.db2.gz CICIBAMKPHIFOS-IYBDPMFKSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC#CCOC ZINC001732031116 1185641039 /nfs/dbraw/zinc/64/10/39/1185641039.db2.gz CICIBAMKPHIFOS-IYBDPMFKSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC ZINC001732031116 1185641043 /nfs/dbraw/zinc/64/10/43/1185641043.db2.gz CICIBAMKPHIFOS-IYBDPMFKSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC ZINC001732031116 1185641046 /nfs/dbraw/zinc/64/10/46/1185641046.db2.gz CICIBAMKPHIFOS-IYBDPMFKSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CCN1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001732128341 1185687841 /nfs/dbraw/zinc/68/78/41/1185687841.db2.gz FFNZYESGCGFPMG-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001732128341 1185687844 /nfs/dbraw/zinc/68/78/44/1185687844.db2.gz FFNZYESGCGFPMG-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001732128341 1185687849 /nfs/dbraw/zinc/68/78/49/1185687849.db2.gz FFNZYESGCGFPMG-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001732653429 1185898436 /nfs/dbraw/zinc/89/84/36/1185898436.db2.gz CODVDOZMKDUMOQ-ZBFHGGJFSA-N 2 1 320.437 0.787 20 30 DCEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001733482493 1186290653 /nfs/dbraw/zinc/29/06/53/1186290653.db2.gz JDZWCMXCFTXUNY-ZMSDIMECSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001733482493 1186290656 /nfs/dbraw/zinc/29/06/56/1186290656.db2.gz JDZWCMXCFTXUNY-ZMSDIMECSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001733482493 1186290663 /nfs/dbraw/zinc/29/06/63/1186290663.db2.gz JDZWCMXCFTXUNY-ZMSDIMECSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001733679142 1186397992 /nfs/dbraw/zinc/39/79/92/1186397992.db2.gz WSVPPCLBYFUUIP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001733679142 1186397998 /nfs/dbraw/zinc/39/79/98/1186397998.db2.gz WSVPPCLBYFUUIP-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001733870302 1186481495 /nfs/dbraw/zinc/48/14/95/1186481495.db2.gz SUXBHGYLUCHFPA-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001733913435 1186495899 /nfs/dbraw/zinc/49/58/99/1186495899.db2.gz QVIBTSWLTFOLQH-LSDHHAIUSA-N 2 1 307.438 0.293 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001734423528 1186649263 /nfs/dbraw/zinc/64/92/63/1186649263.db2.gz ZBIKKGXGNRWMGU-HIFRSBDPSA-N 2 1 304.394 0.420 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001734423534 1186649416 /nfs/dbraw/zinc/64/94/16/1186649416.db2.gz ZBIKKGXGNRWMGU-ZFWWWQNUSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CCC[NH+]1CCN(CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001752354741 1188416478 /nfs/dbraw/zinc/41/64/78/1188416478.db2.gz DAQASXFRVOYODK-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752354741 1188416480 /nfs/dbraw/zinc/41/64/80/1188416480.db2.gz DAQASXFRVOYODK-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CCCN1CC[NH+](CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001752354741 1188416481 /nfs/dbraw/zinc/41/64/81/1188416481.db2.gz DAQASXFRVOYODK-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001752434159 1188421869 /nfs/dbraw/zinc/42/18/69/1188421869.db2.gz BWBQXRSECUUHSG-MRXNPFEDSA-N 2 1 319.449 0.703 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001752825367 1188446874 /nfs/dbraw/zinc/44/68/74/1188446874.db2.gz QVZZQGPYNDAYGS-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001752825367 1188446877 /nfs/dbraw/zinc/44/68/77/1188446877.db2.gz QVZZQGPYNDAYGS-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001752825367 1188446879 /nfs/dbraw/zinc/44/68/79/1188446879.db2.gz QVZZQGPYNDAYGS-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001752825367 1188446881 /nfs/dbraw/zinc/44/68/81/1188446881.db2.gz QVZZQGPYNDAYGS-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001752983849 1188471209 /nfs/dbraw/zinc/47/12/09/1188471209.db2.gz PWGHLGCOVJAHPJ-JKSUJKDBSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCO ZINC001753030376 1188480403 /nfs/dbraw/zinc/48/04/03/1188480403.db2.gz WBMQHDSNROZPHQ-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCO ZINC001753030376 1188480405 /nfs/dbraw/zinc/48/04/05/1188480405.db2.gz WBMQHDSNROZPHQ-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCO ZINC001753030376 1188480406 /nfs/dbraw/zinc/48/04/06/1188480406.db2.gz WBMQHDSNROZPHQ-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCO ZINC001753030376 1188480408 /nfs/dbraw/zinc/48/04/08/1188480408.db2.gz WBMQHDSNROZPHQ-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOCC)CC1 ZINC001753428085 1188593839 /nfs/dbraw/zinc/59/38/39/1188593839.db2.gz VVOIPNSEXUIBJU-IRXDYDNUSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOCC)CC1 ZINC001753428085 1188593842 /nfs/dbraw/zinc/59/38/42/1188593842.db2.gz VVOIPNSEXUIBJU-IRXDYDNUSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001753448579 1188599595 /nfs/dbraw/zinc/59/95/95/1188599595.db2.gz XFARXJUFXLWLHM-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001753448579 1188599599 /nfs/dbraw/zinc/59/95/99/1188599599.db2.gz XFARXJUFXLWLHM-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001753527724 1188614483 /nfs/dbraw/zinc/61/44/83/1188614483.db2.gz PUGLTHOVNDODRX-QAPCUYQASA-N 2 1 321.465 0.853 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001754296370 1188812089 /nfs/dbraw/zinc/81/20/89/1188812089.db2.gz JNNNSINVCVLGIR-KBPBESRZSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]C(C)C)CC1 ZINC001754849324 1188947621 /nfs/dbraw/zinc/94/76/21/1188947621.db2.gz PCBLQMLYLGHSMM-KRWDZBQOSA-N 2 1 320.481 0.663 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]C(C)C)CC1 ZINC001754849324 1188947623 /nfs/dbraw/zinc/94/76/23/1188947623.db2.gz PCBLQMLYLGHSMM-KRWDZBQOSA-N 2 1 320.481 0.663 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001755033833 1189002204 /nfs/dbraw/zinc/00/22/04/1189002204.db2.gz FYGQBYGZEAHJJJ-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001755088319 1189019081 /nfs/dbraw/zinc/01/90/81/1189019081.db2.gz RNWLGNQRMUROKH-SJLPKXTDSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001755160073 1189041082 /nfs/dbraw/zinc/04/10/82/1189041082.db2.gz FGAOVFPPRYYYBF-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)CC[N@H+]1C ZINC001755587311 1189153091 /nfs/dbraw/zinc/15/30/91/1189153091.db2.gz AKBBXFYGQIBUBF-HRCADAONSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001755591437 1189154086 /nfs/dbraw/zinc/15/40/86/1189154086.db2.gz KGULQBXDKTYCKS-CVEARBPZSA-N 2 1 305.422 0.170 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001755591437 1189154089 /nfs/dbraw/zinc/15/40/89/1189154089.db2.gz KGULQBXDKTYCKS-CVEARBPZSA-N 2 1 305.422 0.170 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001755644644 1189173133 /nfs/dbraw/zinc/17/31/33/1189173133.db2.gz ASDAXSZQQMMKKB-QGZVFWFLSA-N 2 1 317.433 0.447 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001755705082 1189190039 /nfs/dbraw/zinc/19/00/39/1189190039.db2.gz UMEWKFBEKPSTQJ-XYJFISCASA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001755705082 1189190041 /nfs/dbraw/zinc/19/00/41/1189190041.db2.gz UMEWKFBEKPSTQJ-XYJFISCASA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001755705082 1189190044 /nfs/dbraw/zinc/19/00/44/1189190044.db2.gz UMEWKFBEKPSTQJ-XYJFISCASA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001755779402 1189209303 /nfs/dbraw/zinc/20/93/03/1189209303.db2.gz JNFJUHSJGUCAGT-LSDHHAIUSA-N 2 1 320.437 0.829 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083192530 746969548 /nfs/dbraw/zinc/96/95/48/746969548.db2.gz FKJDLXWSGNOCEB-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083192530 746969554 /nfs/dbraw/zinc/96/95/54/746969554.db2.gz FKJDLXWSGNOCEB-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083192530 746969559 /nfs/dbraw/zinc/96/95/59/746969559.db2.gz FKJDLXWSGNOCEB-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098561029 747337085 /nfs/dbraw/zinc/33/70/85/747337085.db2.gz NLKSSWIOJUKHRM-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561029 747337089 /nfs/dbraw/zinc/33/70/89/747337089.db2.gz NLKSSWIOJUKHRM-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561029 747337097 /nfs/dbraw/zinc/33/70/97/747337097.db2.gz NLKSSWIOJUKHRM-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001098570840 747435312 /nfs/dbraw/zinc/43/53/12/747435312.db2.gz IOWHIBARARYMCY-HOTGVXAUSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105040082 748012644 /nfs/dbraw/zinc/01/26/44/748012644.db2.gz DNXFPGQDIBQKKI-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105040082 748012649 /nfs/dbraw/zinc/01/26/49/748012649.db2.gz DNXFPGQDIBQKKI-OAGGEKHMSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132400 750218179 /nfs/dbraw/zinc/21/81/79/750218179.db2.gz WZSQPFHMSNILDD-ARFHVFGLSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132400 750218183 /nfs/dbraw/zinc/21/81/83/750218183.db2.gz WZSQPFHMSNILDD-ARFHVFGLSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132400 750218185 /nfs/dbraw/zinc/21/81/85/750218185.db2.gz WZSQPFHMSNILDD-ARFHVFGLSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077132400 750218188 /nfs/dbraw/zinc/21/81/88/750218188.db2.gz WZSQPFHMSNILDD-ARFHVFGLSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462470 762050113 /nfs/dbraw/zinc/05/01/13/762050113.db2.gz WIQGDPUPJRALDV-UHFFFAOYSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577512 751193785 /nfs/dbraw/zinc/19/37/85/751193785.db2.gz LBXHBWZODFFFTE-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577512 751193789 /nfs/dbraw/zinc/19/37/89/751193789.db2.gz LBXHBWZODFFFTE-BRWVUGGUSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089353153 751284190 /nfs/dbraw/zinc/28/41/90/751284190.db2.gz XWPFFOVAABIYLY-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089353153 751284194 /nfs/dbraw/zinc/28/41/94/751284194.db2.gz XWPFFOVAABIYLY-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089353153 751284196 /nfs/dbraw/zinc/28/41/96/751284196.db2.gz XWPFFOVAABIYLY-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089353153 751284200 /nfs/dbraw/zinc/28/42/00/751284200.db2.gz XWPFFOVAABIYLY-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077777679 752520941 /nfs/dbraw/zinc/52/09/41/752520941.db2.gz WECNCRPHPXARKL-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777679 752520951 /nfs/dbraw/zinc/52/09/51/752520951.db2.gz WECNCRPHPXARKL-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777679 752520957 /nfs/dbraw/zinc/52/09/57/752520957.db2.gz WECNCRPHPXARKL-OWCLPIDISA-N 2 1 309.454 0.987 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107952614 752594183 /nfs/dbraw/zinc/59/41/83/752594183.db2.gz IMTPWMYUAVEZDF-INMHGKMJSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107952614 752594188 /nfs/dbraw/zinc/59/41/88/752594188.db2.gz IMTPWMYUAVEZDF-INMHGKMJSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952614 752594189 /nfs/dbraw/zinc/59/41/89/752594189.db2.gz IMTPWMYUAVEZDF-INMHGKMJSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952614 752594193 /nfs/dbraw/zinc/59/41/93/752594193.db2.gz IMTPWMYUAVEZDF-INMHGKMJSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430352 752889115 /nfs/dbraw/zinc/88/91/15/752889115.db2.gz KGEIAOFKLYYUME-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430352 752889122 /nfs/dbraw/zinc/88/91/22/752889122.db2.gz KGEIAOFKLYYUME-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430352 752889128 /nfs/dbraw/zinc/88/91/28/752889128.db2.gz KGEIAOFKLYYUME-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430352 752889134 /nfs/dbraw/zinc/88/91/34/752889134.db2.gz KGEIAOFKLYYUME-ARFHVFGLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046009940 753412343 /nfs/dbraw/zinc/41/23/43/753412343.db2.gz GITTWRZBGMZWHL-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046009940 753412346 /nfs/dbraw/zinc/41/23/46/753412346.db2.gz GITTWRZBGMZWHL-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046009940 753412349 /nfs/dbraw/zinc/41/23/49/753412349.db2.gz GITTWRZBGMZWHL-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046041259 753444325 /nfs/dbraw/zinc/44/43/25/753444325.db2.gz PKHQEWQIRSPLAX-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041259 753444327 /nfs/dbraw/zinc/44/43/27/753444327.db2.gz PKHQEWQIRSPLAX-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041259 753444329 /nfs/dbraw/zinc/44/43/29/753444329.db2.gz PKHQEWQIRSPLAX-IRXDYDNUSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043525 753445227 /nfs/dbraw/zinc/44/52/27/753445227.db2.gz HJZSFYZBLCWYFD-MRXNPFEDSA-N 2 1 315.421 0.043 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043525 753445232 /nfs/dbraw/zinc/44/52/32/753445232.db2.gz HJZSFYZBLCWYFD-MRXNPFEDSA-N 2 1 315.421 0.043 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081903 753472020 /nfs/dbraw/zinc/47/20/20/753472020.db2.gz LRLPFBFTIYOGBZ-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081903 753472023 /nfs/dbraw/zinc/47/20/23/753472023.db2.gz LRLPFBFTIYOGBZ-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081903 753472026 /nfs/dbraw/zinc/47/20/26/753472026.db2.gz LRLPFBFTIYOGBZ-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001046849406 753979707 /nfs/dbraw/zinc/97/97/07/753979707.db2.gz DUOPZVZNJJAFSS-SFHVURJKSA-N 2 1 301.434 0.936 20 30 DCEDMP C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001047401267 754247422 /nfs/dbraw/zinc/24/74/22/754247422.db2.gz JSHRNTFORMSEOY-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001047401267 754247424 /nfs/dbraw/zinc/24/74/24/754247424.db2.gz JSHRNTFORMSEOY-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001047401267 754247430 /nfs/dbraw/zinc/24/74/30/754247430.db2.gz JSHRNTFORMSEOY-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401267 754247434 /nfs/dbraw/zinc/24/74/34/754247434.db2.gz JSHRNTFORMSEOY-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401267 754247439 /nfs/dbraw/zinc/24/74/39/754247439.db2.gz JSHRNTFORMSEOY-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047472400 754312009 /nfs/dbraw/zinc/31/20/09/754312009.db2.gz JXRSMLMIBUNYOJ-YESZJQIVSA-N 2 1 319.449 0.388 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047525495 754359313 /nfs/dbraw/zinc/35/93/13/754359313.db2.gz MMVHOSUTDJXDFI-GJZGRUSLSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047525495 754359318 /nfs/dbraw/zinc/35/93/18/754359318.db2.gz MMVHOSUTDJXDFI-GJZGRUSLSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047525495 754359327 /nfs/dbraw/zinc/35/93/27/754359327.db2.gz MMVHOSUTDJXDFI-GJZGRUSLSA-N 2 1 309.454 0.798 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001047638123 754452814 /nfs/dbraw/zinc/45/28/14/754452814.db2.gz CLDJTDZAZVCOKB-PMPSAXMXSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638123 754452815 /nfs/dbraw/zinc/45/28/15/754452815.db2.gz CLDJTDZAZVCOKB-PMPSAXMXSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638123 754452817 /nfs/dbraw/zinc/45/28/17/754452817.db2.gz CLDJTDZAZVCOKB-PMPSAXMXSA-N 2 1 307.438 0.388 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048738778 754907900 /nfs/dbraw/zinc/90/79/00/754907900.db2.gz CQAHORYWOBMCEE-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048738778 754907904 /nfs/dbraw/zinc/90/79/04/754907904.db2.gz CQAHORYWOBMCEE-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738778 754907906 /nfs/dbraw/zinc/90/79/06/754907906.db2.gz CQAHORYWOBMCEE-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048738778 754907909 /nfs/dbraw/zinc/90/79/09/754907909.db2.gz CQAHORYWOBMCEE-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)OC)C[C@@H]2C1 ZINC001048870057 754987983 /nfs/dbraw/zinc/98/79/83/754987983.db2.gz MVWMLTQAJLWNLK-NCOADZHNSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@@H]2C1 ZINC001048870057 754987988 /nfs/dbraw/zinc/98/79/88/754987988.db2.gz MVWMLTQAJLWNLK-NCOADZHNSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)OC)C[C@@H]2C1 ZINC001048870057 754987991 /nfs/dbraw/zinc/98/79/91/754987991.db2.gz MVWMLTQAJLWNLK-NCOADZHNSA-N 2 1 319.449 0.509 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)OC)C[C@@H]2C1 ZINC001048870057 754987994 /nfs/dbraw/zinc/98/79/94/754987994.db2.gz MVWMLTQAJLWNLK-NCOADZHNSA-N 2 1 319.449 0.509 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001048891981 755001134 /nfs/dbraw/zinc/00/11/34/755001134.db2.gz ZKKQTEDOLLUICL-IYBDPMFKSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215703 755187298 /nfs/dbraw/zinc/18/72/98/755187298.db2.gz JQDJDUPNDLYCHN-OAGGEKHMSA-N 2 1 307.438 0.531 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391026 755247749 /nfs/dbraw/zinc/24/77/49/755247749.db2.gz FYTAXRHRAZNFDJ-OAGGEKHMSA-N 2 1 305.422 0.406 20 30 DCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC[NH+](C)CC1)CO2 ZINC001053913054 756274010 /nfs/dbraw/zinc/27/40/10/756274010.db2.gz LAAFBPMFPUGTCY-HNNXBMFYSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2C)CC1 ZINC001080998192 756417961 /nfs/dbraw/zinc/41/79/61/756417961.db2.gz VYLHJJMIYBWAEE-HLLBOEOZSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110424 757470829 /nfs/dbraw/zinc/47/08/29/757470829.db2.gz CUKYYPQHONRVMM-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110424 757470835 /nfs/dbraw/zinc/47/08/35/757470835.db2.gz CUKYYPQHONRVMM-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110424 757470846 /nfs/dbraw/zinc/47/08/46/757470846.db2.gz CUKYYPQHONRVMM-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083110424 757470853 /nfs/dbraw/zinc/47/08/53/757470853.db2.gz CUKYYPQHONRVMM-IXDOHACOSA-N 2 1 319.449 0.796 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961611 757591057 /nfs/dbraw/zinc/59/10/57/757591057.db2.gz AHEGBFCJDFWRHY-HIFRSBDPSA-N 2 1 304.394 0.499 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961611 757591063 /nfs/dbraw/zinc/59/10/63/757591063.db2.gz AHEGBFCJDFWRHY-HIFRSBDPSA-N 2 1 304.394 0.499 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2O)CC1 ZINC001084088051 757668268 /nfs/dbraw/zinc/66/82/68/757668268.db2.gz NSIVUWQAHYVIQZ-CVEARBPZSA-N 2 1 307.438 0.149 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050525240 757795371 /nfs/dbraw/zinc/79/53/71/757795371.db2.gz DDRDDCPUPKUXHR-CVEARBPZSA-N 2 1 319.449 0.960 20 30 DCEDMP CC#CCN1CC[C@@H]2CN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001084722325 757985897 /nfs/dbraw/zinc/98/58/97/757985897.db2.gz KGQWOYZCAJPWIA-HZPDHXFCSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001084844534 758078722 /nfs/dbraw/zinc/07/87/22/758078722.db2.gz XTJFLKRJOZQJGE-BZUAXINKSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001084844534 758078728 /nfs/dbraw/zinc/07/87/28/758078728.db2.gz XTJFLKRJOZQJGE-BZUAXINKSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844534 758078740 /nfs/dbraw/zinc/07/87/40/758078740.db2.gz XTJFLKRJOZQJGE-BZUAXINKSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844534 758078752 /nfs/dbraw/zinc/07/87/52/758078752.db2.gz XTJFLKRJOZQJGE-BZUAXINKSA-N 2 1 305.422 0.263 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001084844475 758081317 /nfs/dbraw/zinc/08/13/17/758081317.db2.gz VIFDWEASEVGZNW-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001084844475 758081328 /nfs/dbraw/zinc/08/13/28/758081328.db2.gz VIFDWEASEVGZNW-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844475 758081333 /nfs/dbraw/zinc/08/13/33/758081333.db2.gz VIFDWEASEVGZNW-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844475 758081337 /nfs/dbraw/zinc/08/13/37/758081337.db2.gz VIFDWEASEVGZNW-OAGGEKHMSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090400748 758242674 /nfs/dbraw/zinc/24/26/74/758242674.db2.gz YCDOPGRLLBOOKW-CVEARBPZSA-N 2 1 312.373 0.523 20 30 DCEDMP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117599 759191495 /nfs/dbraw/zinc/19/14/95/759191495.db2.gz VAFIZHNFYVZKCC-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001098570337 762692077 /nfs/dbraw/zinc/69/20/77/762692077.db2.gz HTBQINMXXBXYNU-HZPDHXFCSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001098396039 759451717 /nfs/dbraw/zinc/45/17/17/759451717.db2.gz LZEVUTDQENSQGO-KRWDZBQOSA-N 2 1 317.433 0.003 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001098396039 759451724 /nfs/dbraw/zinc/45/17/24/759451724.db2.gz LZEVUTDQENSQGO-KRWDZBQOSA-N 2 1 317.433 0.003 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001098396039 759451732 /nfs/dbraw/zinc/45/17/32/759451732.db2.gz LZEVUTDQENSQGO-KRWDZBQOSA-N 2 1 317.433 0.003 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001098396039 759451737 /nfs/dbraw/zinc/45/17/37/759451737.db2.gz LZEVUTDQENSQGO-KRWDZBQOSA-N 2 1 317.433 0.003 20 30 DCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086091703 759705521 /nfs/dbraw/zinc/70/55/21/759705521.db2.gz KCDLGSACGPBMPV-XUWVNRHRSA-N 2 1 307.438 0.910 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344865 760418830 /nfs/dbraw/zinc/41/88/30/760418830.db2.gz VICMLFRSNNHYFV-INIZCTEOSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344865 760418834 /nfs/dbraw/zinc/41/88/34/760418834.db2.gz VICMLFRSNNHYFV-INIZCTEOSA-N 2 1 305.422 0.313 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[N@H+](C)CCC)C1=O ZINC001148573175 768019184 /nfs/dbraw/zinc/01/91/84/768019184.db2.gz QAPCNJIRCKXKCV-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001109449031 761422572 /nfs/dbraw/zinc/42/25/72/761422572.db2.gz BGYUWFRXYFTPTM-LTIDMASMSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C)C2 ZINC001109449031 761422576 /nfs/dbraw/zinc/42/25/76/761422576.db2.gz BGYUWFRXYFTPTM-LTIDMASMSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449214 761422713 /nfs/dbraw/zinc/42/27/13/761422713.db2.gz KIGGYUBHHSNNRD-PMPSAXMXSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241564 761733534 /nfs/dbraw/zinc/73/35/34/761733534.db2.gz WTSNZTNMXWBJEX-WBVHZDCISA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001099307329 762860039 /nfs/dbraw/zinc/86/00/39/762860039.db2.gz OJFMQNGMCSGVAI-JHJVBQTASA-N 2 1 317.355 0.940 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001099307329 762860045 /nfs/dbraw/zinc/86/00/45/762860045.db2.gz OJFMQNGMCSGVAI-JHJVBQTASA-N 2 1 317.355 0.940 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001098478830 764361487 /nfs/dbraw/zinc/36/14/87/764361487.db2.gz FZUVKPMCRHEJKG-OAHLLOKOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098478830 764361494 /nfs/dbraw/zinc/36/14/94/764361494.db2.gz FZUVKPMCRHEJKG-OAHLLOKOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098478830 764361498 /nfs/dbraw/zinc/36/14/98/764361498.db2.gz FZUVKPMCRHEJKG-OAHLLOKOSA-N 2 1 307.438 0.389 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409908 764447653 /nfs/dbraw/zinc/44/76/53/764447653.db2.gz GSDIPBBSKQHUIS-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409908 764447656 /nfs/dbraw/zinc/44/76/56/764447656.db2.gz GSDIPBBSKQHUIS-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409908 764447661 /nfs/dbraw/zinc/44/76/61/764447661.db2.gz GSDIPBBSKQHUIS-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409908 764447664 /nfs/dbraw/zinc/44/76/64/764447664.db2.gz GSDIPBBSKQHUIS-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818788 764829038 /nfs/dbraw/zinc/82/90/38/764829038.db2.gz HPBZGMHAIRYFCE-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818788 764829045 /nfs/dbraw/zinc/82/90/45/764829045.db2.gz HPBZGMHAIRYFCE-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818788 764829056 /nfs/dbraw/zinc/82/90/56/764829056.db2.gz HPBZGMHAIRYFCE-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818788 764829066 /nfs/dbraw/zinc/82/90/66/764829066.db2.gz HPBZGMHAIRYFCE-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033684 765243677 /nfs/dbraw/zinc/24/36/77/765243677.db2.gz CKAVTSVXCHMICM-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033684 765243684 /nfs/dbraw/zinc/24/36/84/765243684.db2.gz CKAVTSVXCHMICM-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115151745 765609416 /nfs/dbraw/zinc/60/94/16/765609416.db2.gz LCFHACRGNKUSOA-NYTXWWLZSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115151745 765609422 /nfs/dbraw/zinc/60/94/22/765609422.db2.gz LCFHACRGNKUSOA-NYTXWWLZSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115151745 765609429 /nfs/dbraw/zinc/60/94/29/765609429.db2.gz LCFHACRGNKUSOA-NYTXWWLZSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134759000 765656720 /nfs/dbraw/zinc/65/67/20/765656720.db2.gz DYIQBEWSLBBANV-AWEZNQCLSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090523430 765983419 /nfs/dbraw/zinc/98/34/19/765983419.db2.gz QNECRLUEHCBCGO-KGLIPLIRSA-N 2 1 307.394 0.692 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572644 766327016 /nfs/dbraw/zinc/32/70/16/766327016.db2.gz HIZXXIRDAUKOHS-LSDHHAIUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572644 766327020 /nfs/dbraw/zinc/32/70/20/766327020.db2.gz HIZXXIRDAUKOHS-LSDHHAIUSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572644 766327025 /nfs/dbraw/zinc/32/70/25/766327025.db2.gz HIZXXIRDAUKOHS-LSDHHAIUSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090616195 766381163 /nfs/dbraw/zinc/38/11/63/766381163.db2.gz MWALOLLDAGCYMB-UONOGXRCSA-N 2 1 306.410 0.744 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090616195 766381172 /nfs/dbraw/zinc/38/11/72/766381172.db2.gz MWALOLLDAGCYMB-UONOGXRCSA-N 2 1 306.410 0.744 20 30 DCEDMP CC[N@H+]1CC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC001120480996 767032656 /nfs/dbraw/zinc/03/26/56/767032656.db2.gz KHBWUWXIRHDXHZ-AWEZNQCLSA-N 2 1 322.434 0.658 20 30 DCEDMP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146332857 767426203 /nfs/dbraw/zinc/42/62/03/767426203.db2.gz KNBBDHRSYLZDAT-KGLIPLIRSA-N 2 1 306.410 0.714 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@]2(C)C1 ZINC001091565284 767468998 /nfs/dbraw/zinc/46/89/98/767468998.db2.gz JRJKZSXIZWRPLK-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565284 767469004 /nfs/dbraw/zinc/46/90/04/767469004.db2.gz JRJKZSXIZWRPLK-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565284 767469008 /nfs/dbraw/zinc/46/90/08/767469008.db2.gz JRJKZSXIZWRPLK-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565284 767469012 /nfs/dbraw/zinc/46/90/12/767469012.db2.gz JRJKZSXIZWRPLK-VYDXJSESSA-N 2 1 305.422 0.121 20 30 DCEDMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#CCOC ZINC001147359580 767724984 /nfs/dbraw/zinc/72/49/84/767724984.db2.gz SSSWSFZHWFQHLM-MRXNPFEDSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001149803644 768865658 /nfs/dbraw/zinc/86/56/58/768865658.db2.gz BMMVVIQPGYBSEC-HUUCEWRRSA-N 2 1 313.417 0.507 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001149803644 768865667 /nfs/dbraw/zinc/86/56/67/768865667.db2.gz BMMVVIQPGYBSEC-HUUCEWRRSA-N 2 1 313.417 0.507 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001151049440 769246403 /nfs/dbraw/zinc/24/64/03/769246403.db2.gz OUQPQHJWDBIVJU-ZDUSSCGKSA-N 2 1 304.369 0.855 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001153424791 769814496 /nfs/dbraw/zinc/81/44/96/769814496.db2.gz PWXBYJZUSBWGFY-OAHLLOKOSA-N 2 1 319.453 0.908 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154385396 770165685 /nfs/dbraw/zinc/16/56/85/770165685.db2.gz IAMWEGNHZABGNJ-CTMQZQKCSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001154385396 770165691 /nfs/dbraw/zinc/16/56/91/770165691.db2.gz IAMWEGNHZABGNJ-CTMQZQKCSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001154385396 770165695 /nfs/dbraw/zinc/16/56/95/770165695.db2.gz IAMWEGNHZABGNJ-CTMQZQKCSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154396598 770168643 /nfs/dbraw/zinc/16/86/43/770168643.db2.gz MVRPZBCTJVUERU-HCEZTOJASA-N 2 1 307.438 0.862 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009056 771217776 /nfs/dbraw/zinc/21/77/76/771217776.db2.gz PJLIOWGKOCTRJM-BFYDXBDKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009056 771217780 /nfs/dbraw/zinc/21/77/80/771217780.db2.gz PJLIOWGKOCTRJM-BFYDXBDKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001182897472 771573261 /nfs/dbraw/zinc/57/32/61/771573261.db2.gz ZQDBXVMFNFOWKO-SJLPKXTDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158411296 771769960 /nfs/dbraw/zinc/76/99/60/771769960.db2.gz BURRLUJDGKGSTE-SOUVJXGZSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184433425 771787045 /nfs/dbraw/zinc/78/70/45/771787045.db2.gz IFLLJLSBANHPEA-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185294639 771901024 /nfs/dbraw/zinc/90/10/24/771901024.db2.gz RCYQJLNHUMOLHB-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185294643 771901379 /nfs/dbraw/zinc/90/13/79/771901379.db2.gz RCYQJLNHUMOLHB-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001185675974 771947164 /nfs/dbraw/zinc/94/71/64/771947164.db2.gz FKKYBGTZNCSAAH-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159883651 771972335 /nfs/dbraw/zinc/97/23/35/771972335.db2.gz UVIYLKZZTWRYLJ-OAHLLOKOSA-N 2 1 307.442 0.875 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001160197925 772006803 /nfs/dbraw/zinc/00/68/03/772006803.db2.gz OEOQDAYJHBFVEW-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001160197925 772006810 /nfs/dbraw/zinc/00/68/10/772006810.db2.gz OEOQDAYJHBFVEW-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCCCC ZINC001160209630 772009207 /nfs/dbraw/zinc/00/92/07/772009207.db2.gz SWKSMURAZLGZAW-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCCCC ZINC001160209630 772009211 /nfs/dbraw/zinc/00/92/11/772009211.db2.gz SWKSMURAZLGZAW-INIZCTEOSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1nncn1C ZINC001160209845 772010566 /nfs/dbraw/zinc/01/05/66/772010566.db2.gz YOALHDJMAKFNMB-KGLIPLIRSA-N 2 1 318.425 0.070 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1nncn1C ZINC001160209845 772010572 /nfs/dbraw/zinc/01/05/72/772010572.db2.gz YOALHDJMAKFNMB-KGLIPLIRSA-N 2 1 318.425 0.070 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879412 772294138 /nfs/dbraw/zinc/29/41/38/772294138.db2.gz LFFIMOVOFACNDR-MRXNPFEDSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818306 772371189 /nfs/dbraw/zinc/37/11/89/772371189.db2.gz CKPYVTVBFNWGCE-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818306 772371195 /nfs/dbraw/zinc/37/11/95/772371195.db2.gz CKPYVTVBFNWGCE-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188818306 772371202 /nfs/dbraw/zinc/37/12/02/772371202.db2.gz CKPYVTVBFNWGCE-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188818306 772371205 /nfs/dbraw/zinc/37/12/05/772371205.db2.gz CKPYVTVBFNWGCE-YESZJQIVSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162576325 772393913 /nfs/dbraw/zinc/39/39/13/772393913.db2.gz CZSPHCBUHAHRDV-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162603960 772396191 /nfs/dbraw/zinc/39/61/91/772396191.db2.gz FEDHORXJUGEGPK-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872436 772427142 /nfs/dbraw/zinc/42/71/42/772427142.db2.gz RRCCUWZWHQAIHR-OWYJLGKBSA-N 2 1 313.829 0.698 20 30 DCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644140 772656397 /nfs/dbraw/zinc/65/63/97/772656397.db2.gz FQDRIGQMBQOKFK-HOTGVXAUSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190644140 772656400 /nfs/dbraw/zinc/65/64/00/772656400.db2.gz FQDRIGQMBQOKFK-HOTGVXAUSA-N 2 1 317.437 0.369 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190776920 772676939 /nfs/dbraw/zinc/67/69/39/772676939.db2.gz RBIDHLRWSNBOJW-CVEARBPZSA-N 2 1 309.454 0.755 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191784372 772827000 /nfs/dbraw/zinc/82/70/00/772827000.db2.gz CKTNMTZNDBZPBO-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191784372 772827002 /nfs/dbraw/zinc/82/70/02/772827002.db2.gz CKTNMTZNDBZPBO-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191784372 772827005 /nfs/dbraw/zinc/82/70/05/772827005.db2.gz CKTNMTZNDBZPBO-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191784372 772827008 /nfs/dbraw/zinc/82/70/08/772827008.db2.gz CKTNMTZNDBZPBO-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+]2CCC[C@H]2C)C1=O ZINC001166627064 772831163 /nfs/dbraw/zinc/83/11/63/772831163.db2.gz PALYLVTUWZJNQM-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030576 772860482 /nfs/dbraw/zinc/86/04/82/772860482.db2.gz RUOAJTBERYHVND-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001192788013 772958389 /nfs/dbraw/zinc/95/83/89/772958389.db2.gz KICYTAFDKHTVCA-MRXNPFEDSA-N 2 1 317.437 0.614 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979463 773155195 /nfs/dbraw/zinc/15/51/95/773155195.db2.gz XYSIIYITSKKUCM-DJIMGWMZSA-N 2 1 319.449 0.415 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206993321 773159152 /nfs/dbraw/zinc/15/91/52/773159152.db2.gz VUADCKDSVQMVFO-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206993321 773159154 /nfs/dbraw/zinc/15/91/54/773159154.db2.gz VUADCKDSVQMVFO-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206993321 773159156 /nfs/dbraw/zinc/15/91/56/773159156.db2.gz VUADCKDSVQMVFO-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCOCC)C2)CC1 ZINC001194245486 773167523 /nfs/dbraw/zinc/16/75/23/773167523.db2.gz AYBGQBFCAKEBNU-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706143 773277553 /nfs/dbraw/zinc/27/75/53/773277553.db2.gz PTJIRZYTINAUNF-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194962176 773293154 /nfs/dbraw/zinc/29/31/54/773293154.db2.gz WNTHHGWECMWJHS-HZPDHXFCSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194962176 773293162 /nfs/dbraw/zinc/29/31/62/773293162.db2.gz WNTHHGWECMWJHS-HZPDHXFCSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208639389 773508954 /nfs/dbraw/zinc/50/89/54/773508954.db2.gz QHUWJSBFSJFFHI-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC001196191786 773546583 /nfs/dbraw/zinc/54/65/83/773546583.db2.gz MKGOOHHYIMMNRD-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCOC)CC1 ZINC001196191786 773546587 /nfs/dbraw/zinc/54/65/87/773546587.db2.gz MKGOOHHYIMMNRD-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCOC)CC1 ZINC001196191786 773546594 /nfs/dbraw/zinc/54/65/94/773546594.db2.gz MKGOOHHYIMMNRD-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCOC)CC1 ZINC001196191786 773546598 /nfs/dbraw/zinc/54/65/98/773546598.db2.gz MKGOOHHYIMMNRD-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCOCC[N@@H+]1CCCN(C(=O)Cn2cncc2C)CC1 ZINC001196506800 773604517 /nfs/dbraw/zinc/60/45/17/773604517.db2.gz IKEGYZDMQPFLQA-UHFFFAOYSA-N 2 1 306.410 0.928 20 30 DCEDMP C=CCOCC[N@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001196506800 773604521 /nfs/dbraw/zinc/60/45/21/773604521.db2.gz IKEGYZDMQPFLQA-UHFFFAOYSA-N 2 1 306.410 0.928 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209632215 773627383 /nfs/dbraw/zinc/62/73/83/773627383.db2.gz LFAFLOITQGYYJF-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199827343 774219046 /nfs/dbraw/zinc/21/90/46/774219046.db2.gz VFWBQTMMEXUJAN-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001201066232 774441668 /nfs/dbraw/zinc/44/16/68/774441668.db2.gz ITKZUDVMQYWJOR-UHFFFAOYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803907 774614718 /nfs/dbraw/zinc/61/47/18/774614718.db2.gz HNYWIDXSXKNLKO-KFWWJZLASA-N 2 1 318.421 0.888 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803907 774614723 /nfs/dbraw/zinc/61/47/23/774614723.db2.gz HNYWIDXSXKNLKO-KFWWJZLASA-N 2 1 318.421 0.888 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114442831 774869962 /nfs/dbraw/zinc/86/99/62/774869962.db2.gz OWCNOKJBTZZGPJ-JJXSEGSLSA-N 2 1 309.454 0.822 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130041 775539345 /nfs/dbraw/zinc/53/93/45/775539345.db2.gz LZFFQEHZIGMFLS-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130041 775539349 /nfs/dbraw/zinc/53/93/49/775539349.db2.gz LZFFQEHZIGMFLS-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130041 775539362 /nfs/dbraw/zinc/53/93/62/775539362.db2.gz LZFFQEHZIGMFLS-IKGGRYGDSA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001098506288 775656024 /nfs/dbraw/zinc/65/60/24/775656024.db2.gz QVXMCQADFAWLKX-UHFFFAOYSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784535 775668583 /nfs/dbraw/zinc/66/85/83/775668583.db2.gz XMCDKDUBMDDJDJ-TUBVSAOGSA-N 2 1 317.433 0.757 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001095784535 775668587 /nfs/dbraw/zinc/66/85/87/775668587.db2.gz XMCDKDUBMDDJDJ-TUBVSAOGSA-N 2 1 317.433 0.757 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001095784535 775668589 /nfs/dbraw/zinc/66/85/89/775668589.db2.gz XMCDKDUBMDDJDJ-TUBVSAOGSA-N 2 1 317.433 0.757 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317811585 945192417 /nfs/dbraw/zinc/19/24/17/945192417.db2.gz OVGSLNUZBQJFJQ-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317811585 945192419 /nfs/dbraw/zinc/19/24/19/945192419.db2.gz OVGSLNUZBQJFJQ-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317811585 945192422 /nfs/dbraw/zinc/19/24/22/945192422.db2.gz OVGSLNUZBQJFJQ-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001282498506 939085389 /nfs/dbraw/zinc/08/53/89/939085389.db2.gz YJISQBBKGCQYQT-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001266743593 939226036 /nfs/dbraw/zinc/22/60/36/939226036.db2.gz JRUMLKKPEUNULH-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266883958 939265512 /nfs/dbraw/zinc/26/55/12/939265512.db2.gz IHJFEHGHAFCVJF-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001493278893 939305973 /nfs/dbraw/zinc/30/59/73/939305973.db2.gz FPIAPLLGAQJPRD-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001493278893 939305977 /nfs/dbraw/zinc/30/59/77/939305977.db2.gz FPIAPLLGAQJPRD-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001493278893 939305982 /nfs/dbraw/zinc/30/59/82/939305982.db2.gz FPIAPLLGAQJPRD-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267020967 939312338 /nfs/dbraw/zinc/31/23/38/939312338.db2.gz UGRDRGYAQUFITB-INIZCTEOSA-N 2 1 318.421 0.812 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267056553 939325682 /nfs/dbraw/zinc/32/56/82/939325682.db2.gz YFROTVKDSPEZMG-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267213629 939389567 /nfs/dbraw/zinc/38/95/67/939389567.db2.gz SFDKXRVINSAQRH-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267213629 939389570 /nfs/dbraw/zinc/38/95/70/939389570.db2.gz SFDKXRVINSAQRH-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267213629 939389572 /nfs/dbraw/zinc/38/95/72/939389572.db2.gz SFDKXRVINSAQRH-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267213629 939389574 /nfs/dbraw/zinc/38/95/74/939389574.db2.gz SFDKXRVINSAQRH-KKUMJFAQSA-N 2 1 324.469 0.455 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001267310569 939421892 /nfs/dbraw/zinc/42/18/92/939421892.db2.gz YBGYNQOBQFDKGW-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CCOC)C2)CC1 ZINC001267595663 939537301 /nfs/dbraw/zinc/53/73/01/939537301.db2.gz JYEJGMKLDQXJBY-MRXNPFEDSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CCCC[C@@H]1C ZINC001267872393 939698210 /nfs/dbraw/zinc/69/82/10/939698210.db2.gz CHBCPNDZSSMVNA-WMZOPIPTSA-N 2 1 321.465 0.997 20 30 DCEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001481330225 939751050 /nfs/dbraw/zinc/75/10/50/939751050.db2.gz OPCXDFFJUGVHJN-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001481330225 939751054 /nfs/dbraw/zinc/75/10/54/939751054.db2.gz OPCXDFFJUGVHJN-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001481489841 939900219 /nfs/dbraw/zinc/90/02/19/939900219.db2.gz ZZSBPMYTNOATEE-HZPDHXFCSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H]1CCCOC1 ZINC001268648833 940316440 /nfs/dbraw/zinc/31/64/40/940316440.db2.gz YEPQAYFNFABHAV-OAGGEKHMSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H]1CCCOC1 ZINC001268648833 940316442 /nfs/dbraw/zinc/31/64/42/940316442.db2.gz YEPQAYFNFABHAV-OAGGEKHMSA-N 2 1 307.438 0.605 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CC#CCOC)C2)C1 ZINC001318349285 945327886 /nfs/dbraw/zinc/32/78/86/945327886.db2.gz HVBIWMLWSMWZMD-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CC#CCOC)C2)C1 ZINC001318349285 945327895 /nfs/dbraw/zinc/32/78/95/945327895.db2.gz HVBIWMLWSMWZMD-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC#CCOC)C2)C1 ZINC001318349285 945327903 /nfs/dbraw/zinc/32/79/03/945327903.db2.gz HVBIWMLWSMWZMD-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC#CCOC)C2)C1 ZINC001318349285 945327912 /nfs/dbraw/zinc/32/79/12/945327912.db2.gz HVBIWMLWSMWZMD-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCC1 ZINC001482232665 940737362 /nfs/dbraw/zinc/73/73/62/940737362.db2.gz OYXWGVQJGOYXAG-UHFFFAOYSA-N 2 1 307.438 0.751 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001482238191 940758222 /nfs/dbraw/zinc/75/82/22/940758222.db2.gz JGHDBKWVXFBPRG-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001482238191 940758224 /nfs/dbraw/zinc/75/82/24/940758224.db2.gz JGHDBKWVXFBPRG-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001271209162 941322429 /nfs/dbraw/zinc/32/24/29/941322429.db2.gz MDWLIZWWWCPICA-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271209162 941322432 /nfs/dbraw/zinc/32/24/32/941322432.db2.gz MDWLIZWWWCPICA-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271209162 941322436 /nfs/dbraw/zinc/32/24/36/941322436.db2.gz MDWLIZWWWCPICA-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001272520335 942799897 /nfs/dbraw/zinc/79/98/97/942799897.db2.gz HGSODYBRZQIBCK-BBRMVZONSA-N 2 1 313.417 0.289 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484042957 943112638 /nfs/dbraw/zinc/11/26/38/943112638.db2.gz CXDIANDTNWXJRG-FUHWJXTLSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001484222100 943215835 /nfs/dbraw/zinc/21/58/35/943215835.db2.gz BCEWXLKQDYHEGG-PBHICJAKSA-N 2 1 316.405 0.022 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484436099 943379754 /nfs/dbraw/zinc/37/97/54/943379754.db2.gz UHEYNCDKXPXPGX-RDJZCZTQSA-N 2 1 307.438 0.457 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001485533438 943990548 /nfs/dbraw/zinc/99/05/48/943990548.db2.gz QHJRQYGYNJJAOO-AWEZNQCLSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC ZINC001276762338 944289977 /nfs/dbraw/zinc/28/99/77/944289977.db2.gz QQBPXWBSQXDSIV-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C[NH+](C)C1(C(=O)NCCC[NH+]2CCN(CC#N)CC2)CCC1 ZINC001316958851 944683363 /nfs/dbraw/zinc/68/33/63/944683363.db2.gz LZGREZKVBFLYBB-UHFFFAOYSA-N 2 1 307.442 0.118 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317300925 944909454 /nfs/dbraw/zinc/90/94/54/944909454.db2.gz LBXJTIROFOBDMI-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001319196843 945518417 /nfs/dbraw/zinc/51/84/17/945518417.db2.gz NODRTPDCMXRSQB-HOCLYGCPSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001319196843 945518425 /nfs/dbraw/zinc/51/84/25/945518425.db2.gz NODRTPDCMXRSQB-HOCLYGCPSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001273261970 946343366 /nfs/dbraw/zinc/34/33/66/946343366.db2.gz ZXLKWPIXRSIUKP-HOTGVXAUSA-N 2 1 307.438 0.700 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001278786878 946400336 /nfs/dbraw/zinc/40/03/36/946400336.db2.gz KSOCTSPGZUIKTC-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001278786878 946400344 /nfs/dbraw/zinc/40/03/44/946400344.db2.gz KSOCTSPGZUIKTC-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001278786878 946400352 /nfs/dbraw/zinc/40/03/52/946400352.db2.gz KSOCTSPGZUIKTC-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001279045195 946767890 /nfs/dbraw/zinc/76/78/90/946767890.db2.gz SDMRUAKPWIPVBS-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001279045195 946767897 /nfs/dbraw/zinc/76/78/97/946767897.db2.gz SDMRUAKPWIPVBS-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CCOC ZINC001279045195 946767904 /nfs/dbraw/zinc/76/79/04/946767904.db2.gz SDMRUAKPWIPVBS-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CCOC ZINC001279045195 946767909 /nfs/dbraw/zinc/76/79/09/946767909.db2.gz SDMRUAKPWIPVBS-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC#CCOC)C1 ZINC001325456312 947800570 /nfs/dbraw/zinc/80/05/70/947800570.db2.gz NWEKFKIAESVZNE-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001263099669 947807976 /nfs/dbraw/zinc/80/79/76/947807976.db2.gz QUJLMEHDNZHFEK-HUUCEWRRSA-N 2 1 324.469 0.729 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273753214 948067109 /nfs/dbraw/zinc/06/71/09/948067109.db2.gz SGXZESYWOVQIJJ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001494909836 948360261 /nfs/dbraw/zinc/36/02/61/948360261.db2.gz LLNSILSQBAXENT-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001494909836 948360270 /nfs/dbraw/zinc/36/02/70/948360270.db2.gz LLNSILSQBAXENT-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001328284094 948806530 /nfs/dbraw/zinc/80/65/30/948806530.db2.gz NYLUJCNSDCYILK-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001328284094 948806546 /nfs/dbraw/zinc/80/65/46/948806546.db2.gz NYLUJCNSDCYILK-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001328284094 948806561 /nfs/dbraw/zinc/80/65/61/948806561.db2.gz NYLUJCNSDCYILK-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001264395382 948957742 /nfs/dbraw/zinc/95/77/42/948957742.db2.gz SEIRLQDGKKOHEO-OWCLPIDISA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001328799214 949102080 /nfs/dbraw/zinc/10/20/80/949102080.db2.gz VXGQAXVHSVJJTK-MRXNPFEDSA-N 2 1 318.421 0.764 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001328799214 949102089 /nfs/dbraw/zinc/10/20/89/949102089.db2.gz VXGQAXVHSVJJTK-MRXNPFEDSA-N 2 1 318.421 0.764 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)COC)C1 ZINC001488834078 949296639 /nfs/dbraw/zinc/29/66/39/949296639.db2.gz FPIUQWSFGHRNAJ-FPCVCCKLSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)COC)C1 ZINC001488834078 949296660 /nfs/dbraw/zinc/29/66/60/949296660.db2.gz FPIUQWSFGHRNAJ-FPCVCCKLSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCOCC)C2)CC1 ZINC001265235458 949478142 /nfs/dbraw/zinc/47/81/42/949478142.db2.gz PSXITCAIIJQFOA-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265983023 950227049 /nfs/dbraw/zinc/22/70/49/950227049.db2.gz LKJIIOHEWRDXFJ-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCO1 ZINC001280631872 951009178 /nfs/dbraw/zinc/00/91/78/951009178.db2.gz ZEUATJWYFVJSRH-HOCLYGCPSA-N 2 1 316.405 0.204 20 30 DCEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCCC#N)C2 ZINC001274039599 951352845 /nfs/dbraw/zinc/35/28/45/951352845.db2.gz HPCIWHPJENDTHT-INIZCTEOSA-N 2 1 308.426 0.403 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC001332408436 951634129 /nfs/dbraw/zinc/63/41/29/951634129.db2.gz PCCDSZDCWXLGQV-RDJZCZTQSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001332408436 951634135 /nfs/dbraw/zinc/63/41/35/951634135.db2.gz PCCDSZDCWXLGQV-RDJZCZTQSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001332408436 951634142 /nfs/dbraw/zinc/63/41/42/951634142.db2.gz PCCDSZDCWXLGQV-RDJZCZTQSA-N 2 1 304.438 0.821 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001332408436 951634144 /nfs/dbraw/zinc/63/41/44/951634144.db2.gz PCCDSZDCWXLGQV-RDJZCZTQSA-N 2 1 304.438 0.821 20 30 DCEDMP C=C[C@](C)(O)C[N@@H+]1CCC[C@@]12CCN(Cc1cncn1C)C2=O ZINC001274617278 951744190 /nfs/dbraw/zinc/74/41/90/951744190.db2.gz WTVOQKLPRAZDPP-IRXDYDNUSA-N 2 1 318.421 0.924 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001274944051 951904584 /nfs/dbraw/zinc/90/45/84/951904584.db2.gz NWEHYJWVXKYXII-HUUCEWRRSA-N 2 1 324.469 0.646 20 30 DCEDMP C#CC[NH2+]C1CC(N(C)C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001333128225 951926497 /nfs/dbraw/zinc/92/64/97/951926497.db2.gz IUAUJAATOVBGDP-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001275560666 952263070 /nfs/dbraw/zinc/26/30/70/952263070.db2.gz SDRKCBNJIRTTGH-CQSZACIVSA-N 2 1 305.426 0.518 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001275729039 952411483 /nfs/dbraw/zinc/41/14/83/952411483.db2.gz JKPOVHUIZQRCEX-UKRRQHHQSA-N 2 1 322.453 0.032 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001275828243 952484003 /nfs/dbraw/zinc/48/40/03/952484003.db2.gz VYHXDFFVABGFSL-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001275828243 952484005 /nfs/dbraw/zinc/48/40/05/952484005.db2.gz VYHXDFFVABGFSL-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001275828243 952484007 /nfs/dbraw/zinc/48/40/07/952484007.db2.gz VYHXDFFVABGFSL-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001275849940 952494629 /nfs/dbraw/zinc/49/46/29/952494629.db2.gz JZUCWMOTHQOPII-UONOGXRCSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001275849940 952494633 /nfs/dbraw/zinc/49/46/33/952494633.db2.gz JZUCWMOTHQOPII-UONOGXRCSA-N 2 1 324.469 0.598 20 30 DCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001282392043 953566708 /nfs/dbraw/zinc/56/67/08/953566708.db2.gz UIEHDNWHDDSOTA-CQSZACIVSA-N 2 1 305.426 0.518 20 30 DCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001283191910 954119456 /nfs/dbraw/zinc/11/94/56/954119456.db2.gz MDNIQILUXFZMAM-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001283763261 954588752 /nfs/dbraw/zinc/58/87/52/954588752.db2.gz HDRBTUSJUXFWTD-GOEBONIOSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(=C)Cl)CC1 ZINC001283830879 954642060 /nfs/dbraw/zinc/64/20/60/954642060.db2.gz HNMLGYSFIXTGSM-AWEZNQCLSA-N 2 1 313.829 0.151 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001283998176 954762690 /nfs/dbraw/zinc/76/26/90/954762690.db2.gz GSBVKAAOECRTDE-JSGCOSHPSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001284130918 954871120 /nfs/dbraw/zinc/87/11/20/954871120.db2.gz XZDVHYVUDSORFK-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001284130918 954871130 /nfs/dbraw/zinc/87/11/30/954871130.db2.gz XZDVHYVUDSORFK-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284492768 955127380 /nfs/dbraw/zinc/12/73/80/955127380.db2.gz MJPMLVUTNMCCCA-HZPDHXFCSA-N 2 1 309.454 0.655 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001284614099 955202011 /nfs/dbraw/zinc/20/20/11/955202011.db2.gz MJRUBUFNBMZFBX-ZIAGYGMSSA-N 2 1 324.469 0.503 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2C#N)C1 ZINC001367626850 958216789 /nfs/dbraw/zinc/21/67/89/958216789.db2.gz QNWGYGNIYBFCND-CVEARBPZSA-N 2 1 316.405 0.077 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC001492293921 959857443 /nfs/dbraw/zinc/85/74/43/959857443.db2.gz QVSYWFBBHQHGAG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H]1CCCCO1 ZINC001492293921 959857457 /nfs/dbraw/zinc/85/74/57/959857457.db2.gz QVSYWFBBHQHGAG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H]1CCCCO1 ZINC001492293921 959857469 /nfs/dbraw/zinc/85/74/69/959857469.db2.gz QVSYWFBBHQHGAG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H]1CCCCO1 ZINC001492293921 959857479 /nfs/dbraw/zinc/85/74/79/959857479.db2.gz QVSYWFBBHQHGAG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001381317701 963968544 /nfs/dbraw/zinc/96/85/44/963968544.db2.gz GBDNODJDSGHOQN-WXRRBKDZSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001381317701 963968549 /nfs/dbraw/zinc/96/85/49/963968549.db2.gz GBDNODJDSGHOQN-WXRRBKDZSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001390603367 990236219 /nfs/dbraw/zinc/23/62/19/990236219.db2.gz MRJVKMYFBKOJLK-ZIAGYGMSSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001390603367 990236224 /nfs/dbraw/zinc/23/62/24/990236224.db2.gz MRJVKMYFBKOJLK-ZIAGYGMSSA-N 2 1 315.845 0.898 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001502573348 1015979444 /nfs/dbraw/zinc/97/94/44/1015979444.db2.gz NFERXSUNWYAXDU-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001502829943 1016091269 /nfs/dbraw/zinc/09/12/69/1016091269.db2.gz BDOCWIZBCMURGP-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001502829943 1016091282 /nfs/dbraw/zinc/09/12/82/1016091282.db2.gz BDOCWIZBCMURGP-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001502829943 1016091294 /nfs/dbraw/zinc/09/12/94/1016091294.db2.gz BDOCWIZBCMURGP-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1cc(C#N)ccc1F ZINC001403699217 1002378711 /nfs/dbraw/zinc/37/87/11/1002378711.db2.gz JVGCUGVCLMETNA-CQSZACIVSA-N 2 1 322.384 0.216 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001440327092 1007675406 /nfs/dbraw/zinc/67/54/06/1007675406.db2.gz SYFSMAYBOPYPRX-OKILXGFUSA-N 2 1 315.845 0.946 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001423187727 1010956461 /nfs/dbraw/zinc/95/64/61/1010956461.db2.gz FODIARMRNAEMRQ-HOTGVXAUSA-N 2 1 316.405 0.219 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001423541170 1011236508 /nfs/dbraw/zinc/23/65/08/1011236508.db2.gz CRQOWOZKSKQXAQ-OLZOCXBDSA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001423541170 1011236518 /nfs/dbraw/zinc/23/65/18/1011236518.db2.gz CRQOWOZKSKQXAQ-OLZOCXBDSA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423541170 1011236534 /nfs/dbraw/zinc/23/65/34/1011236534.db2.gz CRQOWOZKSKQXAQ-OLZOCXBDSA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423541170 1011236545 /nfs/dbraw/zinc/23/65/45/1011236545.db2.gz CRQOWOZKSKQXAQ-OLZOCXBDSA-N 2 1 303.834 0.442 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445271427 1011601711 /nfs/dbraw/zinc/60/17/11/1011601711.db2.gz RBUCIGVGPCFLAV-MRXNPFEDSA-N 2 1 318.421 0.465 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001479654689 1017632269 /nfs/dbraw/zinc/63/22/69/1017632269.db2.gz NPGLGFPHLFLITM-MRXNPFEDSA-N 2 1 319.449 0.533 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494836117 1018090381 /nfs/dbraw/zinc/09/03/81/1018090381.db2.gz FPJNBDXHSSIYJQ-OAHLLOKOSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494836117 1018090394 /nfs/dbraw/zinc/09/03/94/1018090394.db2.gz FPJNBDXHSSIYJQ-OAHLLOKOSA-N 2 1 306.410 0.927 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001480088502 1018192239 /nfs/dbraw/zinc/19/22/39/1018192239.db2.gz ZGNGRRSUULBYKK-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001480088502 1018192247 /nfs/dbraw/zinc/19/22/47/1018192247.db2.gz ZGNGRRSUULBYKK-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001480088502 1018192254 /nfs/dbraw/zinc/19/22/54/1018192254.db2.gz ZGNGRRSUULBYKK-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001480088502 1018192260 /nfs/dbraw/zinc/19/22/60/1018192260.db2.gz ZGNGRRSUULBYKK-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001495109720 1018320668 /nfs/dbraw/zinc/32/06/68/1018320668.db2.gz XIUROBIGZPMTRS-QWHCGFSZSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001495109720 1018320681 /nfs/dbraw/zinc/32/06/81/1018320681.db2.gz XIUROBIGZPMTRS-QWHCGFSZSA-N 2 1 303.834 0.944 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001497766212 1018399362 /nfs/dbraw/zinc/39/93/62/1018399362.db2.gz UKUXVMLGPMZIBF-JFDDCEBESA-N 2 1 307.438 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500542955 1018486276 /nfs/dbraw/zinc/48/62/76/1018486276.db2.gz PAFOVFMSYHYZAV-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCOCC1 ZINC001500589967 1018502298 /nfs/dbraw/zinc/50/22/98/1018502298.db2.gz WMEAHGIOKQQNIU-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001495682955 1018647560 /nfs/dbraw/zinc/64/75/60/1018647560.db2.gz NHSMYMKKPPLXKN-HOCLYGCPSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001495682955 1018647565 /nfs/dbraw/zinc/64/75/65/1018647565.db2.gz NHSMYMKKPPLXKN-HOCLYGCPSA-N 2 1 317.437 0.360 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001480624492 1018720364 /nfs/dbraw/zinc/72/03/64/1018720364.db2.gz APQJQEIBUZEAQY-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001496921681 1019761345 /nfs/dbraw/zinc/76/13/45/1019761345.db2.gz AGOCKMHTXRMXSR-HOTGVXAUSA-N 2 1 309.454 0.851 20 30 DCEDMP CN(C)c1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000269949557 529787377 /nfs/dbraw/zinc/78/73/77/529787377.db2.gz IVGYICSAHKWOIS-UHFFFAOYSA-N 2 1 320.441 0.274 20 30 DCEDMP C[NH+](CC#CC[N@@H+](C)CCn1cccn1)CCn1cccn1 ZINC000276326093 529822888 /nfs/dbraw/zinc/82/28/88/529822888.db2.gz PUUFUZOYRJHLMZ-UHFFFAOYSA-N 2 1 300.410 0.647 20 30 DCEDMP C[N@@H+]1CC=C(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000263137030 530047271 /nfs/dbraw/zinc/04/72/71/530047271.db2.gz INBKDSSFPUGWBQ-UHFFFAOYSA-N 2 1 315.425 0.175 20 30 DCEDMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594661454 396495489 /nfs/dbraw/zinc/49/54/89/396495489.db2.gz ZRLJFLMBBODKJN-ZIAGYGMSSA-N 2 1 306.410 0.691 20 30 DCEDMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594661454 396495491 /nfs/dbraw/zinc/49/54/91/396495491.db2.gz ZRLJFLMBBODKJN-ZIAGYGMSSA-N 2 1 306.410 0.691 20 30 DCEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000598718490 397283893 /nfs/dbraw/zinc/28/38/93/397283893.db2.gz FLUVPLIQSGVDGS-CVEARBPZSA-N 2 1 324.469 0.283 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736834 397436186 /nfs/dbraw/zinc/43/61/86/397436186.db2.gz MUVQAWDDVMTROG-BFHYXJOUSA-N 2 1 324.425 0.217 20 30 DCEDMP C#CCNC(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000491202241 397501301 /nfs/dbraw/zinc/50/13/01/397501301.db2.gz NAAFPIGMGQLLFH-HOTGVXAUSA-N 2 1 306.454 0.084 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)Cc1ccccc1 ZINC000286902387 415640379 /nfs/dbraw/zinc/64/03/79/415640379.db2.gz PFAFZPBCNIDGDW-MRXNPFEDSA-N 2 1 320.437 0.217 20 30 DCEDMP CNC(NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)=[NH+]C ZINC000108638436 415681057 /nfs/dbraw/zinc/68/10/57/415681057.db2.gz HRAABKQGGQCYNW-HNNXBMFYSA-N 2 1 317.437 0.679 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000294905582 415876657 /nfs/dbraw/zinc/87/66/57/415876657.db2.gz FTULSHNVOCAXTH-ZDUSSCGKSA-N 2 1 309.435 0.940 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000294905582 415876660 /nfs/dbraw/zinc/87/66/60/415876660.db2.gz FTULSHNVOCAXTH-ZDUSSCGKSA-N 2 1 309.435 0.940 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000328276959 416122174 /nfs/dbraw/zinc/12/21/74/416122174.db2.gz OUTFUOJCXIIXCC-MRXNPFEDSA-N 2 1 324.446 0.668 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000328276959 416122177 /nfs/dbraw/zinc/12/21/77/416122177.db2.gz OUTFUOJCXIIXCC-MRXNPFEDSA-N 2 1 324.446 0.668 20 30 DCEDMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330853618 416244113 /nfs/dbraw/zinc/24/41/13/416244113.db2.gz OKJQCKWCCWRPDP-RDBSUJKOSA-N 2 1 300.447 0.628 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000342103717 416282429 /nfs/dbraw/zinc/28/24/29/416282429.db2.gz JMWYNFJHBUIGSO-CYBMUJFWSA-N 2 1 322.453 0.352 20 30 DCEDMP CC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264066227 416338901 /nfs/dbraw/zinc/33/89/01/416338901.db2.gz FFIUNVLRXKCZGL-CQSZACIVSA-N 2 1 319.457 0.692 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000491327986 416596965 /nfs/dbraw/zinc/59/69/65/416596965.db2.gz ZNNGJLGFVZNSKO-HZPDHXFCSA-N 2 1 324.469 0.740 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000491683400 416615525 /nfs/dbraw/zinc/61/55/25/416615525.db2.gz YMIOCYJDIQHEHL-INIZCTEOSA-N 2 1 306.454 0.973 20 30 DCEDMP C=CC[C@@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCC[NH2+]1 ZINC000662756231 417891672 /nfs/dbraw/zinc/89/16/72/417891672.db2.gz ILGVYDXRQHVGNJ-AEFFLSMTSA-N 2 1 320.481 0.923 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000491486878 333108574 /nfs/dbraw/zinc/10/85/74/333108574.db2.gz YSKXZDNRILDRND-UHFFFAOYSA-N 2 1 310.442 0.352 20 30 DCEDMP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000329814960 336085113 /nfs/dbraw/zinc/08/51/13/336085113.db2.gz DYJKJCFMMDMMRY-QLFBSQMISA-N 2 1 324.469 0.938 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000329814960 336085114 /nfs/dbraw/zinc/08/51/14/336085114.db2.gz DYJKJCFMMDMMRY-QLFBSQMISA-N 2 1 324.469 0.938 20 30 DCEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000329814960 336085116 /nfs/dbraw/zinc/08/51/16/336085116.db2.gz DYJKJCFMMDMMRY-QLFBSQMISA-N 2 1 324.469 0.938 20 30 DCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330175555 336120773 /nfs/dbraw/zinc/12/07/73/336120773.db2.gz JEJNORYNKATOMG-OAGGEKHMSA-N 2 1 324.469 0.962 20 30 DCEDMP Cc1[nH+]ccn1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582721219 337125020 /nfs/dbraw/zinc/12/50/20/337125020.db2.gz XNSSFSGBIVJUKX-UHFFFAOYSA-N 2 1 319.390 0.522 20 30 DCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436060910 338256878 /nfs/dbraw/zinc/25/68/78/338256878.db2.gz SCSHXJDIYQXMPH-OAHLLOKOSA-N 2 1 322.453 0.507 20 30 DCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436060910 338256879 /nfs/dbraw/zinc/25/68/79/338256879.db2.gz SCSHXJDIYQXMPH-OAHLLOKOSA-N 2 1 322.453 0.507 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000173199733 340360144 /nfs/dbraw/zinc/36/01/44/340360144.db2.gz BSBDFFRPLJHYPT-UHFFFAOYSA-N 2 1 312.458 0.904 20 30 DCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000576747688 341861213 /nfs/dbraw/zinc/86/12/13/341861213.db2.gz BCYJUUOBPGTQEG-HNNXBMFYSA-N 2 1 323.397 0.782 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001566965967 1160195551 /nfs/dbraw/zinc/19/55/51/1160195551.db2.gz PHDPIAXKLGUQRJ-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CCN1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567921910 1160535188 /nfs/dbraw/zinc/53/51/88/1160535188.db2.gz IVRREIBKQMUPIU-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567921910 1160535193 /nfs/dbraw/zinc/53/51/93/1160535193.db2.gz IVRREIBKQMUPIU-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567921910 1160535200 /nfs/dbraw/zinc/53/52/00/1160535200.db2.gz IVRREIBKQMUPIU-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567921910 1160535213 /nfs/dbraw/zinc/53/52/13/1160535213.db2.gz IVRREIBKQMUPIU-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569122083 1160949891 /nfs/dbraw/zinc/94/98/91/1160949891.db2.gz VNVIEALUSGQBKO-UONOGXRCSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569122083 1160949896 /nfs/dbraw/zinc/94/98/96/1160949896.db2.gz VNVIEALUSGQBKO-UONOGXRCSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001569750926 1161222997 /nfs/dbraw/zinc/22/29/97/1161222997.db2.gz HBHHHWAPBAEQLS-INIZCTEOSA-N 2 1 309.454 0.990 20 30 DCEDMP C[NH+]=C(NCCN1CCOC[C@@H]1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261990759 526360122 /nfs/dbraw/zinc/36/01/22/526360122.db2.gz REMQNBALUBSKNL-OFQRWUPVSA-N 2 1 323.485 0.355 20 30 DCEDMP C[NH+]=C(NCCn1cc(C)cn1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261995996 526367163 /nfs/dbraw/zinc/36/71/63/526367163.db2.gz SKZDERQQXQVDES-HIFRSBDPSA-N 2 1 304.442 0.839 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261671267 526369779 /nfs/dbraw/zinc/36/97/79/526369779.db2.gz BZXDBPTWSAEOPD-LSDHHAIUSA-N 2 1 320.441 0.463 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261817251 526370308 /nfs/dbraw/zinc/37/03/08/526370308.db2.gz UCFZITPGAFDYPG-CVEARBPZSA-N 2 1 324.469 0.785 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261671265 526370456 /nfs/dbraw/zinc/37/04/56/526370456.db2.gz BZXDBPTWSAEOPD-GJZGRUSLSA-N 2 1 320.441 0.463 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000154344614 526382291 /nfs/dbraw/zinc/38/22/91/526382291.db2.gz RXYARGIWTJEHSD-GHMZBOCLSA-N 2 1 319.409 0.669 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000357979805 526417156 /nfs/dbraw/zinc/41/71/56/526417156.db2.gz LALJEEYOPMXPHU-UHFFFAOYSA-N 2 1 319.409 0.074 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000170908000 528012169 /nfs/dbraw/zinc/01/21/69/528012169.db2.gz RWMGRNLKGHEQCD-ZDUSSCGKSA-N 2 1 300.472 0.707 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCO)CC1 ZINC001671464938 1175013745 /nfs/dbraw/zinc/01/37/45/1175013745.db2.gz DNHKWIQMSBXTTI-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981686572 661194877 /nfs/dbraw/zinc/19/48/77/661194877.db2.gz UEUFKZSUEARYNI-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981686572 661194880 /nfs/dbraw/zinc/19/48/80/661194880.db2.gz UEUFKZSUEARYNI-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686572 661194882 /nfs/dbraw/zinc/19/48/82/661194882.db2.gz UEUFKZSUEARYNI-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686572 661194883 /nfs/dbraw/zinc/19/48/83/661194883.db2.gz UEUFKZSUEARYNI-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028192230 661269124 /nfs/dbraw/zinc/26/91/24/661269124.db2.gz GQQIFHBQPFQASL-HNNXBMFYSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001021285909 657547181 /nfs/dbraw/zinc/54/71/81/657547181.db2.gz WXCNXILFALXRAJ-UYTSQGDYSA-N 2 1 305.422 0.188 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021285909 657547186 /nfs/dbraw/zinc/54/71/86/657547186.db2.gz WXCNXILFALXRAJ-UYTSQGDYSA-N 2 1 305.422 0.188 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001021285909 657547192 /nfs/dbraw/zinc/54/71/92/657547192.db2.gz WXCNXILFALXRAJ-UYTSQGDYSA-N 2 1 305.422 0.188 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001021285909 657547197 /nfs/dbraw/zinc/54/71/97/657547197.db2.gz WXCNXILFALXRAJ-UYTSQGDYSA-N 2 1 305.422 0.188 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnns2)C1 ZINC001022220737 657565731 /nfs/dbraw/zinc/56/57/31/657565731.db2.gz MEUOUWSVXWUIAP-SCRDCRAPSA-N 2 1 319.434 0.373 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnns2)C1 ZINC001022220737 657565736 /nfs/dbraw/zinc/56/57/36/657565736.db2.gz MEUOUWSVXWUIAP-SCRDCRAPSA-N 2 1 319.434 0.373 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC001022221189 657568195 /nfs/dbraw/zinc/56/81/95/657568195.db2.gz ZSQBGMQNMLRYAL-ZNMIVQPWSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC001022221189 657568199 /nfs/dbraw/zinc/56/81/99/657568199.db2.gz ZSQBGMQNMLRYAL-ZNMIVQPWSA-N 2 1 316.405 0.817 20 30 DCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561642 658717792 /nfs/dbraw/zinc/71/77/92/658717792.db2.gz UFNDSSRUNCLABG-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561642 658717795 /nfs/dbraw/zinc/71/77/95/658717795.db2.gz UFNDSSRUNCLABG-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561642 658717799 /nfs/dbraw/zinc/71/77/99/658717799.db2.gz UFNDSSRUNCLABG-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561642 658717800 /nfs/dbraw/zinc/71/78/00/658717800.db2.gz UFNDSSRUNCLABG-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000949526242 658728438 /nfs/dbraw/zinc/72/84/38/658728438.db2.gz KVTVXAYVUIBIPW-UHFFFAOYSA-N 2 1 307.438 0.962 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972410618 658733321 /nfs/dbraw/zinc/73/33/21/658733321.db2.gz TWIHOMWQXWFCQL-KRWDZBQOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972410618 658733325 /nfs/dbraw/zinc/73/33/25/658733325.db2.gz TWIHOMWQXWFCQL-KRWDZBQOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024809082 658791986 /nfs/dbraw/zinc/79/19/86/658791986.db2.gz NCHUMPOHGMNQLI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024809082 658791989 /nfs/dbraw/zinc/79/19/89/658791989.db2.gz NCHUMPOHGMNQLI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024809082 658791991 /nfs/dbraw/zinc/79/19/91/658791991.db2.gz NCHUMPOHGMNQLI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024809082 658791995 /nfs/dbraw/zinc/79/19/95/658791995.db2.gz NCHUMPOHGMNQLI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001026297448 659135830 /nfs/dbraw/zinc/13/58/30/659135830.db2.gz DPEMJZQCQSAPPN-AEGPPILISA-N 2 1 316.405 0.810 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799062 659565353 /nfs/dbraw/zinc/56/53/53/659565353.db2.gz REMFUFQRYVSGAC-OWYFMNJBSA-N 2 1 305.422 0.472 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025799062 659565354 /nfs/dbraw/zinc/56/53/54/659565354.db2.gz REMFUFQRYVSGAC-OWYFMNJBSA-N 2 1 305.422 0.472 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849383 659693788 /nfs/dbraw/zinc/69/37/88/659693788.db2.gz GSMCMKYEHCNXEB-QRHJNKNDSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849383 659693791 /nfs/dbraw/zinc/69/37/91/659693791.db2.gz GSMCMKYEHCNXEB-QRHJNKNDSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974849383 659693794 /nfs/dbraw/zinc/69/37/94/659693794.db2.gz GSMCMKYEHCNXEB-QRHJNKNDSA-N 2 1 319.449 0.862 20 30 DCEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046865 665729864 /nfs/dbraw/zinc/72/98/64/665729864.db2.gz WREPQAYWMVUXGF-HIFRSBDPSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046865 665729865 /nfs/dbraw/zinc/72/98/65/665729865.db2.gz WREPQAYWMVUXGF-HIFRSBDPSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046865 665729866 /nfs/dbraw/zinc/72/98/66/665729866.db2.gz WREPQAYWMVUXGF-HIFRSBDPSA-N 2 1 318.425 0.279 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020399 665732433 /nfs/dbraw/zinc/73/24/33/665732433.db2.gz MMJGLFIVILUIPZ-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CC#C)C3)CC1 ZINC000982162322 661298171 /nfs/dbraw/zinc/29/81/71/661298171.db2.gz OGSMKWZBVUCVEX-UHFFFAOYSA-N 2 1 313.445 0.889 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941230750 665946363 /nfs/dbraw/zinc/94/63/63/665946363.db2.gz JYYNPUZUSIILAB-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941230750 665946366 /nfs/dbraw/zinc/94/63/66/665946366.db2.gz JYYNPUZUSIILAB-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230750 665946368 /nfs/dbraw/zinc/94/63/68/665946368.db2.gz JYYNPUZUSIILAB-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230750 665946370 /nfs/dbraw/zinc/94/63/70/665946370.db2.gz JYYNPUZUSIILAB-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000911744442 664105084 /nfs/dbraw/zinc/10/50/84/664105084.db2.gz JKFZNJOMFZOANZ-UHFFFAOYSA-N 2 1 315.373 0.757 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000916841753 665096653 /nfs/dbraw/zinc/09/66/53/665096653.db2.gz HXXZYADPAJTDBQ-CVEARBPZSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCO)[C@H]2C)CC1 ZINC000994495736 665116384 /nfs/dbraw/zinc/11/63/84/665116384.db2.gz GRYVWCOGUYXZAS-DOTOQJQBSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000920421265 665270675 /nfs/dbraw/zinc/27/06/75/665270675.db2.gz KQCDXKCKWHBXQV-UHFFFAOYSA-N 2 1 310.442 0.352 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566536 666023864 /nfs/dbraw/zinc/02/38/64/666023864.db2.gz GOFPTDVIKOOCBT-GOEBONIOSA-N 2 1 306.454 0.199 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566536 666023866 /nfs/dbraw/zinc/02/38/66/666023866.db2.gz GOFPTDVIKOOCBT-GOEBONIOSA-N 2 1 306.454 0.199 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000941665183 666041029 /nfs/dbraw/zinc/04/10/29/666041029.db2.gz DTIMXHJZRRELQB-UHFFFAOYSA-N 2 1 306.454 0.487 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001756637 666098858 /nfs/dbraw/zinc/09/88/58/666098858.db2.gz GCYWRIGWBIRRAL-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)COC)C2)CC1 ZINC001016330924 666217899 /nfs/dbraw/zinc/21/78/99/666217899.db2.gz HRMIXQKKJMVJOH-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922343817 666424290 /nfs/dbraw/zinc/42/42/90/666424290.db2.gz DWLDGRDZPNNGOS-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001033688978 666796907 /nfs/dbraw/zinc/79/69/07/666796907.db2.gz WBMCXEKDBWPKNR-RDJZCZTQSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005426466 666855757 /nfs/dbraw/zinc/85/57/57/666855757.db2.gz URRWXFWHTUZLRS-IRXDYDNUSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001034963205 667204406 /nfs/dbraw/zinc/20/44/06/667204406.db2.gz SVVWCASNWQNQEA-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001034963205 667204410 /nfs/dbraw/zinc/20/44/10/667204410.db2.gz SVVWCASNWQNQEA-BBWFWOEESA-N 2 1 319.449 0.701 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC000884208351 667499147 /nfs/dbraw/zinc/49/91/47/667499147.db2.gz XQENAHQXACRPJK-WCCAFZKYSA-N 2 1 318.421 0.105 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000890363434 668119326 /nfs/dbraw/zinc/11/93/26/668119326.db2.gz ONPWRUQNFKTUKX-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000890363434 668119329 /nfs/dbraw/zinc/11/93/29/668119329.db2.gz ONPWRUQNFKTUKX-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000890363434 668119332 /nfs/dbraw/zinc/11/93/32/668119332.db2.gz ONPWRUQNFKTUKX-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000890363434 668119334 /nfs/dbraw/zinc/11/93/34/668119334.db2.gz ONPWRUQNFKTUKX-JKSUJKDBSA-N 2 1 322.453 0.230 20 30 DCEDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000929953607 668931445 /nfs/dbraw/zinc/93/14/45/668931445.db2.gz QKCRTGGWYXMNQF-UHFFFAOYSA-N 2 1 315.421 0.843 20 30 DCEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)CC#N)CC2)CC1 ZINC000929972604 668933692 /nfs/dbraw/zinc/93/36/92/668933692.db2.gz SAJVWQQVWGPQIC-OAHLLOKOSA-N 2 1 308.426 0.137 20 30 DCEDMP COCC[N@H+](CC(=O)NC1(C#N)CCC1)CC1CC[NH+](C)CC1 ZINC000879127302 668986611 /nfs/dbraw/zinc/98/66/11/668986611.db2.gz VEXRQELXRPOQGC-UHFFFAOYSA-N 2 1 322.453 0.839 20 30 DCEDMP C#CCN1CCOC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949509720 670357284 /nfs/dbraw/zinc/35/72/84/670357284.db2.gz XWQUSUSFGQHNBE-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000854003271 670514365 /nfs/dbraw/zinc/51/43/65/670514365.db2.gz GYTNLROSUTTXEZ-HRCADAONSA-N 2 1 324.469 0.738 20 30 DCEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000854003271 670514368 /nfs/dbraw/zinc/51/43/68/670514368.db2.gz GYTNLROSUTTXEZ-HRCADAONSA-N 2 1 324.469 0.738 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991410 670746010 /nfs/dbraw/zinc/74/60/10/670746010.db2.gz CWVDWXJYRAGIRA-AWEZNQCLSA-N 2 1 315.425 0.963 20 30 DCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000819062778 671090667 /nfs/dbraw/zinc/09/06/67/671090667.db2.gz SWASCYPVHWJJBW-IAGOWNOFSA-N 2 1 324.469 0.426 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000852891598 671188207 /nfs/dbraw/zinc/18/82/07/671188207.db2.gz TZPKTKWAMGQWJF-UHFFFAOYSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[N@H+](CCOC)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000827823621 671537876 /nfs/dbraw/zinc/53/78/76/671537876.db2.gz RNLZHBKGUJHSGD-UHFFFAOYSA-N 2 1 317.437 0.700 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC[C@H]1CCCO1 ZINC000303769877 685206105 /nfs/dbraw/zinc/20/61/05/685206105.db2.gz BHLKPNFACCEYFW-HUUCEWRRSA-N 2 1 312.458 0.961 20 30 DCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303893158 685207943 /nfs/dbraw/zinc/20/79/43/685207943.db2.gz RSEDJXXJNOIAOQ-OAHLLOKOSA-N 2 1 311.474 0.345 20 30 DCEDMP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303893158 685207945 /nfs/dbraw/zinc/20/79/45/685207945.db2.gz RSEDJXXJNOIAOQ-OAHLLOKOSA-N 3 1 311.474 0.345 20 30 DCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303893158 685207948 /nfs/dbraw/zinc/20/79/48/685207948.db2.gz RSEDJXXJNOIAOQ-OAHLLOKOSA-N 3 1 311.474 0.345 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304762901 685212032 /nfs/dbraw/zinc/21/20/32/685212032.db2.gz WDZGZHVTABTHCR-AWEZNQCLSA-N 3 1 311.474 0.486 20 30 DCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N(C)C)CCOCC1 ZINC000304762901 685212036 /nfs/dbraw/zinc/21/20/36/685212036.db2.gz WDZGZHVTABTHCR-AWEZNQCLSA-N 2 1 311.474 0.486 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N(C)C)CCOCC1 ZINC000304762901 685212038 /nfs/dbraw/zinc/21/20/38/685212038.db2.gz WDZGZHVTABTHCR-AWEZNQCLSA-N 2 1 311.474 0.486 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554932 687741337 /nfs/dbraw/zinc/74/13/37/687741337.db2.gz JCSMTWJFBFBGPH-DLBZAZTESA-N 2 1 321.465 0.539 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322180 692263363 /nfs/dbraw/zinc/26/33/63/692263363.db2.gz ASEIBMLGLCKLMY-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015322180 692263369 /nfs/dbraw/zinc/26/33/69/692263369.db2.gz ASEIBMLGLCKLMY-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015322180 692263373 /nfs/dbraw/zinc/26/33/73/692263373.db2.gz ASEIBMLGLCKLMY-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC2)CCCO1 ZINC001073640232 694757812 /nfs/dbraw/zinc/75/78/12/694757812.db2.gz ZYHRPNOIRWETPX-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC2)CCCO1 ZINC001073640232 694757813 /nfs/dbraw/zinc/75/78/13/694757813.db2.gz ZYHRPNOIRWETPX-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CC2)CCCO1 ZINC001073640232 694757814 /nfs/dbraw/zinc/75/78/14/694757814.db2.gz ZYHRPNOIRWETPX-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CC2)CCCO1 ZINC001073640232 694757815 /nfs/dbraw/zinc/75/78/15/694757815.db2.gz ZYHRPNOIRWETPX-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001570545797 1162541358 /nfs/dbraw/zinc/54/13/58/1162541358.db2.gz XZUFVEGVMITXDB-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001570545797 1162541362 /nfs/dbraw/zinc/54/13/62/1162541362.db2.gz XZUFVEGVMITXDB-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001570744380 1162609648 /nfs/dbraw/zinc/60/96/48/1162609648.db2.gz PYMNMUWLIBRUDY-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001570765112 1162616774 /nfs/dbraw/zinc/61/67/74/1162616774.db2.gz NBVBIQMXSCJSRZ-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001570765112 1162616775 /nfs/dbraw/zinc/61/67/75/1162616775.db2.gz NBVBIQMXSCJSRZ-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001571352279 1162715911 /nfs/dbraw/zinc/71/59/11/1162715911.db2.gz FLCOKLSPKVQEPI-JKSUJKDBSA-N 2 1 309.454 0.708 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001571565852 1162812998 /nfs/dbraw/zinc/81/29/98/1162812998.db2.gz HGQZKWMFVDQJPD-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cncc2C)C1 ZINC001691147572 1157597138 /nfs/dbraw/zinc/59/71/38/1157597138.db2.gz BDMIGTDMGJIOMO-HNNXBMFYSA-N 2 1 306.410 0.832 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691147572 1157597143 /nfs/dbraw/zinc/59/71/43/1157597143.db2.gz BDMIGTDMGJIOMO-HNNXBMFYSA-N 2 1 306.410 0.832 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691147572 1157597147 /nfs/dbraw/zinc/59/71/47/1157597147.db2.gz BDMIGTDMGJIOMO-HNNXBMFYSA-N 2 1 306.410 0.832 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NCCC ZINC001691350279 1157649719 /nfs/dbraw/zinc/64/97/19/1157649719.db2.gz VAPCLVBFHXQMHW-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NCCC ZINC001691350279 1157649722 /nfs/dbraw/zinc/64/97/22/1157649722.db2.gz VAPCLVBFHXQMHW-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1=O ZINC001267712173 1157931630 /nfs/dbraw/zinc/93/16/30/1157931630.db2.gz NDPDQSPFMDIXOF-SOUVJXGZSA-N 2 1 320.437 0.010 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001670797222 1158089648 /nfs/dbraw/zinc/08/96/48/1158089648.db2.gz BMVICUSABKQNIN-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001670797222 1158089656 /nfs/dbraw/zinc/08/96/56/1158089656.db2.gz BMVICUSABKQNIN-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001671384333 1158272002 /nfs/dbraw/zinc/27/20/02/1158272002.db2.gz KWEDARQUPFBHSW-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001566626050 1160100733 /nfs/dbraw/zinc/10/07/33/1160100733.db2.gz YZQPLAFXDGJIGY-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001566626050 1160100737 /nfs/dbraw/zinc/10/07/37/1160100737.db2.gz YZQPLAFXDGJIGY-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001566905292 1160180832 /nfs/dbraw/zinc/18/08/32/1160180832.db2.gz OVYCKPTZFOJESN-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567097187 1160240241 /nfs/dbraw/zinc/24/02/41/1160240241.db2.gz RIJNKXXIYMRVCG-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001567399699 1160347882 /nfs/dbraw/zinc/34/78/82/1160347882.db2.gz CILLKBCCLMRYBF-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567399699 1160347887 /nfs/dbraw/zinc/34/78/87/1160347887.db2.gz CILLKBCCLMRYBF-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001567399699 1160347895 /nfs/dbraw/zinc/34/78/95/1160347895.db2.gz CILLKBCCLMRYBF-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001567498316 1160397162 /nfs/dbraw/zinc/39/71/62/1160397162.db2.gz DGNFPCIEEOMXDT-SOUVJXGZSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[NH2+]C[C@@](C)(NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001568029204 1160565943 /nfs/dbraw/zinc/56/59/43/1160565943.db2.gz NMFDWGVLELTWPA-QGZVFWFLSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001569626260 1161167450 /nfs/dbraw/zinc/16/74/50/1161167450.db2.gz JWQHTPJVNOVIQJ-INIZCTEOSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001569820923 1161268099 /nfs/dbraw/zinc/26/80/99/1161268099.db2.gz MJMNOEXFXUPESL-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001569897917 1161304230 /nfs/dbraw/zinc/30/42/30/1161304230.db2.gz YDNOWAJRKJGFMT-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001569897917 1161304237 /nfs/dbraw/zinc/30/42/37/1161304237.db2.gz YDNOWAJRKJGFMT-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCC)C1 ZINC001570141978 1161438572 /nfs/dbraw/zinc/43/85/72/1161438572.db2.gz BZIZPQRJIGFCQY-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCC)C1 ZINC001570141978 1161438575 /nfs/dbraw/zinc/43/85/75/1161438575.db2.gz BZIZPQRJIGFCQY-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001574603802 1163734645 /nfs/dbraw/zinc/73/46/45/1163734645.db2.gz DOFZEPTYQOXYSD-CQSZACIVSA-N 2 1 318.425 0.278 20 30 DCEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001673264396 1173917269 /nfs/dbraw/zinc/91/72/69/1173917269.db2.gz QUIOLRSAFSLTKV-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001673264396 1173917275 /nfs/dbraw/zinc/91/72/75/1173917275.db2.gz QUIOLRSAFSLTKV-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001663750111 1174348019 /nfs/dbraw/zinc/34/80/19/1174348019.db2.gz YWSVNKNUXDKRIR-CQSZACIVSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001663750111 1174348023 /nfs/dbraw/zinc/34/80/23/1174348023.db2.gz YWSVNKNUXDKRIR-CQSZACIVSA-N 2 1 300.406 0.968 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001664786277 1174460418 /nfs/dbraw/zinc/46/04/18/1174460418.db2.gz WUVKBGWPSRHBLZ-KRWDZBQOSA-N 2 1 322.497 0.980 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001665647279 1174546118 /nfs/dbraw/zinc/54/61/18/1174546118.db2.gz PPIYGDGDJSEKDL-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001665647279 1174546125 /nfs/dbraw/zinc/54/61/25/1174546125.db2.gz PPIYGDGDJSEKDL-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001665687132 1174550833 /nfs/dbraw/zinc/55/08/33/1174550833.db2.gz XNJHALMVTWCATK-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001667117691 1174662774 /nfs/dbraw/zinc/66/27/74/1174662774.db2.gz BSTIRQIFPYBLGI-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001667117691 1174662778 /nfs/dbraw/zinc/66/27/78/1174662778.db2.gz BSTIRQIFPYBLGI-JKSUJKDBSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001667306436 1174675273 /nfs/dbraw/zinc/67/52/73/1174675273.db2.gz FJBQEMHDQAMJNI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001667306436 1174675275 /nfs/dbraw/zinc/67/52/75/1174675275.db2.gz FJBQEMHDQAMJNI-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H](OC)C1CCC1 ZINC001669584011 1174937184 /nfs/dbraw/zinc/93/71/84/1174937184.db2.gz GGAZOIQPGBHUBN-BHYGNILZSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H](OC)C1CCC1 ZINC001669584011 1174937189 /nfs/dbraw/zinc/93/71/89/1174937189.db2.gz GGAZOIQPGBHUBN-BHYGNILZSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC001670127670 1174984169 /nfs/dbraw/zinc/98/41/69/1174984169.db2.gz KHDKLODMUUCWMB-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC001670127670 1174984173 /nfs/dbraw/zinc/98/41/73/1174984173.db2.gz KHDKLODMUUCWMB-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001671428677 1175011983 /nfs/dbraw/zinc/01/19/83/1175011983.db2.gz HMKXVZQPTSDERA-AWEZNQCLSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001672459462 1175109896 /nfs/dbraw/zinc/10/98/96/1175109896.db2.gz RTEGOCGIJOZEQM-UHFFFAOYSA-N 2 1 317.437 0.385 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001673238380 1175179602 /nfs/dbraw/zinc/17/96/02/1175179602.db2.gz PNNNNINTWGBMRJ-UHFFFAOYSA-N 2 1 319.409 0.122 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC001673342485 1175193846 /nfs/dbraw/zinc/19/38/46/1175193846.db2.gz MQKVRHLQOZMZDB-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001673342485 1175193850 /nfs/dbraw/zinc/19/38/50/1175193850.db2.gz MQKVRHLQOZMZDB-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCOCC1 ZINC001673747239 1175230961 /nfs/dbraw/zinc/23/09/61/1175230961.db2.gz NBUWLOKCPSBPRL-UHFFFAOYSA-N 2 1 318.421 0.895 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001677004320 1175512448 /nfs/dbraw/zinc/51/24/48/1175512448.db2.gz SMBNQOTYNHPMRA-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001690055813 1177152636 /nfs/dbraw/zinc/15/26/36/1177152636.db2.gz USDVBRUGTOQDHO-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001698689153 1177608540 /nfs/dbraw/zinc/60/85/40/1177608540.db2.gz CKSNRBYHRIDBIK-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001698689153 1177608545 /nfs/dbraw/zinc/60/85/45/1177608545.db2.gz CKSNRBYHRIDBIK-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001698901061 1177713121 /nfs/dbraw/zinc/71/31/21/1177713121.db2.gz LNJQSWUAYFCMJJ-JKSUJKDBSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001699025559 1177776918 /nfs/dbraw/zinc/77/69/18/1177776918.db2.gz ACCJYKFEOSWRGK-HZPDHXFCSA-N 2 1 318.421 0.716 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001699772568 1178283283 /nfs/dbraw/zinc/28/32/83/1178283283.db2.gz NJGQNELPZBZSMN-UHFFFAOYSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001699990557 1178408824 /nfs/dbraw/zinc/40/88/24/1178408824.db2.gz DWJGCCGNWVZGMK-YESZJQIVSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001699990557 1178408827 /nfs/dbraw/zinc/40/88/27/1178408827.db2.gz DWJGCCGNWVZGMK-YESZJQIVSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001699990557 1178408829 /nfs/dbraw/zinc/40/88/29/1178408829.db2.gz DWJGCCGNWVZGMK-YESZJQIVSA-N 2 1 321.465 0.921 20 30 DCEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCC(NCC#N)CC2)C1 ZINC001699994952 1178412585 /nfs/dbraw/zinc/41/25/85/1178412585.db2.gz JAGAIZRRLLXSHT-CQSZACIVSA-N 2 1 307.442 0.022 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001700001955 1178420342 /nfs/dbraw/zinc/42/03/42/1178420342.db2.gz FOSKHSLKZNIXHO-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001700001955 1178420344 /nfs/dbraw/zinc/42/03/44/1178420344.db2.gz FOSKHSLKZNIXHO-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001700001955 1178420349 /nfs/dbraw/zinc/42/03/49/1178420349.db2.gz FOSKHSLKZNIXHO-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001700001955 1178420354 /nfs/dbraw/zinc/42/03/54/1178420354.db2.gz FOSKHSLKZNIXHO-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001700043839 1178457271 /nfs/dbraw/zinc/45/72/71/1178457271.db2.gz FYUPGLHWUFDZIO-QGZVFWFLSA-N 2 1 317.433 0.723 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001700278159 1178565244 /nfs/dbraw/zinc/56/52/44/1178565244.db2.gz NVNMUPZZHXVESV-UONOGXRCSA-N 2 1 310.442 0.065 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001700294609 1178567899 /nfs/dbraw/zinc/56/78/99/1178567899.db2.gz ZDEBCCJCOSCBJD-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001700294609 1178567903 /nfs/dbraw/zinc/56/79/03/1178567903.db2.gz ZDEBCCJCOSCBJD-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001700294609 1178567905 /nfs/dbraw/zinc/56/79/05/1178567905.db2.gz ZDEBCCJCOSCBJD-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001700358584 1178594291 /nfs/dbraw/zinc/59/42/91/1178594291.db2.gz YFZADIRXYSOSHZ-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001700358584 1178594296 /nfs/dbraw/zinc/59/42/96/1178594296.db2.gz YFZADIRXYSOSHZ-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC#C)CC1 ZINC001700364356 1178597145 /nfs/dbraw/zinc/59/71/45/1178597145.db2.gz KDYPPLZUSQCFQY-QGZVFWFLSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001700981905 1178858690 /nfs/dbraw/zinc/85/86/90/1178858690.db2.gz UKCHVZORJTUAGD-MRXNPFEDSA-N 2 1 303.406 0.161 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001700981905 1178858700 /nfs/dbraw/zinc/85/87/00/1178858700.db2.gz UKCHVZORJTUAGD-MRXNPFEDSA-N 2 1 303.406 0.161 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001707181131 1180428361 /nfs/dbraw/zinc/42/83/61/1180428361.db2.gz QQKVYWFYAWUVPM-LBPRGKRZSA-N 2 1 305.382 0.168 20 30 DCEDMP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707208616 1180433806 /nfs/dbraw/zinc/43/38/06/1180433806.db2.gz LYGZMLUEJYEGSH-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001713049833 1180650336 /nfs/dbraw/zinc/65/03/36/1180650336.db2.gz XDENVCOPHKLPHC-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001713057657 1180654401 /nfs/dbraw/zinc/65/44/01/1180654401.db2.gz UZMWRXINKWAXMI-HNNXBMFYSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCOCC)C1 ZINC001713194100 1180714841 /nfs/dbraw/zinc/71/48/41/1180714841.db2.gz VRFAEXSZEVQSIO-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCOCC)C1 ZINC001713194100 1180714847 /nfs/dbraw/zinc/71/48/47/1180714847.db2.gz VRFAEXSZEVQSIO-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001713401947 1180799182 /nfs/dbraw/zinc/79/91/82/1180799182.db2.gz WLTQSWPXSQGVLX-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCO)CC1 ZINC001713676635 1181013578 /nfs/dbraw/zinc/01/35/78/1181013578.db2.gz FLUBALLMAJMZRR-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCO)CC1 ZINC001713676635 1181013582 /nfs/dbraw/zinc/01/35/82/1181013582.db2.gz FLUBALLMAJMZRR-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001714047648 1181223460 /nfs/dbraw/zinc/22/34/60/1181223460.db2.gz DYFASOFVKHZWFP-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001714524702 1181401123 /nfs/dbraw/zinc/40/11/23/1181401123.db2.gz SEQLVSJGGAGIOM-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714542153 1181408588 /nfs/dbraw/zinc/40/85/88/1181408588.db2.gz QTDCGBVGLIVCGS-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714542153 1181408590 /nfs/dbraw/zinc/40/85/90/1181408590.db2.gz QTDCGBVGLIVCGS-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714542153 1181408593 /nfs/dbraw/zinc/40/85/93/1181408593.db2.gz QTDCGBVGLIVCGS-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001714592927 1181429759 /nfs/dbraw/zinc/42/97/59/1181429759.db2.gz FOHQLLYACKMXKJ-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001714731975 1181511548 /nfs/dbraw/zinc/51/15/48/1181511548.db2.gz VJEKYCVKQJBVFU-XHSDSOJGSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714766546 1181532421 /nfs/dbraw/zinc/53/24/21/1181532421.db2.gz ZATFCJZRWHJNNC-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715001958 1181639094 /nfs/dbraw/zinc/63/90/94/1181639094.db2.gz ZGINHAFNCRQPST-RDBSUJKOSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715001958 1181639099 /nfs/dbraw/zinc/63/90/99/1181639099.db2.gz ZGINHAFNCRQPST-RDBSUJKOSA-N 2 1 310.442 0.208 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001715597566 1181885574 /nfs/dbraw/zinc/88/55/74/1181885574.db2.gz JAPNHEUWQDPVEO-IAGOWNOFSA-N 2 1 321.465 0.874 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001715645916 1181920923 /nfs/dbraw/zinc/92/09/23/1181920923.db2.gz JZECQXPTPMTVNV-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCn1cccn1 ZINC001716221885 1182263460 /nfs/dbraw/zinc/26/34/60/1182263460.db2.gz DWSMJJATOCZMQP-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCn1cccn1 ZINC001716221885 1182263466 /nfs/dbraw/zinc/26/34/66/1182263466.db2.gz DWSMJJATOCZMQP-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001716920537 1182575196 /nfs/dbraw/zinc/57/51/96/1182575196.db2.gz XRXHEHWDGKVYQR-AEFFLSMTSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716920537 1182575201 /nfs/dbraw/zinc/57/52/01/1182575201.db2.gz XRXHEHWDGKVYQR-AEFFLSMTSA-N 2 1 319.449 0.580 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716920537 1182575204 /nfs/dbraw/zinc/57/52/04/1182575204.db2.gz XRXHEHWDGKVYQR-AEFFLSMTSA-N 2 1 319.449 0.580 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001717195974 1182723837 /nfs/dbraw/zinc/72/38/37/1182723837.db2.gz SURGQQZPAZQFFP-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717195974 1182723842 /nfs/dbraw/zinc/72/38/42/1182723842.db2.gz SURGQQZPAZQFFP-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717195974 1182723846 /nfs/dbraw/zinc/72/38/46/1182723846.db2.gz SURGQQZPAZQFFP-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001717259504 1182754340 /nfs/dbraw/zinc/75/43/40/1182754340.db2.gz CJEIOLGDMFJLLG-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001717341818 1182791806 /nfs/dbraw/zinc/79/18/06/1182791806.db2.gz UYJULOJGEVNHFM-KKUMJFAQSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)CC[NH+]1CCOCC1)C(C)C ZINC001717516903 1182878404 /nfs/dbraw/zinc/87/84/04/1182878404.db2.gz SGDKCPMTKYYGCW-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](C)OC)C1 ZINC001717642206 1182935439 /nfs/dbraw/zinc/93/54/39/1182935439.db2.gz NTPGXGKBYZHRFL-VGWMRTNUSA-N 2 1 307.438 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](C)OC)C1 ZINC001717642206 1182935441 /nfs/dbraw/zinc/93/54/41/1182935441.db2.gz NTPGXGKBYZHRFL-VGWMRTNUSA-N 2 1 307.438 0.603 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717938827 1183077684 /nfs/dbraw/zinc/07/76/84/1183077684.db2.gz TWRUXAKIVGXVPR-HOTGVXAUSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001717938827 1183077690 /nfs/dbraw/zinc/07/76/90/1183077690.db2.gz TWRUXAKIVGXVPR-HOTGVXAUSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001717938827 1183077696 /nfs/dbraw/zinc/07/76/96/1183077696.db2.gz TWRUXAKIVGXVPR-HOTGVXAUSA-N 2 1 309.454 0.634 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001723301713 1184282332 /nfs/dbraw/zinc/28/23/32/1184282332.db2.gz REWAKCXFVLKILH-FVQBIDKESA-N 2 1 307.438 0.461 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001724420962 1184437099 /nfs/dbraw/zinc/43/70/99/1184437099.db2.gz CADRXMDJIHCWAV-QGZVFWFLSA-N 2 1 307.438 0.601 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724641566 1184491185 /nfs/dbraw/zinc/49/11/85/1184491185.db2.gz OVNCUFYNTHLOLG-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001724903834 1184612811 /nfs/dbraw/zinc/61/28/11/1184612811.db2.gz JPCBIHYVKDFTRU-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001724904922 1184613011 /nfs/dbraw/zinc/61/30/11/1184613011.db2.gz JXPKWVSXAJXCFB-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001724909685 1184614647 /nfs/dbraw/zinc/61/46/47/1184614647.db2.gz FEHICDFLHADQEM-KRWDZBQOSA-N 2 1 318.421 0.548 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001725318008 1184767336 /nfs/dbraw/zinc/76/73/36/1184767336.db2.gz KAYPLJXBDBQNCF-PHZGNYQRSA-N 2 1 319.449 0.579 20 30 DCEDMP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001725329284 1184772540 /nfs/dbraw/zinc/77/25/40/1184772540.db2.gz IVZNEJXULIUOHQ-SWLSCSKDSA-N 2 1 322.409 0.741 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001725540266 1184871679 /nfs/dbraw/zinc/87/16/79/1184871679.db2.gz SGZIRUAOOKZAKJ-CQSZACIVSA-N 2 1 309.454 0.729 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001725726421 1184977840 /nfs/dbraw/zinc/97/78/40/1184977840.db2.gz ZXCNAQQJFFWXAP-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001731721014 1185456544 /nfs/dbraw/zinc/45/65/44/1185456544.db2.gz VXODRMCKUYOFQF-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001731721014 1185456548 /nfs/dbraw/zinc/45/65/48/1185456548.db2.gz VXODRMCKUYOFQF-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001731721014 1185456549 /nfs/dbraw/zinc/45/65/49/1185456549.db2.gz VXODRMCKUYOFQF-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001732064551 1185654522 /nfs/dbraw/zinc/65/45/22/1185654522.db2.gz RFIFOQUAFZNZGF-UHFFFAOYSA-N 2 1 317.437 0.291 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001732064078 1185654654 /nfs/dbraw/zinc/65/46/54/1185654654.db2.gz GAKBTBYNEKYGFN-KRWDZBQOSA-N 2 1 322.497 0.980 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCO)C1 ZINC001732069779 1185657382 /nfs/dbraw/zinc/65/73/82/1185657382.db2.gz BEXLYXQUZZZQAN-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCO)C1 ZINC001732069779 1185657388 /nfs/dbraw/zinc/65/73/88/1185657388.db2.gz BEXLYXQUZZZQAN-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCO)C1 ZINC001732069779 1185657394 /nfs/dbraw/zinc/65/73/94/1185657394.db2.gz BEXLYXQUZZZQAN-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCO)C1 ZINC001732069779 1185657399 /nfs/dbraw/zinc/65/73/99/1185657399.db2.gz BEXLYXQUZZZQAN-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001732089478 1185664786 /nfs/dbraw/zinc/66/47/86/1185664786.db2.gz RZXHKYSOZFTLBN-ULQDDVLXSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001732089478 1185664795 /nfs/dbraw/zinc/66/47/95/1185664795.db2.gz RZXHKYSOZFTLBN-ULQDDVLXSA-N 2 1 321.465 0.826 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001732126696 1185686437 /nfs/dbraw/zinc/68/64/37/1185686437.db2.gz GUOPUGDYDMHQOI-MRXNPFEDSA-N 2 1 305.422 0.026 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]C[C@@H](C)O)CC1 ZINC001732296490 1185759201 /nfs/dbraw/zinc/75/92/01/1185759201.db2.gz XKYIBLNSLJLIOG-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]C[C@@H](C)O)CC1 ZINC001732296490 1185759207 /nfs/dbraw/zinc/75/92/07/1185759207.db2.gz XKYIBLNSLJLIOG-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cncn1C ZINC001732347419 1185775386 /nfs/dbraw/zinc/77/53/86/1185775386.db2.gz JARRPWHYKLONIO-HOCLYGCPSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cncn1C ZINC001732347419 1185775389 /nfs/dbraw/zinc/77/53/89/1185775389.db2.gz JARRPWHYKLONIO-HOCLYGCPSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CC1 ZINC001733248786 1186200752 /nfs/dbraw/zinc/20/07/52/1186200752.db2.gz DFOUIWUPSUPXDZ-CABCVRRESA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CC1 ZINC001733248786 1186200756 /nfs/dbraw/zinc/20/07/56/1186200756.db2.gz DFOUIWUPSUPXDZ-CABCVRRESA-N 2 1 307.438 0.483 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001733376080 1186246436 /nfs/dbraw/zinc/24/64/36/1186246436.db2.gz XXQCIJCNIWFDLW-JKSUJKDBSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001733582042 1186341308 /nfs/dbraw/zinc/34/13/08/1186341308.db2.gz XXJSVHFULWAFCJ-OAGGEKHMSA-N 2 1 307.438 0.531 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001733582042 1186341315 /nfs/dbraw/zinc/34/13/15/1186341315.db2.gz XXJSVHFULWAFCJ-OAGGEKHMSA-N 2 1 307.438 0.531 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001733582042 1186341323 /nfs/dbraw/zinc/34/13/23/1186341323.db2.gz XXJSVHFULWAFCJ-OAGGEKHMSA-N 2 1 307.438 0.531 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001733594005 1186352890 /nfs/dbraw/zinc/35/28/90/1186352890.db2.gz TUYCZMRRMZRKQZ-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001733594005 1186352894 /nfs/dbraw/zinc/35/28/94/1186352894.db2.gz TUYCZMRRMZRKQZ-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001733594005 1186352898 /nfs/dbraw/zinc/35/28/98/1186352898.db2.gz TUYCZMRRMZRKQZ-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001733594005 1186352903 /nfs/dbraw/zinc/35/29/03/1186352903.db2.gz TUYCZMRRMZRKQZ-QGZVFWFLSA-N 2 1 309.454 0.685 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001733729443 1186416468 /nfs/dbraw/zinc/41/64/68/1186416468.db2.gz GNLSVGQPHPIFOT-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001733960350 1186509325 /nfs/dbraw/zinc/50/93/25/1186509325.db2.gz RGSYEDBTYDLWCD-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001734196378 1186576502 /nfs/dbraw/zinc/57/65/02/1186576502.db2.gz GFRTZIRYTZXAPG-UHFFFAOYSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734542016 1186684728 /nfs/dbraw/zinc/68/47/28/1186684728.db2.gz RQNYNLZTAUTORY-OAHLLOKOSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001734634533 1186713261 /nfs/dbraw/zinc/71/32/61/1186713261.db2.gz CAJLYGKXLCHJML-UHFFFAOYSA-N 2 1 305.422 0.479 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001752434868 1188421918 /nfs/dbraw/zinc/42/19/18/1188421918.db2.gz KLZJAFFLFKGWMN-HNNXBMFYSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001753104736 1188500983 /nfs/dbraw/zinc/50/09/83/1188500983.db2.gz VZQXXTMGSUVFQH-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001753297968 1188559850 /nfs/dbraw/zinc/55/98/50/1188559850.db2.gz VVNZRMGVPQZXLE-SJORKVTESA-N 2 1 315.417 0.787 20 30 DCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001753297968 1188559853 /nfs/dbraw/zinc/55/98/53/1188559853.db2.gz VVNZRMGVPQZXLE-SJORKVTESA-N 2 1 315.417 0.787 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753947024 1188692537 /nfs/dbraw/zinc/69/25/37/1188692537.db2.gz MGFOBFNGSSVCOF-JKSUJKDBSA-N 2 1 305.422 0.932 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCOC1CCC1 ZINC001754270885 1188804147 /nfs/dbraw/zinc/80/41/47/1188804147.db2.gz TWFWHTWETZSNKG-HOCLYGCPSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCOC1CCC1 ZINC001754270885 1188804149 /nfs/dbraw/zinc/80/41/49/1188804149.db2.gz TWFWHTWETZSNKG-HOCLYGCPSA-N 2 1 307.438 0.747 20 30 DCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001754857161 1188951919 /nfs/dbraw/zinc/95/19/19/1188951919.db2.gz AOBPFLCCGNRPBB-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001754857161 1188951922 /nfs/dbraw/zinc/95/19/22/1188951922.db2.gz AOBPFLCCGNRPBB-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001754857161 1188951925 /nfs/dbraw/zinc/95/19/25/1188951925.db2.gz AOBPFLCCGNRPBB-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)OC)CCC1 ZINC001754982089 1188986210 /nfs/dbraw/zinc/98/62/10/1188986210.db2.gz PBZCOVCHOBZKBG-GJZGRUSLSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)OC)CCC1 ZINC001754982089 1188986212 /nfs/dbraw/zinc/98/62/12/1188986212.db2.gz PBZCOVCHOBZKBG-GJZGRUSLSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CCC1 ZINC001754982047 1188986604 /nfs/dbraw/zinc/98/66/04/1188986604.db2.gz NLIWJMABRAPLMV-CVEARBPZSA-N 2 1 321.465 0.874 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CCC1 ZINC001754982047 1188986605 /nfs/dbraw/zinc/98/66/05/1188986605.db2.gz NLIWJMABRAPLMV-CVEARBPZSA-N 2 1 321.465 0.874 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001754987216 1188987187 /nfs/dbraw/zinc/98/71/87/1188987187.db2.gz KRFIOGBCHDEMHR-CQSZACIVSA-N 2 1 322.453 0.259 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001755212060 1189057016 /nfs/dbraw/zinc/05/70/16/1189057016.db2.gz BUWMCNHISYBWBY-OFLPRAFFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001755368535 1189092477 /nfs/dbraw/zinc/09/24/77/1189092477.db2.gz SLWDEFZMOIELBF-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001755482266 1189123782 /nfs/dbraw/zinc/12/37/82/1189123782.db2.gz OSWVVQWZQVLDSZ-BQFCYCMXSA-N 2 1 319.449 0.607 20 30 DCEDMP C=CC[NH+]1CCN(c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001165032074 721871084 /nfs/dbraw/zinc/87/10/84/721871084.db2.gz GEKPSTUIFHTABR-UHFFFAOYSA-N 2 1 303.410 0.915 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986053 751710792 /nfs/dbraw/zinc/71/07/92/751710792.db2.gz DNPJWNGHVSVSPB-GDBMZVCRSA-N 2 1 318.421 0.525 20 30 DCEDMP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124837587 751721717 /nfs/dbraw/zinc/72/17/17/751721717.db2.gz OHWKDFOHZMJJAW-OAHLLOKOSA-N 2 1 316.405 0.867 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107012066 751751595 /nfs/dbraw/zinc/75/15/95/751751595.db2.gz JOFJRHCEPISNIH-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107012066 751751596 /nfs/dbraw/zinc/75/15/96/751751596.db2.gz JOFJRHCEPISNIH-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372384 748637681 /nfs/dbraw/zinc/63/76/81/748637681.db2.gz CLDFCCOFRJQGTJ-ZDUSSCGKSA-N 2 1 318.425 0.279 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029151 749090529 /nfs/dbraw/zinc/09/05/29/749090529.db2.gz CWNCWWAMMRGHNW-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001098710760 749147368 /nfs/dbraw/zinc/14/73/68/749147368.db2.gz LOMQWFHMOKKEDL-OAHLLOKOSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462641 749812038 /nfs/dbraw/zinc/81/20/38/749812038.db2.gz SKDRQXNEYYFIJJ-UAGQMJEPSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462641 749812042 /nfs/dbraw/zinc/81/20/42/749812042.db2.gz SKDRQXNEYYFIJJ-UAGQMJEPSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462641 749812049 /nfs/dbraw/zinc/81/20/49/749812049.db2.gz SKDRQXNEYYFIJJ-UAGQMJEPSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462641 749812055 /nfs/dbraw/zinc/81/20/55/749812055.db2.gz SKDRQXNEYYFIJJ-UAGQMJEPSA-N 2 1 321.465 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083524897 750098310 /nfs/dbraw/zinc/09/83/10/750098310.db2.gz PWYWKKFBJFZEEL-OAGGEKHMSA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083524897 750098317 /nfs/dbraw/zinc/09/83/17/750098317.db2.gz PWYWKKFBJFZEEL-OAGGEKHMSA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083524897 750098324 /nfs/dbraw/zinc/09/83/24/750098324.db2.gz PWYWKKFBJFZEEL-OAGGEKHMSA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083524897 750098332 /nfs/dbraw/zinc/09/83/32/750098332.db2.gz PWYWKKFBJFZEEL-OAGGEKHMSA-N 2 1 307.438 0.741 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077280900 750314382 /nfs/dbraw/zinc/31/43/82/750314382.db2.gz PFOBKVGIRMQVJH-BZUAXINKSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280900 750314388 /nfs/dbraw/zinc/31/43/88/750314388.db2.gz PFOBKVGIRMQVJH-BZUAXINKSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280900 750314390 /nfs/dbraw/zinc/31/43/90/750314390.db2.gz PFOBKVGIRMQVJH-BZUAXINKSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280900 750314398 /nfs/dbraw/zinc/31/43/98/750314398.db2.gz PFOBKVGIRMQVJH-BZUAXINKSA-N 2 1 307.438 0.291 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105979713 750615132 /nfs/dbraw/zinc/61/51/32/750615132.db2.gz ZZVDFUPAOXMXLM-BNOWGMLFSA-N 2 1 315.845 0.754 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105979713 750615136 /nfs/dbraw/zinc/61/51/36/750615136.db2.gz ZZVDFUPAOXMXLM-BNOWGMLFSA-N 2 1 315.845 0.754 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719684 751031709 /nfs/dbraw/zinc/03/17/09/751031709.db2.gz QGRQIWHLPZRKPM-OAGGEKHMSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719684 751031716 /nfs/dbraw/zinc/03/17/16/751031716.db2.gz QGRQIWHLPZRKPM-OAGGEKHMSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203460035 752662357 /nfs/dbraw/zinc/66/23/57/752662357.db2.gz LQJOVXMQCVDPPH-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001044654590 752822294 /nfs/dbraw/zinc/82/22/94/752822294.db2.gz PCFAHPDKVQQPAB-STQMWFEESA-N 2 1 304.394 0.952 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(=C)C)C[C@H]2O)CC1 ZINC001078227161 753122051 /nfs/dbraw/zinc/12/20/51/753122051.db2.gz LRWKPVKMSYAWGX-IAGOWNOFSA-N 2 1 319.449 0.459 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424346 754269621 /nfs/dbraw/zinc/26/96/21/754269621.db2.gz HTABUNJFSWPHAL-HOTGVXAUSA-N 2 1 321.465 0.942 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047469906 754309181 /nfs/dbraw/zinc/30/91/81/754309181.db2.gz BZYZZFOZHAZGBM-YESZJQIVSA-N 2 1 321.465 0.940 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001047553565 754386546 /nfs/dbraw/zinc/38/65/46/754386546.db2.gz LSXFZDTZMNVOFD-IKGGRYGDSA-N 2 1 321.465 0.776 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553565 754386556 /nfs/dbraw/zinc/38/65/56/754386556.db2.gz LSXFZDTZMNVOFD-IKGGRYGDSA-N 2 1 321.465 0.776 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553565 754386564 /nfs/dbraw/zinc/38/65/64/754386564.db2.gz LSXFZDTZMNVOFD-IKGGRYGDSA-N 2 1 321.465 0.776 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047584388 754411679 /nfs/dbraw/zinc/41/16/79/754411679.db2.gz RPAAYQWZVJGGCO-HOTGVXAUSA-N 2 1 307.438 0.244 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047584388 754411680 /nfs/dbraw/zinc/41/16/80/754411680.db2.gz RPAAYQWZVJGGCO-HOTGVXAUSA-N 2 1 307.438 0.244 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116244 755124477 /nfs/dbraw/zinc/12/44/77/755124477.db2.gz GGPWMJSEFYUKQF-IYBDPMFKSA-N 2 1 307.438 0.675 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116244 755124480 /nfs/dbraw/zinc/12/44/80/755124480.db2.gz GGPWMJSEFYUKQF-IYBDPMFKSA-N 2 1 307.438 0.675 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049904929 755441284 /nfs/dbraw/zinc/44/12/84/755441284.db2.gz TYQAMHVYORTPJR-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049904929 755441286 /nfs/dbraw/zinc/44/12/86/755441286.db2.gz TYQAMHVYORTPJR-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904929 755441289 /nfs/dbraw/zinc/44/12/89/755441289.db2.gz TYQAMHVYORTPJR-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904929 755441292 /nfs/dbraw/zinc/44/12/92/755441292.db2.gz TYQAMHVYORTPJR-ZACQAIPSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOC)CC1 ZINC001096605294 755457353 /nfs/dbraw/zinc/45/73/53/755457353.db2.gz HZCYVPJLEFXWMW-IKGGRYGDSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001054151921 756386168 /nfs/dbraw/zinc/38/61/68/756386168.db2.gz VNKYGEWLNJHDOC-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001054151921 756386171 /nfs/dbraw/zinc/38/61/71/756386171.db2.gz VNKYGEWLNJHDOC-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001054151921 756386175 /nfs/dbraw/zinc/38/61/75/756386175.db2.gz VNKYGEWLNJHDOC-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001054151921 756386180 /nfs/dbraw/zinc/38/61/80/756386180.db2.gz VNKYGEWLNJHDOC-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083621 757484329 /nfs/dbraw/zinc/48/43/29/757484329.db2.gz CIYBGALFKSJEER-YESZJQIVSA-N 2 1 319.449 0.816 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001084844474 758079549 /nfs/dbraw/zinc/07/95/49/758079549.db2.gz VIFDWEASEVGZNW-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001084844474 758079563 /nfs/dbraw/zinc/07/95/63/758079563.db2.gz VIFDWEASEVGZNW-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844474 758079572 /nfs/dbraw/zinc/07/95/72/758079572.db2.gz VIFDWEASEVGZNW-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844474 758079585 /nfs/dbraw/zinc/07/95/85/758079585.db2.gz VIFDWEASEVGZNW-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371496 762656832 /nfs/dbraw/zinc/65/68/32/762656832.db2.gz UWXNXKVEZQDVMH-GDBMZVCRSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371496 762656835 /nfs/dbraw/zinc/65/68/35/762656835.db2.gz UWXNXKVEZQDVMH-GDBMZVCRSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371496 762656839 /nfs/dbraw/zinc/65/68/39/762656839.db2.gz UWXNXKVEZQDVMH-GDBMZVCRSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052108261 759184201 /nfs/dbraw/zinc/18/42/01/759184201.db2.gz LQFSFKIDBJUTKL-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052108261 759184205 /nfs/dbraw/zinc/18/42/05/759184205.db2.gz LQFSFKIDBJUTKL-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117602 759191466 /nfs/dbraw/zinc/19/14/66/759191466.db2.gz VAFIZHNFYVZKCC-SJORKVTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001098398316 759518942 /nfs/dbraw/zinc/51/89/42/759518942.db2.gz OHSJLKQRZIZDEB-HUUCEWRRSA-N 2 1 318.421 0.985 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001098398316 759518945 /nfs/dbraw/zinc/51/89/45/759518945.db2.gz OHSJLKQRZIZDEB-HUUCEWRRSA-N 2 1 318.421 0.985 20 30 DCEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970777 767889434 /nfs/dbraw/zinc/88/94/34/767889434.db2.gz OQDQSXGKDIVJOS-UHFFFAOYSA-N 2 1 316.380 0.999 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086178199 759808847 /nfs/dbraw/zinc/80/88/47/759808847.db2.gz WNNBASYUKFSIPE-SOUVJXGZSA-N 2 1 300.406 0.872 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343712 760416873 /nfs/dbraw/zinc/41/68/73/760416873.db2.gz YBNGMOZDQVYIMF-MRXNPFEDSA-N 2 1 313.442 0.348 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343712 760416879 /nfs/dbraw/zinc/41/68/79/760416879.db2.gz YBNGMOZDQVYIMF-MRXNPFEDSA-N 2 1 313.442 0.348 20 30 DCEDMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC#CCOC)C2 ZINC001148469415 767991099 /nfs/dbraw/zinc/99/10/99/767991099.db2.gz JGJXEKUODMZTSV-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108832404 761069659 /nfs/dbraw/zinc/06/96/59/761069659.db2.gz RSMMSNHJHUFBNS-BBWFWOEESA-N 2 1 321.465 0.946 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070196498 761132861 /nfs/dbraw/zinc/13/28/61/761132861.db2.gz AXNINQWUVTXUIR-TUVASFSCSA-N 2 1 318.425 0.146 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127585 761158696 /nfs/dbraw/zinc/15/86/96/761158696.db2.gz XEAMLCLGRGQALU-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070629574 761360361 /nfs/dbraw/zinc/36/03/61/761360361.db2.gz NFPZPBXTRWNWHA-KFWWJZLASA-N 2 1 317.437 0.584 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131768 761517781 /nfs/dbraw/zinc/51/77/81/761517781.db2.gz ILDRZEKDAKSOGL-GJZGRUSLSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131768 761517787 /nfs/dbraw/zinc/51/77/87/761517787.db2.gz ILDRZEKDAKSOGL-GJZGRUSLSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131768 761517794 /nfs/dbraw/zinc/51/77/94/761517794.db2.gz ILDRZEKDAKSOGL-GJZGRUSLSA-N 2 1 313.442 0.081 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396819 762930095 /nfs/dbraw/zinc/93/00/95/762930095.db2.gz NEGJVHVHFHTNSK-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396819 762930100 /nfs/dbraw/zinc/93/01/00/762930100.db2.gz NEGJVHVHFHTNSK-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001129770919 763009215 /nfs/dbraw/zinc/00/92/15/763009215.db2.gz NRBRCXLMNRYMGA-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001129770919 763009223 /nfs/dbraw/zinc/00/92/23/763009223.db2.gz NRBRCXLMNRYMGA-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130079615 763118069 /nfs/dbraw/zinc/11/80/69/763118069.db2.gz SLZOWQLXNMOEOH-KGLIPLIRSA-N 2 1 306.414 0.147 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001131387898 763794485 /nfs/dbraw/zinc/79/44/85/763794485.db2.gz AKGXBPGVDYLJKP-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001131387898 763794489 /nfs/dbraw/zinc/79/44/89/763794489.db2.gz AKGXBPGVDYLJKP-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704112 763949283 /nfs/dbraw/zinc/94/92/83/763949283.db2.gz QPYVHDVZDWFZPZ-RDJZCZTQSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704112 763949292 /nfs/dbraw/zinc/94/92/92/763949292.db2.gz QPYVHDVZDWFZPZ-RDJZCZTQSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704112 763949298 /nfs/dbraw/zinc/94/92/98/763949298.db2.gz QPYVHDVZDWFZPZ-RDJZCZTQSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001098477865 764145920 /nfs/dbraw/zinc/14/59/20/764145920.db2.gz MPAWOUAQLPYFLZ-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477865 764145927 /nfs/dbraw/zinc/14/59/27/764145927.db2.gz MPAWOUAQLPYFLZ-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477865 764145933 /nfs/dbraw/zinc/14/59/33/764145933.db2.gz MPAWOUAQLPYFLZ-OAHLLOKOSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132517285 764487869 /nfs/dbraw/zinc/48/78/69/764487869.db2.gz AOEAVQAFHCUQHX-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132517285 764487870 /nfs/dbraw/zinc/48/78/70/764487870.db2.gz AOEAVQAFHCUQHX-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132517285 764487875 /nfs/dbraw/zinc/48/78/75/764487875.db2.gz AOEAVQAFHCUQHX-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132517285 764487877 /nfs/dbraw/zinc/48/78/77/764487877.db2.gz AOEAVQAFHCUQHX-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132738078 764615666 /nfs/dbraw/zinc/61/56/66/764615666.db2.gz VDWWRBXYBXPNKF-CQSZACIVSA-N 2 1 310.442 0.116 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133166332 764855514 /nfs/dbraw/zinc/85/55/14/764855514.db2.gz SROLXZGGXDYLHS-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103740607 765116512 /nfs/dbraw/zinc/11/65/12/765116512.db2.gz OFNKOSPWEJBCQT-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740607 765116518 /nfs/dbraw/zinc/11/65/18/765116518.db2.gz OFNKOSPWEJBCQT-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740607 765116522 /nfs/dbraw/zinc/11/65/22/765116522.db2.gz OFNKOSPWEJBCQT-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740607 765116528 /nfs/dbraw/zinc/11/65/28/765116528.db2.gz OFNKOSPWEJBCQT-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206051 765473982 /nfs/dbraw/zinc/47/39/82/765473982.db2.gz FQWDHFRVFKSTEN-JHJVBQTASA-N 2 1 317.355 0.940 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134768868 765662304 /nfs/dbraw/zinc/66/23/04/765662304.db2.gz GWSMTOWJHBRKEW-GJZGRUSLSA-N 2 1 324.469 0.646 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001159327376 765753221 /nfs/dbraw/zinc/75/32/21/765753221.db2.gz HSOIZKGOPPOLTC-CQSZACIVSA-N 2 1 310.442 0.259 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523930 768329683 /nfs/dbraw/zinc/32/96/83/768329683.db2.gz NPSOXECWDTWFBC-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523930 768329692 /nfs/dbraw/zinc/32/96/92/768329692.db2.gz NPSOXECWDTWFBC-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523930 768329699 /nfs/dbraw/zinc/32/96/99/768329699.db2.gz NPSOXECWDTWFBC-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523930 768329707 /nfs/dbraw/zinc/32/97/07/768329707.db2.gz NPSOXECWDTWFBC-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882174 766149611 /nfs/dbraw/zinc/14/96/11/766149611.db2.gz IOZIOUYAPYABQJ-UONOGXRCSA-N 2 1 312.458 0.503 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090650344 766437979 /nfs/dbraw/zinc/43/79/79/766437979.db2.gz JUULTPYGARYTOM-IRXDYDNUSA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090650344 766437981 /nfs/dbraw/zinc/43/79/81/766437981.db2.gz JUULTPYGARYTOM-IRXDYDNUSA-N 2 1 315.417 0.546 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090734304 766530533 /nfs/dbraw/zinc/53/05/33/766530533.db2.gz KKTBQZQKZXQZMH-GOEBONIOSA-N 2 1 318.421 0.889 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090734304 766530539 /nfs/dbraw/zinc/53/05/39/766530539.db2.gz KKTBQZQKZXQZMH-GOEBONIOSA-N 2 1 318.421 0.889 20 30 DCEDMP C#CC[N@H+]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001136862899 766562565 /nfs/dbraw/zinc/56/25/65/766562565.db2.gz GLXIRBJRWZGWOT-UHFFFAOYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001136862899 766562567 /nfs/dbraw/zinc/56/25/67/766562567.db2.gz GLXIRBJRWZGWOT-UHFFFAOYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)C[C@@H]2O)CC1 ZINC001090830876 766648970 /nfs/dbraw/zinc/64/89/70/766648970.db2.gz QDYQWSVSYNJVDP-CVEARBPZSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150626237 769144671 /nfs/dbraw/zinc/14/46/71/769144671.db2.gz URXAOPJAIKTGOE-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626237 769144676 /nfs/dbraw/zinc/14/46/76/769144676.db2.gz URXAOPJAIKTGOE-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150626237 769144681 /nfs/dbraw/zinc/14/46/81/769144681.db2.gz URXAOPJAIKTGOE-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001151216226 769292817 /nfs/dbraw/zinc/29/28/17/769292817.db2.gz FKCVDZLDXWOGNP-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001151307637 769309169 /nfs/dbraw/zinc/30/91/69/769309169.db2.gz BPDCYKZLZQIQEU-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171732296 769359794 /nfs/dbraw/zinc/35/97/94/769359794.db2.gz ZKGOLIIFNJNKGL-AWEZNQCLSA-N 2 1 312.458 0.505 20 30 DCEDMP C[C@H]1C[N@@H+](CCCNC(=O)NCC#CC[NH+](C)C)CCCO1 ZINC001234145243 769563339 /nfs/dbraw/zinc/56/33/39/769563339.db2.gz CNCNPLOVEOZMPY-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152457943 769566139 /nfs/dbraw/zinc/56/61/39/769566139.db2.gz JFDHQQFNQXWYGM-KBPBESRZSA-N 2 1 310.442 0.257 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001152528257 769592542 /nfs/dbraw/zinc/59/25/42/769592542.db2.gz BZQOGTRVSRESET-INIZCTEOSA-N 2 1 303.406 0.645 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2CC#CCOC)CC[N@H+]1C ZINC001234412519 769648437 /nfs/dbraw/zinc/64/84/37/769648437.db2.gz BFZSWQIMGJAMDR-YESZJQIVSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2CC#CCOC)CC[N@H+]1C ZINC001234412489 769649433 /nfs/dbraw/zinc/64/94/33/769649433.db2.gz BFZSWQIMGJAMDR-IXDOHACOSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@H]1CCOC1 ZINC001153868463 769976077 /nfs/dbraw/zinc/97/60/77/769976077.db2.gz SOQRZGLOINJPOE-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H]1CCOC1 ZINC001153868463 769976086 /nfs/dbraw/zinc/97/60/86/769976086.db2.gz SOQRZGLOINJPOE-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H]1CCOC1 ZINC001153868463 769976095 /nfs/dbraw/zinc/97/60/95/769976095.db2.gz SOQRZGLOINJPOE-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H]1CCOC1 ZINC001153868463 769976105 /nfs/dbraw/zinc/97/61/05/769976105.db2.gz SOQRZGLOINJPOE-ZACQAIPSSA-N 2 1 321.465 0.947 20 30 DCEDMP N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)CC[NH3+])CC2)c1 ZINC001238808948 770131831 /nfs/dbraw/zinc/13/18/31/770131831.db2.gz WDQFOYWQBHUHQD-UHFFFAOYSA-N 2 1 322.434 0.401 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154836512 770312591 /nfs/dbraw/zinc/31/25/91/770312591.db2.gz BPAVZAKIDLJHMN-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001154836512 770312601 /nfs/dbraw/zinc/31/26/01/770312601.db2.gz BPAVZAKIDLJHMN-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001154836512 770312611 /nfs/dbraw/zinc/31/26/11/770312611.db2.gz BPAVZAKIDLJHMN-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178536254 770783394 /nfs/dbraw/zinc/78/33/94/770783394.db2.gz SKSKWPOKLUDUPQ-HZPDHXFCSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)C(N)=O ZINC001178722733 770833887 /nfs/dbraw/zinc/83/38/87/770833887.db2.gz OKYNWZDKSQJULA-CABCVRRESA-N 2 1 322.453 0.224 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)C(N)=O ZINC001178722733 770833891 /nfs/dbraw/zinc/83/38/91/770833891.db2.gz OKYNWZDKSQJULA-CABCVRRESA-N 2 1 322.453 0.224 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001179028438 770935154 /nfs/dbraw/zinc/93/51/54/770935154.db2.gz GXVCJXHJVRQEJX-JSGCOSHPSA-N 2 1 304.394 0.952 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156907919 770961751 /nfs/dbraw/zinc/96/17/51/770961751.db2.gz LQLIYSWENGTSQJ-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179852727 771023988 /nfs/dbraw/zinc/02/39/88/771023988.db2.gz ZLKQWQQBLMXSNT-KKUMJFAQSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009013 771217632 /nfs/dbraw/zinc/21/76/32/771217632.db2.gz OPGJBCAZABKSSV-HLLBOEOZSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009013 771217636 /nfs/dbraw/zinc/21/76/36/771217636.db2.gz OPGJBCAZABKSSV-HLLBOEOZSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157899044 771689210 /nfs/dbraw/zinc/68/92/10/771689210.db2.gz IAIOEWZIKMOZNN-HUUCEWRRSA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158038085 771717964 /nfs/dbraw/zinc/71/79/64/771717964.db2.gz MUNRGTWYPQOEPD-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158449545 771777437 /nfs/dbraw/zinc/77/74/37/771777437.db2.gz CUFSBYNCRDBRBA-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158449545 771777440 /nfs/dbraw/zinc/77/74/40/771777440.db2.gz CUFSBYNCRDBRBA-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185214260 771880368 /nfs/dbraw/zinc/88/03/68/771880368.db2.gz SDJXJXCVUTVOKY-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nccn1CC ZINC001160197637 772006601 /nfs/dbraw/zinc/00/66/01/772006601.db2.gz BKFSQRNZDCWMOR-HNNXBMFYSA-N 2 1 317.437 0.597 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nccn1CC ZINC001160197637 772006605 /nfs/dbraw/zinc/00/66/05/772006605.db2.gz BKFSQRNZDCWMOR-HNNXBMFYSA-N 2 1 317.437 0.597 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCCO1 ZINC001160209553 772009566 /nfs/dbraw/zinc/00/95/66/772009566.db2.gz QCFJTMAWSMGUJZ-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCCO1 ZINC001160209553 772009571 /nfs/dbraw/zinc/00/95/71/772009571.db2.gz QCFJTMAWSMGUJZ-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161472150 772229444 /nfs/dbraw/zinc/22/94/44/772229444.db2.gz NSWZBGHFXWKCRG-UHFFFAOYSA-N 2 1 305.422 0.480 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161472150 772229446 /nfs/dbraw/zinc/22/94/46/772229446.db2.gz NSWZBGHFXWKCRG-UHFFFAOYSA-N 2 1 305.422 0.480 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164597179 772686937 /nfs/dbraw/zinc/68/69/37/772686937.db2.gz XWEAFEORRFGCNY-CABCVRRESA-N 2 1 305.422 0.359 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190890563 772692602 /nfs/dbraw/zinc/69/26/02/772692602.db2.gz SLVMSAFJFNZSGQ-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190890563 772692604 /nfs/dbraw/zinc/69/26/04/772692604.db2.gz SLVMSAFJFNZSGQ-ZIAGYGMSSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001204798528 772962648 /nfs/dbraw/zinc/96/26/48/772962648.db2.gz KHKPQTJIIQEQBV-OAHLLOKOSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206273835 773060703 /nfs/dbraw/zinc/06/07/03/773060703.db2.gz AMPRNQFMKMDUCK-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462104 773066401 /nfs/dbraw/zinc/06/64/01/773066401.db2.gz KSEXFSBMXAVIID-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462104 773066402 /nfs/dbraw/zinc/06/64/02/773066402.db2.gz KSEXFSBMXAVIID-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193462104 773066408 /nfs/dbraw/zinc/06/64/08/773066408.db2.gz KSEXFSBMXAVIID-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193462104 773066411 /nfs/dbraw/zinc/06/64/11/773066411.db2.gz KSEXFSBMXAVIID-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001193507421 773075899 /nfs/dbraw/zinc/07/58/99/773075899.db2.gz WOSWMJICYDJQSN-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001193507421 773075903 /nfs/dbraw/zinc/07/59/03/773075903.db2.gz WOSWMJICYDJQSN-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001193507421 773075909 /nfs/dbraw/zinc/07/59/09/773075909.db2.gz WOSWMJICYDJQSN-OWCLPIDISA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193623069 773090567 /nfs/dbraw/zinc/09/05/67/773090567.db2.gz XAXSSFOPHSVJMC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193623069 773090571 /nfs/dbraw/zinc/09/05/71/773090571.db2.gz XAXSSFOPHSVJMC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193623069 773090575 /nfs/dbraw/zinc/09/05/75/773090575.db2.gz XAXSSFOPHSVJMC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193623069 773090577 /nfs/dbraw/zinc/09/05/77/773090577.db2.gz XAXSSFOPHSVJMC-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193755192 773112276 /nfs/dbraw/zinc/11/22/76/773112276.db2.gz HNYWIDXSXKNLKO-QLFBSQMISA-N 2 1 318.421 0.888 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193755192 773112279 /nfs/dbraw/zinc/11/22/79/773112279.db2.gz HNYWIDXSXKNLKO-QLFBSQMISA-N 2 1 318.421 0.888 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208340152 773437071 /nfs/dbraw/zinc/43/70/71/773437071.db2.gz JNBPYAYCQYQYFK-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836144 773652102 /nfs/dbraw/zinc/65/21/02/773652102.db2.gz GWBQVBUDRDBQBC-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158926 773707312 /nfs/dbraw/zinc/70/73/12/773707312.db2.gz YQGMWGFMJMACON-JKSUJKDBSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158926 773707314 /nfs/dbraw/zinc/70/73/14/773707314.db2.gz YQGMWGFMJMACON-JKSUJKDBSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158926 773707317 /nfs/dbraw/zinc/70/73/17/773707317.db2.gz YQGMWGFMJMACON-JKSUJKDBSA-N 2 1 309.454 0.921 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001210789058 773739345 /nfs/dbraw/zinc/73/93/45/773739345.db2.gz MHZBWVWHYGFMJC-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211310547 773791830 /nfs/dbraw/zinc/79/18/30/773791830.db2.gz RYYFEFXJVCQKPZ-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859359 773895465 /nfs/dbraw/zinc/89/54/65/773895465.db2.gz AKFFHQQEVMIDQU-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859359 773895470 /nfs/dbraw/zinc/89/54/70/773895470.db2.gz AKFFHQQEVMIDQU-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214973082 774029636 /nfs/dbraw/zinc/02/96/36/774029636.db2.gz LXCDFYVVGXZYRO-RBSFLKMASA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155774 774045051 /nfs/dbraw/zinc/04/50/51/774045051.db2.gz JCJWASNGTDDBKW-UKRRQHHQSA-N 2 1 306.410 0.831 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540001 774081781 /nfs/dbraw/zinc/08/17/81/774081781.db2.gz GERCFTFSUKVHOW-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC001218202589 774215899 /nfs/dbraw/zinc/21/58/99/774215899.db2.gz MYPJJYNLFJHSOS-SNPRPXQTSA-N 2 1 303.362 0.610 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200636600 774382446 /nfs/dbraw/zinc/38/24/46/774382446.db2.gz JQCUROBAZKAQOP-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001201267365 774480747 /nfs/dbraw/zinc/48/07/47/774480747.db2.gz MSQAOVWBDDBTLH-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001202165671 774610438 /nfs/dbraw/zinc/61/04/38/774610438.db2.gz ZCFRLDYIIJOJIN-MRXNPFEDSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001202165671 774610442 /nfs/dbraw/zinc/61/04/42/774610442.db2.gz ZCFRLDYIIJOJIN-MRXNPFEDSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202502604 774768614 /nfs/dbraw/zinc/76/86/14/774768614.db2.gz FUIFJJJUDGSBKO-GDBMZVCRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406804 775845266 /nfs/dbraw/zinc/84/52/66/775845266.db2.gz AOFNAPOFXZWSAI-JJXSEGSLSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406804 775845272 /nfs/dbraw/zinc/84/52/72/775845272.db2.gz AOFNAPOFXZWSAI-JJXSEGSLSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111406804 775845282 /nfs/dbraw/zinc/84/52/82/775845282.db2.gz AOFNAPOFXZWSAI-JJXSEGSLSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111406804 775845285 /nfs/dbraw/zinc/84/52/85/775845285.db2.gz AOFNAPOFXZWSAI-JJXSEGSLSA-N 2 1 305.422 0.309 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114732336 776078550 /nfs/dbraw/zinc/07/85/50/776078550.db2.gz DPONGZBUAOXGEP-SMLCLMEVSA-N 2 1 319.449 0.413 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001114732336 776078556 /nfs/dbraw/zinc/07/85/56/776078556.db2.gz DPONGZBUAOXGEP-SMLCLMEVSA-N 2 1 319.449 0.413 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001114732336 776078563 /nfs/dbraw/zinc/07/85/63/776078563.db2.gz DPONGZBUAOXGEP-SMLCLMEVSA-N 2 1 319.449 0.413 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317931833 945219444 /nfs/dbraw/zinc/21/94/44/945219444.db2.gz RSYSGYJIHDRUEW-IAGOWNOFSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317931833 945219450 /nfs/dbraw/zinc/21/94/50/945219450.db2.gz RSYSGYJIHDRUEW-IAGOWNOFSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001282782034 939115526 /nfs/dbraw/zinc/11/55/26/939115526.db2.gz PASBVNJLLHSBCR-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001282782034 939115530 /nfs/dbraw/zinc/11/55/30/939115530.db2.gz PASBVNJLLHSBCR-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001282782034 939115532 /nfs/dbraw/zinc/11/55/32/939115532.db2.gz PASBVNJLLHSBCR-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001282782034 939115534 /nfs/dbraw/zinc/11/55/34/939115534.db2.gz PASBVNJLLHSBCR-QGZVFWFLSA-N 2 1 307.438 0.655 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266439581 939118336 /nfs/dbraw/zinc/11/83/36/939118336.db2.gz RLRBONGOEMVCRX-ZBFHGGJFSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCn1cccn1 ZINC001480874456 939119557 /nfs/dbraw/zinc/11/95/57/939119557.db2.gz FRVULOVWTRYENR-HNNXBMFYSA-N 2 1 303.410 0.029 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCn1cccn1 ZINC001480874456 939119559 /nfs/dbraw/zinc/11/95/59/939119559.db2.gz FRVULOVWTRYENR-HNNXBMFYSA-N 2 1 303.410 0.029 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCn1cccn1 ZINC001480874456 939119564 /nfs/dbraw/zinc/11/95/64/939119564.db2.gz FRVULOVWTRYENR-HNNXBMFYSA-N 2 1 303.410 0.029 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCn1cccn1 ZINC001480874456 939119566 /nfs/dbraw/zinc/11/95/66/939119566.db2.gz FRVULOVWTRYENR-HNNXBMFYSA-N 2 1 303.410 0.029 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267115255 939349456 /nfs/dbraw/zinc/34/94/56/939349456.db2.gz RMYFLFYYYXEZGU-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267115255 939349457 /nfs/dbraw/zinc/34/94/57/939349457.db2.gz RMYFLFYYYXEZGU-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267115255 939349460 /nfs/dbraw/zinc/34/94/60/939349460.db2.gz RMYFLFYYYXEZGU-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267115255 939349463 /nfs/dbraw/zinc/34/94/63/939349463.db2.gz RMYFLFYYYXEZGU-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCn1cccn1 ZINC001267132863 939354471 /nfs/dbraw/zinc/35/44/71/939354471.db2.gz TXHOHLSUFMCBMY-HOTGVXAUSA-N 2 1 317.437 0.465 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCn1cccn1 ZINC001267132863 939354474 /nfs/dbraw/zinc/35/44/74/939354474.db2.gz TXHOHLSUFMCBMY-HOTGVXAUSA-N 2 1 317.437 0.465 20 30 DCEDMP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267216703 939390718 /nfs/dbraw/zinc/39/07/18/939390718.db2.gz QGVIEUKLYNHNCY-NVXWUHKLSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001267310570 939422107 /nfs/dbraw/zinc/42/21/07/939422107.db2.gz YBGYNQOBQFDKGW-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC001480950008 939469170 /nfs/dbraw/zinc/46/91/70/939469170.db2.gz CLRLIMHGLZTLNH-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[NH+](CCCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001267512950 939480965 /nfs/dbraw/zinc/48/09/65/939480965.db2.gz ZGGSCQBJLGOTBK-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001267512950 939480966 /nfs/dbraw/zinc/48/09/66/939480966.db2.gz ZGGSCQBJLGOTBK-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001267512950 939480968 /nfs/dbraw/zinc/48/09/68/939480968.db2.gz ZGGSCQBJLGOTBK-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001267512950 939480969 /nfs/dbraw/zinc/48/09/69/939480969.db2.gz ZGGSCQBJLGOTBK-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267569290 939504185 /nfs/dbraw/zinc/50/41/85/939504185.db2.gz SBTLVOHKVIYFGY-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267571946 939514600 /nfs/dbraw/zinc/51/46/00/939514600.db2.gz VAHWYKNFVAMEKM-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267571946 939514602 /nfs/dbraw/zinc/51/46/02/939514602.db2.gz VAHWYKNFVAMEKM-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267571946 939514604 /nfs/dbraw/zinc/51/46/04/939514604.db2.gz VAHWYKNFVAMEKM-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267571946 939514605 /nfs/dbraw/zinc/51/46/05/939514605.db2.gz VAHWYKNFVAMEKM-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001481061420 939544471 /nfs/dbraw/zinc/54/44/71/939544471.db2.gz WOUZUQYYQJVGJN-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001481069927 939547523 /nfs/dbraw/zinc/54/75/23/939547523.db2.gz DDHITQTXADLNTE-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CC#CCOC)C2)C1 ZINC001267690164 939626649 /nfs/dbraw/zinc/62/66/49/939626649.db2.gz XQCCVUXRVXIGCM-QGZVFWFLSA-N 2 1 321.465 0.806 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CC#CCOC)C2)C1 ZINC001267690164 939626650 /nfs/dbraw/zinc/62/66/50/939626650.db2.gz XQCCVUXRVXIGCM-QGZVFWFLSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267763561 939668516 /nfs/dbraw/zinc/66/85/16/939668516.db2.gz NSYXNPXNXIGAKL-QLFBSQMISA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267763561 939668517 /nfs/dbraw/zinc/66/85/17/939668517.db2.gz NSYXNPXNXIGAKL-QLFBSQMISA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267763561 939668518 /nfs/dbraw/zinc/66/85/18/939668518.db2.gz NSYXNPXNXIGAKL-QLFBSQMISA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267763561 939668519 /nfs/dbraw/zinc/66/85/19/939668519.db2.gz NSYXNPXNXIGAKL-QLFBSQMISA-N 2 1 322.453 0.162 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001481357872 939758858 /nfs/dbraw/zinc/75/88/58/939758858.db2.gz HRDSGKYLCZRWIO-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001481357872 939758859 /nfs/dbraw/zinc/75/88/59/939758859.db2.gz HRDSGKYLCZRWIO-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001481357872 939758860 /nfs/dbraw/zinc/75/88/60/939758860.db2.gz HRDSGKYLCZRWIO-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001268220024 939994153 /nfs/dbraw/zinc/99/41/53/939994153.db2.gz REPBFAUFKRADGV-JKSUJKDBSA-N 2 1 309.454 0.708 20 30 DCEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001482038824 940223746 /nfs/dbraw/zinc/22/37/46/940223746.db2.gz BZGJFCBDJPOOEU-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001482038824 940223750 /nfs/dbraw/zinc/22/37/50/940223750.db2.gz BZGJFCBDJPOOEU-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001268895988 940400359 /nfs/dbraw/zinc/40/03/59/940400359.db2.gz GZAWPRRPKDDRDZ-UONOGXRCSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001268895988 940400361 /nfs/dbraw/zinc/40/03/61/940400361.db2.gz GZAWPRRPKDDRDZ-UONOGXRCSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001268900481 940402307 /nfs/dbraw/zinc/40/23/07/940402307.db2.gz HRWCHGKIDPHCEF-ZFWWWQNUSA-N 2 1 324.469 0.311 20 30 DCEDMP C#CCN1CC2(C[NH+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001273143806 945322250 /nfs/dbraw/zinc/32/22/50/945322250.db2.gz LXENLLOBVUSBHQ-UHFFFAOYSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269172956 940639346 /nfs/dbraw/zinc/63/93/46/940639346.db2.gz ZGINHAFNCRQPST-MCIONIFRSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269172956 940639348 /nfs/dbraw/zinc/63/93/48/940639348.db2.gz ZGINHAFNCRQPST-MCIONIFRSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCOC)C2)CC1 ZINC001269296326 940674568 /nfs/dbraw/zinc/67/45/68/940674568.db2.gz MARBMZPHPGJHLP-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001269981434 940810097 /nfs/dbraw/zinc/81/00/97/940810097.db2.gz LSAOOCCKVLLOTL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001270814969 940999619 /nfs/dbraw/zinc/99/96/19/940999619.db2.gz UVZNRPRHTXZZPF-GOSISDBHSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001271964842 941493598 /nfs/dbraw/zinc/49/35/98/941493598.db2.gz GGPCXFGUGSKDQE-YOEHRIQHSA-N 2 1 318.421 0.575 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083667139 942441351 /nfs/dbraw/zinc/44/13/51/942441351.db2.gz KSXHTFYLKBEYFG-SJORKVTESA-N 2 1 317.433 0.752 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083667139 942441355 /nfs/dbraw/zinc/44/13/55/942441355.db2.gz KSXHTFYLKBEYFG-SJORKVTESA-N 2 1 317.433 0.752 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001272552980 942823442 /nfs/dbraw/zinc/82/34/42/942823442.db2.gz NFWDCJZNSWRHMJ-OAHLLOKOSA-N 2 1 315.377 0.524 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001483794167 942957697 /nfs/dbraw/zinc/95/76/97/942957697.db2.gz DTHOBVSYRSNFAR-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484216170 943214511 /nfs/dbraw/zinc/21/45/11/943214511.db2.gz JRRUJUMAOBMMMS-NFAWXSAZSA-N 2 1 315.845 0.632 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484216170 943214512 /nfs/dbraw/zinc/21/45/12/943214512.db2.gz JRRUJUMAOBMMMS-NFAWXSAZSA-N 2 1 315.845 0.632 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484216170 943214517 /nfs/dbraw/zinc/21/45/17/943214517.db2.gz JRRUJUMAOBMMMS-NFAWXSAZSA-N 2 1 315.845 0.632 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484216170 943214519 /nfs/dbraw/zinc/21/45/19/943214519.db2.gz JRRUJUMAOBMMMS-NFAWXSAZSA-N 2 1 315.845 0.632 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490912396 943614699 /nfs/dbraw/zinc/61/46/99/943614699.db2.gz YWFQPZQBAUSVJV-MGPQQGTHSA-N 2 1 319.409 0.119 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)C1=O ZINC001485524469 943984468 /nfs/dbraw/zinc/98/44/68/943984468.db2.gz YYNLLUYZBVWWLY-UKRRQHHQSA-N 2 1 322.453 0.162 20 30 DCEDMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)CC1(C)C)[NH+](C)C ZINC001485575520 944019016 /nfs/dbraw/zinc/01/90/16/944019016.db2.gz NQAWIQMCNCVTFQ-LSDHHAIUSA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)CC1(C)C)[NH+](C)C ZINC001485575520 944019018 /nfs/dbraw/zinc/01/90/18/944019018.db2.gz NQAWIQMCNCVTFQ-LSDHHAIUSA-N 2 1 309.454 0.803 20 30 DCEDMP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001486034314 944514874 /nfs/dbraw/zinc/51/48/74/944514874.db2.gz PNKDXVCNPVYKBT-CABCVRRESA-N 2 1 320.437 0.787 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317082643 944785731 /nfs/dbraw/zinc/78/57/31/944785731.db2.gz QMPBGAKMVAPZFB-KKUMJFAQSA-N 2 1 322.453 0.400 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC=C)CC1 ZINC001486359550 944821967 /nfs/dbraw/zinc/82/19/67/944821967.db2.gz YRXLNTZPCLMJDO-KRWDZBQOSA-N 2 1 321.465 0.659 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOC1CCC1 ZINC001317251521 944879134 /nfs/dbraw/zinc/87/91/34/944879134.db2.gz CIMUWGGBSPSJPM-ZBFHGGJFSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOC1CCC1 ZINC001317251521 944879142 /nfs/dbraw/zinc/87/91/42/944879142.db2.gz CIMUWGGBSPSJPM-ZBFHGGJFSA-N 2 1 307.438 0.747 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001318493378 945385058 /nfs/dbraw/zinc/38/50/58/945385058.db2.gz ZCWOUKZKWSOIIQ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318493378 945385064 /nfs/dbraw/zinc/38/50/64/945385064.db2.gz ZCWOUKZKWSOIIQ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001318493378 945385072 /nfs/dbraw/zinc/38/50/72/945385072.db2.gz ZCWOUKZKWSOIIQ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001318493378 945385083 /nfs/dbraw/zinc/38/50/83/945385083.db2.gz ZCWOUKZKWSOIIQ-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001319250871 945534621 /nfs/dbraw/zinc/53/46/21/945534621.db2.gz NKFOAVYTWUJZQL-OAHLLOKOSA-N 2 1 320.437 0.998 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001278608355 945684545 /nfs/dbraw/zinc/68/45/45/945684545.db2.gz LADMAEUCAHNAFP-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1(C)C ZINC001278650073 945873700 /nfs/dbraw/zinc/87/37/00/945873700.db2.gz BXHIUFWCVDZIFE-HOTGVXAUSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1(C)C ZINC001278650073 945873708 /nfs/dbraw/zinc/87/37/08/945873708.db2.gz BXHIUFWCVDZIFE-HOTGVXAUSA-N 2 1 301.434 0.934 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001278690133 946046539 /nfs/dbraw/zinc/04/65/39/946046539.db2.gz OMFDFQIGGAFIAJ-OAHLLOKOSA-N 2 1 318.421 0.668 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001278786665 946387151 /nfs/dbraw/zinc/38/71/51/946387151.db2.gz FXXRKNGBNJKKHB-MRXNPFEDSA-N 2 1 300.362 0.916 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC#CCOC ZINC001322169944 946597830 /nfs/dbraw/zinc/59/78/30/946597830.db2.gz VAZNUKFIZUDKQW-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC#CCOC ZINC001322169944 946597835 /nfs/dbraw/zinc/59/78/35/946597835.db2.gz VAZNUKFIZUDKQW-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC#CCOC ZINC001322169944 946597847 /nfs/dbraw/zinc/59/78/47/946597847.db2.gz VAZNUKFIZUDKQW-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#CCOC ZINC001322169944 946597857 /nfs/dbraw/zinc/59/78/57/946597857.db2.gz VAZNUKFIZUDKQW-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001324559141 947457693 /nfs/dbraw/zinc/45/76/93/947457693.db2.gz BFFYHPDVGRBDFR-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001324559141 947457698 /nfs/dbraw/zinc/45/76/98/947457698.db2.gz BFFYHPDVGRBDFR-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001324559141 947457706 /nfs/dbraw/zinc/45/77/06/947457706.db2.gz BFFYHPDVGRBDFR-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)CCn3ccnc3)C[C@H]2C1 ZINC001325753095 947911451 /nfs/dbraw/zinc/91/14/51/947911451.db2.gz WWIBCCHCWCKWAE-IYBDPMFKSA-N 2 1 318.421 0.866 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001327577228 948557671 /nfs/dbraw/zinc/55/76/71/948557671.db2.gz LLPFYQLDSFOSEF-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001264008352 948829971 /nfs/dbraw/zinc/82/99/71/948829971.db2.gz MHWMOYVSEMOVAH-ZACQAIPSSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001264393590 948958158 /nfs/dbraw/zinc/95/81/58/948958158.db2.gz DTUZBLSBUDJPGS-GASCZTMLSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001264634143 949042406 /nfs/dbraw/zinc/04/24/06/949042406.db2.gz KHHFXVSGSMNDSD-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264634143 949042421 /nfs/dbraw/zinc/04/24/21/949042421.db2.gz KHHFXVSGSMNDSD-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001264634143 949042442 /nfs/dbraw/zinc/04/24/42/949042442.db2.gz KHHFXVSGSMNDSD-IAGOWNOFSA-N 2 1 321.465 0.637 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001264996647 949158234 /nfs/dbraw/zinc/15/82/34/949158234.db2.gz MWQUIYCTVMIXSO-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001264996647 949158244 /nfs/dbraw/zinc/15/82/44/949158244.db2.gz MWQUIYCTVMIXSO-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265597226 949800779 /nfs/dbraw/zinc/80/07/79/949800779.db2.gz SZPGIQABNUZULA-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265597520 949804428 /nfs/dbraw/zinc/80/44/28/949804428.db2.gz ZWOLTBIIFLOHFD-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001265597520 949804452 /nfs/dbraw/zinc/80/44/52/949804452.db2.gz ZWOLTBIIFLOHFD-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265597520 949804476 /nfs/dbraw/zinc/80/44/76/949804476.db2.gz ZWOLTBIIFLOHFD-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265874502 950074370 /nfs/dbraw/zinc/07/43/70/950074370.db2.gz FVBMKIOHHXVBOI-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265874502 950074394 /nfs/dbraw/zinc/07/43/94/950074394.db2.gz FVBMKIOHHXVBOI-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265874502 950074412 /nfs/dbraw/zinc/07/44/12/950074412.db2.gz FVBMKIOHHXVBOI-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCCOC)C1 ZINC001265986886 950231407 /nfs/dbraw/zinc/23/14/07/950231407.db2.gz ORLPJDRKKGGNCE-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCCOC)C1 ZINC001265986886 950231425 /nfs/dbraw/zinc/23/14/25/950231425.db2.gz ORLPJDRKKGGNCE-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001331054075 950861078 /nfs/dbraw/zinc/86/10/78/950861078.db2.gz OXNLDTRZUVBMGL-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001490567534 950888776 /nfs/dbraw/zinc/88/87/76/950888776.db2.gz SEMHQGXNAJMEPB-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001490567534 950888791 /nfs/dbraw/zinc/88/87/91/950888791.db2.gz SEMHQGXNAJMEPB-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001331642705 951215706 /nfs/dbraw/zinc/21/57/06/951215706.db2.gz BXJIAQVNGMINHN-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001332050469 951453689 /nfs/dbraw/zinc/45/36/89/951453689.db2.gz PJXVKABHYUCWIB-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001332280777 951561450 /nfs/dbraw/zinc/56/14/50/951561450.db2.gz KLSIIIWDADONJB-STQMWFEESA-N 2 1 304.394 0.858 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001274558092 951697549 /nfs/dbraw/zinc/69/75/49/951697549.db2.gz FTLMDWGWGVUENY-UHFFFAOYSA-N 2 1 309.454 0.541 20 30 DCEDMP C=C[C@](C)(O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274614347 951740050 /nfs/dbraw/zinc/74/00/50/951740050.db2.gz FLVAPXNWGZIKTR-DLBZAZTESA-N 2 1 323.437 0.326 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC#CCOC)CC[N@H+]1C ZINC001275835426 952485874 /nfs/dbraw/zinc/48/58/74/952485874.db2.gz MJSBNRIZXNKYIM-OWCLPIDISA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC#CCOC)CC[NH+]1C ZINC001275835426 952485877 /nfs/dbraw/zinc/48/58/77/952485877.db2.gz MJSBNRIZXNKYIM-OWCLPIDISA-N 2 1 309.454 0.803 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#CCOC)CC[NH+]1C ZINC001275835426 952485878 /nfs/dbraw/zinc/48/58/78/952485878.db2.gz MJSBNRIZXNKYIM-OWCLPIDISA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001275955223 952558728 /nfs/dbraw/zinc/55/87/28/952558728.db2.gz IPDGZBQYSUKAPM-AWEZNQCLSA-N 2 1 305.426 0.518 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001342564067 953295970 /nfs/dbraw/zinc/29/59/70/953295970.db2.gz FBBWXHWMOXLMPT-MLGOLLRUSA-N 2 1 303.410 0.667 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001281810169 953370874 /nfs/dbraw/zinc/37/08/74/953370874.db2.gz QFVYMVXGFVIUMM-INIZCTEOSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CCC(CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001281818477 953375134 /nfs/dbraw/zinc/37/51/34/953375134.db2.gz ZVFHXMSDVVBHRO-OAHLLOKOSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001282485755 953604875 /nfs/dbraw/zinc/60/48/75/953604875.db2.gz MFUSZXUSAILVIE-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001282485755 953604879 /nfs/dbraw/zinc/60/48/79/953604879.db2.gz MFUSZXUSAILVIE-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001282485755 953604886 /nfs/dbraw/zinc/60/48/86/953604886.db2.gz MFUSZXUSAILVIE-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001282485755 953604889 /nfs/dbraw/zinc/60/48/89/953604889.db2.gz MFUSZXUSAILVIE-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001282485755 953604893 /nfs/dbraw/zinc/60/48/93/953604893.db2.gz MFUSZXUSAILVIE-PBHICJAKSA-N 2 1 322.453 0.211 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001284508581 955141384 /nfs/dbraw/zinc/14/13/84/955141384.db2.gz FEECZCUJMDJJKU-IAGOWNOFSA-N 2 1 323.481 0.883 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001284508581 955141388 /nfs/dbraw/zinc/14/13/88/955141388.db2.gz FEECZCUJMDJJKU-IAGOWNOFSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1cncn1C ZINC001284517154 955150878 /nfs/dbraw/zinc/15/08/78/955150878.db2.gz SDCBVDUEZKUDPU-HNNXBMFYSA-N 2 1 306.410 0.127 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491963516 959454047 /nfs/dbraw/zinc/45/40/47/959454047.db2.gz OGUJCPZWHYVZQW-HNNXBMFYSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491963516 959454054 /nfs/dbraw/zinc/45/40/54/959454054.db2.gz OGUJCPZWHYVZQW-HNNXBMFYSA-N 2 1 322.453 0.307 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001316694686 960117530 /nfs/dbraw/zinc/11/75/30/960117530.db2.gz YDSQTKHPNWSVGG-ARFHVFGLSA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001316749199 960363049 /nfs/dbraw/zinc/36/30/49/960363049.db2.gz SQFHBXKDVUHYEL-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001316749199 960363058 /nfs/dbraw/zinc/36/30/58/960363058.db2.gz SQFHBXKDVUHYEL-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001316749199 960363066 /nfs/dbraw/zinc/36/30/66/960363066.db2.gz SQFHBXKDVUHYEL-JKSUJKDBSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316824401 960397159 /nfs/dbraw/zinc/39/71/59/960397159.db2.gz RACINLOEJXIITD-INIZCTEOSA-N 2 1 307.438 0.416 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001379281670 962534240 /nfs/dbraw/zinc/53/42/40/962534240.db2.gz FEDFWGGWYPMJEV-VXGBXAGGSA-N 2 1 322.434 0.138 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001369349771 964799876 /nfs/dbraw/zinc/79/98/76/964799876.db2.gz FODIARMRNAEMRQ-JKSUJKDBSA-N 2 1 316.405 0.219 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001507072617 1015954501 /nfs/dbraw/zinc/95/45/01/1015954501.db2.gz VZKJOAZUMYBAGL-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001503015599 1016148086 /nfs/dbraw/zinc/14/80/86/1016148086.db2.gz VKKMDSUJFQQBIV-HOCLYGCPSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001503015599 1016148091 /nfs/dbraw/zinc/14/80/91/1016148091.db2.gz VKKMDSUJFQQBIV-HOCLYGCPSA-N 2 1 318.421 0.810 20 30 DCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001507232882 1016156290 /nfs/dbraw/zinc/15/62/90/1016156290.db2.gz OASHWCPINMUUEM-KGLIPLIRSA-N 2 1 306.410 0.397 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001505411661 1016219275 /nfs/dbraw/zinc/21/92/75/1016219275.db2.gz ZAGWUFOOOICPRH-INIZCTEOSA-N 2 1 318.421 0.812 20 30 DCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC#CC[NH+](C)C)CC1 ZINC001468799923 1016280700 /nfs/dbraw/zinc/28/07/00/1016280700.db2.gz WPDTUEYEAKVAPR-INIZCTEOSA-N 2 1 323.485 0.124 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001401153688 1000233554 /nfs/dbraw/zinc/23/35/54/1000233554.db2.gz VTARKWNYPVWNRL-YPMHNXCESA-N 2 1 303.834 0.802 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001401153688 1000233564 /nfs/dbraw/zinc/23/35/64/1000233564.db2.gz VTARKWNYPVWNRL-YPMHNXCESA-N 2 1 303.834 0.802 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001507528672 1016445658 /nfs/dbraw/zinc/44/56/58/1016445658.db2.gz JCPJFULVGAHRBM-IRXDYDNUSA-N 2 1 317.433 0.722 20 30 DCEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001505838500 1016602325 /nfs/dbraw/zinc/60/23/25/1016602325.db2.gz AWWXZLHCXZXWLH-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC001460874130 1012980397 /nfs/dbraw/zinc/98/03/97/1012980397.db2.gz PSESJOYADCVYFT-PMPSAXMXSA-N 2 1 307.438 0.941 20 30 DCEDMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC001460874130 1012980409 /nfs/dbraw/zinc/98/04/09/1012980409.db2.gz PSESJOYADCVYFT-PMPSAXMXSA-N 2 1 307.438 0.941 20 30 DCEDMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC001460874130 1012980427 /nfs/dbraw/zinc/98/04/27/1012980427.db2.gz PSESJOYADCVYFT-PMPSAXMXSA-N 2 1 307.438 0.941 20 30 DCEDMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC001460874130 1012980432 /nfs/dbraw/zinc/98/04/32/1012980432.db2.gz PSESJOYADCVYFT-PMPSAXMXSA-N 2 1 307.438 0.941 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001506747927 1017500346 /nfs/dbraw/zinc/50/03/46/1017500346.db2.gz VFFMTPMMNBCVMV-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001506747927 1017500359 /nfs/dbraw/zinc/50/03/59/1017500359.db2.gz VFFMTPMMNBCVMV-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001506747927 1017500369 /nfs/dbraw/zinc/50/03/69/1017500369.db2.gz VFFMTPMMNBCVMV-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001506747927 1017500379 /nfs/dbraw/zinc/50/03/79/1017500379.db2.gz VFFMTPMMNBCVMV-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001479770360 1017727012 /nfs/dbraw/zinc/72/70/12/1017727012.db2.gz CHRQDGLDEFSBBR-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001479770360 1017727025 /nfs/dbraw/zinc/72/70/25/1017727025.db2.gz CHRQDGLDEFSBBR-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001479770360 1017727034 /nfs/dbraw/zinc/72/70/34/1017727034.db2.gz CHRQDGLDEFSBBR-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)C[N@H+](C)C(C)C)CC2)C1=O ZINC001499458871 1017942055 /nfs/dbraw/zinc/94/20/55/1017942055.db2.gz QQDHHVRFXKONEC-CQSZACIVSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497191754 1017958862 /nfs/dbraw/zinc/95/88/62/1017958862.db2.gz CZNKURQTHHZGMV-MGPQQGTHSA-N 2 1 310.442 0.113 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001500171465 1018269638 /nfs/dbraw/zinc/26/96/38/1018269638.db2.gz VNUYTOUFIFFEMB-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001500171465 1018269655 /nfs/dbraw/zinc/26/96/55/1018269655.db2.gz VNUYTOUFIFFEMB-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001500171465 1018269664 /nfs/dbraw/zinc/26/96/64/1018269664.db2.gz VNUYTOUFIFFEMB-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500402544 1018441172 /nfs/dbraw/zinc/44/11/72/1018441172.db2.gz VGWCOJUMPSTFTR-WBVHZDCISA-N 2 1 307.438 0.416 20 30 DCEDMP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983784 1018561656 /nfs/dbraw/zinc/56/16/56/1018561656.db2.gz MAHGXXBHTOSCNR-GHMZBOCLSA-N 2 1 304.232 0.941 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001500736627 1018618888 /nfs/dbraw/zinc/61/88/88/1018618888.db2.gz VWZYULLTRAHNSI-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001500736627 1018618891 /nfs/dbraw/zinc/61/88/91/1018618891.db2.gz VWZYULLTRAHNSI-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001500736627 1018618894 /nfs/dbraw/zinc/61/88/94/1018618894.db2.gz VWZYULLTRAHNSI-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001480665096 1018754724 /nfs/dbraw/zinc/75/47/24/1018754724.db2.gz ITDODQCLKRDOGM-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001501258064 1018991249 /nfs/dbraw/zinc/99/12/49/1018991249.db2.gz PKBNKALMIPIGBU-DLBZAZTESA-N 2 1 320.481 0.520 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001493151840 1019149466 /nfs/dbraw/zinc/14/94/66/1019149466.db2.gz QCOFZFDYXAMJKS-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001498499054 1019170050 /nfs/dbraw/zinc/17/00/50/1019170050.db2.gz WRJAOTOQBAUPNY-JKSUJKDBSA-N 2 1 307.438 0.607 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001493224506 1019223026 /nfs/dbraw/zinc/22/30/26/1019223026.db2.gz YQDYOHNBTXKDPP-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496706087 1019554415 /nfs/dbraw/zinc/55/44/15/1019554415.db2.gz BKGCLBACSDGNLI-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000367494799 239147117 /nfs/dbraw/zinc/14/71/17/239147117.db2.gz HPQKQTLXIONAFA-BZUAXINKSA-N 2 1 322.453 0.932 20 30 DCEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264115305 533421843 /nfs/dbraw/zinc/42/18/43/533421843.db2.gz PRNOWDHPIDOZOQ-UHFFFAOYSA-N 2 1 306.410 0.822 20 30 DCEDMP C[NH+]1CC[C@H]2CN(CC#CCN3C[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]21 ZINC000625459625 396880977 /nfs/dbraw/zinc/88/09/77/396880977.db2.gz MXQXXMRKCBOYPE-FZDBZEDMSA-N 2 1 302.466 0.262 20 30 DCEDMP C[NH+]1CC[C@@H]2CN(CC#CCN3C[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000625459625 396880983 /nfs/dbraw/zinc/88/09/83/396880983.db2.gz MXQXXMRKCBOYPE-FZDBZEDMSA-N 2 1 302.466 0.262 20 30 DCEDMP C[NH+]1CC[C@@H]2CN(CC#CCN3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000625459625 396880986 /nfs/dbraw/zinc/88/09/86/396880986.db2.gz MXQXXMRKCBOYPE-FZDBZEDMSA-N 2 1 302.466 0.262 20 30 DCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492881 397192446 /nfs/dbraw/zinc/19/24/46/397192446.db2.gz GIXRWRMGGNLDJC-KGLIPLIRSA-N 2 1 308.426 0.710 20 30 DCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000491202243 397501354 /nfs/dbraw/zinc/50/13/54/397501354.db2.gz NAAFPIGMGQLLFH-JKSUJKDBSA-N 2 1 306.454 0.084 20 30 DCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)[C@H](C)C1 ZINC000329427259 416169918 /nfs/dbraw/zinc/16/99/18/416169918.db2.gz JCUWHQIOSKTHKK-KNCOVGOOSA-N 2 1 324.469 0.770 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000491634314 416608760 /nfs/dbraw/zinc/60/87/60/416608760.db2.gz RBWFRRZKOATKAG-UHFFFAOYSA-N 2 1 323.485 0.220 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000491634314 416608764 /nfs/dbraw/zinc/60/87/64/416608764.db2.gz RBWFRRZKOATKAG-UHFFFAOYSA-N 2 1 323.485 0.220 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000491634314 416608767 /nfs/dbraw/zinc/60/87/67/416608767.db2.gz RBWFRRZKOATKAG-UHFFFAOYSA-N 2 1 323.485 0.220 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000491652939 416610134 /nfs/dbraw/zinc/61/01/34/416610134.db2.gz BCBBMASUAPIKPX-MRXNPFEDSA-N 2 1 324.469 0.742 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000491652939 416610137 /nfs/dbraw/zinc/61/01/37/416610137.db2.gz BCBBMASUAPIKPX-MRXNPFEDSA-N 2 1 324.469 0.742 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000491652939 416610144 /nfs/dbraw/zinc/61/01/44/416610144.db2.gz BCBBMASUAPIKPX-MRXNPFEDSA-N 2 1 324.469 0.742 20 30 DCEDMP C=CCCn1cc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)nn1 ZINC000657310664 417848382 /nfs/dbraw/zinc/84/83/82/417848382.db2.gz ORHZDWZGIBKLJK-HNNXBMFYSA-N 2 1 306.458 0.970 20 30 DCEDMP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661620460 418351980 /nfs/dbraw/zinc/35/19/80/418351980.db2.gz AJHCKUHZNSQKIQ-YXISZKLHSA-N 2 1 308.466 0.887 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000267475319 276184204 /nfs/dbraw/zinc/18/42/04/276184204.db2.gz ZFMCDZLVSIJKIM-LBPRGKRZSA-N 2 1 307.446 0.375 20 30 DCEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000346511274 278148743 /nfs/dbraw/zinc/14/87/43/278148743.db2.gz VVQPSRWWOSIRAH-OAHLLOKOSA-N 2 1 321.469 0.507 20 30 DCEDMP CC[C@@H]1CN(C(NC[C@H]2C[N@@H+](C)CCN2C)=[NH+]C)CCS1 ZINC000261937926 280339992 /nfs/dbraw/zinc/33/99/92/280339992.db2.gz MHEYBEFBCAKXJI-UONOGXRCSA-N 2 1 313.515 0.635 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC#CCOC)CC[N@H+]1C ZINC001567216724 1160276729 /nfs/dbraw/zinc/27/67/29/1160276729.db2.gz XACUORDSKWVVCV-OWCLPIDISA-N 2 1 309.454 0.851 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001568277373 1160619240 /nfs/dbraw/zinc/61/92/40/1160619240.db2.gz WUJTZQYRBVUOIJ-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001569752954 1161225499 /nfs/dbraw/zinc/22/54/99/1161225499.db2.gz RLPKUFQFJHOFPB-DOTOQJQBSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001569752954 1161225504 /nfs/dbraw/zinc/22/55/04/1161225504.db2.gz RLPKUFQFJHOFPB-DOTOQJQBSA-N 2 1 307.438 0.293 20 30 DCEDMP C[NH+]=C(NCC1(CO)CCOCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262084268 526350662 /nfs/dbraw/zinc/35/06/62/526350662.db2.gz XWURUPZCXJGRQR-CYBMUJFWSA-N 2 1 310.442 0.177 20 30 DCEDMP C[NH+]=C(NCC1(CO)CCOCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262084268 526350665 /nfs/dbraw/zinc/35/06/65/526350665.db2.gz XWURUPZCXJGRQR-CYBMUJFWSA-N 2 1 310.442 0.177 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000262742667 526371613 /nfs/dbraw/zinc/37/16/13/526371613.db2.gz FBCOJKCJPNZWOK-KBPBESRZSA-N 2 1 305.470 0.872 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000262742667 526371617 /nfs/dbraw/zinc/37/16/17/526371617.db2.gz FBCOJKCJPNZWOK-KBPBESRZSA-N 3 1 305.470 0.872 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000262742667 526371621 /nfs/dbraw/zinc/37/16/21/526371621.db2.gz FBCOJKCJPNZWOK-KBPBESRZSA-N 3 1 305.470 0.872 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262742667 526371623 /nfs/dbraw/zinc/37/16/23/526371623.db2.gz FBCOJKCJPNZWOK-KBPBESRZSA-N 3 1 305.470 0.872 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262742667 526371624 /nfs/dbraw/zinc/37/16/24/526371624.db2.gz FBCOJKCJPNZWOK-KBPBESRZSA-N 3 1 305.470 0.872 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978338810 660524880 /nfs/dbraw/zinc/52/48/80/660524880.db2.gz PTEHZMKSCCNPNC-DGXTUMSLSA-N 2 1 305.422 0.023 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978338810 660524882 /nfs/dbraw/zinc/52/48/82/660524882.db2.gz PTEHZMKSCCNPNC-DGXTUMSLSA-N 2 1 305.422 0.023 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978338810 660524884 /nfs/dbraw/zinc/52/48/84/660524884.db2.gz PTEHZMKSCCNPNC-DGXTUMSLSA-N 2 1 305.422 0.023 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978338810 660524885 /nfs/dbraw/zinc/52/48/85/660524885.db2.gz PTEHZMKSCCNPNC-DGXTUMSLSA-N 2 1 305.422 0.023 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978644318 660579787 /nfs/dbraw/zinc/57/97/87/660579787.db2.gz ZNXNHTIUVCDKOS-NXOAAHMSSA-N 2 1 319.449 0.413 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978644318 660579788 /nfs/dbraw/zinc/57/97/88/660579788.db2.gz ZNXNHTIUVCDKOS-NXOAAHMSSA-N 2 1 319.449 0.413 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978644318 660579790 /nfs/dbraw/zinc/57/97/90/660579790.db2.gz ZNXNHTIUVCDKOS-NXOAAHMSSA-N 2 1 319.449 0.413 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001022220529 657566802 /nfs/dbraw/zinc/56/68/02/657566802.db2.gz IKHFLEJMYWVSES-XHSDSOJGSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001022220529 657566809 /nfs/dbraw/zinc/56/68/09/657566809.db2.gz IKHFLEJMYWVSES-XHSDSOJGSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001022220781 657567551 /nfs/dbraw/zinc/56/75/51/657567551.db2.gz PCEATCTXQDEDFO-LZWOXQAQSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001022220781 657567556 /nfs/dbraw/zinc/56/75/56/657567556.db2.gz PCEATCTXQDEDFO-LZWOXQAQSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001023447079 657875503 /nfs/dbraw/zinc/87/55/03/657875503.db2.gz FIXMBKOBORANOX-HUUCEWRRSA-N 2 1 300.406 0.907 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452385 657883322 /nfs/dbraw/zinc/88/33/22/657883322.db2.gz YUMAICXWDWCQLN-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452385 657883328 /nfs/dbraw/zinc/88/33/28/657883328.db2.gz YUMAICXWDWCQLN-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023452385 657883334 /nfs/dbraw/zinc/88/33/34/657883334.db2.gz YUMAICXWDWCQLN-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023452385 657883338 /nfs/dbraw/zinc/88/33/38/657883338.db2.gz YUMAICXWDWCQLN-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640871 658142906 /nfs/dbraw/zinc/14/29/06/658142906.db2.gz NMWJAUVISQLVPN-SFHVURJKSA-N 2 1 319.449 0.962 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757865 658210816 /nfs/dbraw/zinc/21/08/16/658210816.db2.gz PIACNYPSAITNQD-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001023757865 658210806 /nfs/dbraw/zinc/21/08/06/658210806.db2.gz PIACNYPSAITNQD-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023757865 658210811 /nfs/dbraw/zinc/21/08/11/658210811.db2.gz PIACNYPSAITNQD-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757865 658210821 /nfs/dbraw/zinc/21/08/21/658210821.db2.gz PIACNYPSAITNQD-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757865 658210827 /nfs/dbraw/zinc/21/08/27/658210827.db2.gz PIACNYPSAITNQD-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970170215 658688119 /nfs/dbraw/zinc/68/81/19/658688119.db2.gz QJAJVTIODZKTIE-GEMJLEDKSA-N 2 1 319.449 0.862 20 30 DCEDMP COC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCCC1 ZINC000187040638 659293265 /nfs/dbraw/zinc/29/32/65/659293265.db2.gz JMPQAHVHJNTJJK-UHFFFAOYSA-N 2 1 312.458 0.962 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC000949188892 661370716 /nfs/dbraw/zinc/37/07/16/661370716.db2.gz DPGSSIAHKXPAKC-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CC)CN2CCOCC2)C1 ZINC000924034923 661390286 /nfs/dbraw/zinc/39/02/86/661390286.db2.gz GFDHOCNKCWLAKW-HOTGVXAUSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799562 661830808 /nfs/dbraw/zinc/83/08/08/661830808.db2.gz CSXOYGLWYGDXOA-LSDHHAIUSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799562 661830810 /nfs/dbraw/zinc/83/08/10/661830810.db2.gz CSXOYGLWYGDXOA-LSDHHAIUSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028857171 661852597 /nfs/dbraw/zinc/85/25/97/661852597.db2.gz VAQFDHYUGYOVEG-AWEZNQCLSA-N 2 1 303.410 0.130 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000983902685 662073337 /nfs/dbraw/zinc/07/33/37/662073337.db2.gz YHRQYUPAGGMMHI-QAETUUGQSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000983902685 662073338 /nfs/dbraw/zinc/07/33/38/662073338.db2.gz YHRQYUPAGGMMHI-QAETUUGQSA-N 2 1 319.449 0.605 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000940806775 665851202 /nfs/dbraw/zinc/85/12/02/665851202.db2.gz AESWRMGUIAUEAW-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOC)CC1(C)C ZINC000940806775 665851203 /nfs/dbraw/zinc/85/12/03/665851203.db2.gz AESWRMGUIAUEAW-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC)CC1(C)C ZINC000940806775 665851204 /nfs/dbraw/zinc/85/12/04/665851204.db2.gz AESWRMGUIAUEAW-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC)CC1(C)C ZINC000940806775 665851205 /nfs/dbraw/zinc/85/12/05/665851205.db2.gz AESWRMGUIAUEAW-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCOCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000753384814 662788965 /nfs/dbraw/zinc/78/89/65/662788965.db2.gz SFSFIOYXNSTAPQ-INIZCTEOSA-N 2 1 324.469 0.694 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@@H](C)OC)CC1 ZINC001000790153 665928664 /nfs/dbraw/zinc/92/86/64/665928664.db2.gz GEMVXXUAMGNZQY-WBVHZDCISA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@@H](C)OC)CC1 ZINC001000790153 665928668 /nfs/dbraw/zinc/92/86/68/665928668.db2.gz GEMVXXUAMGNZQY-WBVHZDCISA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H](C)OC)CC1 ZINC001000790153 665928670 /nfs/dbraw/zinc/92/86/70/665928670.db2.gz GEMVXXUAMGNZQY-WBVHZDCISA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H](C)OC)CC1 ZINC001000790153 665928674 /nfs/dbraw/zinc/92/86/74/665928674.db2.gz GEMVXXUAMGNZQY-WBVHZDCISA-N 2 1 319.449 0.867 20 30 DCEDMP CCOC(=O)C[C@@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000089596149 664960050 /nfs/dbraw/zinc/96/00/50/664960050.db2.gz YNPFNOAWLACRSE-CYBMUJFWSA-N 2 1 314.430 0.202 20 30 DCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727645 665349371 /nfs/dbraw/zinc/34/93/71/665349371.db2.gz NNUWDJWKCRGFDQ-MRXNPFEDSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727645 665349372 /nfs/dbraw/zinc/34/93/72/665349372.db2.gz NNUWDJWKCRGFDQ-MRXNPFEDSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941460263 666000316 /nfs/dbraw/zinc/00/03/16/666000316.db2.gz NRRBTIKVRGDGOA-QGZVFWFLSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941460263 666000318 /nfs/dbraw/zinc/00/03/18/666000318.db2.gz NRRBTIKVRGDGOA-QGZVFWFLSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943516352 666290484 /nfs/dbraw/zinc/29/04/84/666290484.db2.gz MAURMJGUZVDAAV-GOEBONIOSA-N 2 1 317.437 0.518 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490520 666731024 /nfs/dbraw/zinc/73/10/24/666731024.db2.gz SPPSJVHDPUAPKC-INIZCTEOSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001034654046 667091408 /nfs/dbraw/zinc/09/14/08/667091408.db2.gz WOLLSELWLHKNEH-VGWMRTNUSA-N 2 1 305.422 0.500 20 30 DCEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035170540 667261839 /nfs/dbraw/zinc/26/18/39/667261839.db2.gz QLYKOCNIPOGJDF-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035170540 667261843 /nfs/dbraw/zinc/26/18/43/667261843.db2.gz QLYKOCNIPOGJDF-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035170540 667261846 /nfs/dbraw/zinc/26/18/46/667261846.db2.gz QLYKOCNIPOGJDF-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035170540 667261848 /nfs/dbraw/zinc/26/18/48/667261848.db2.gz QLYKOCNIPOGJDF-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001035374577 667310353 /nfs/dbraw/zinc/31/03/53/667310353.db2.gz CFMWRMGAZHHLIR-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035374577 667310356 /nfs/dbraw/zinc/31/03/56/667310356.db2.gz CFMWRMGAZHHLIR-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035374577 667310359 /nfs/dbraw/zinc/31/03/59/667310359.db2.gz CFMWRMGAZHHLIR-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035374577 667310361 /nfs/dbraw/zinc/31/03/61/667310361.db2.gz CFMWRMGAZHHLIR-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001036095371 667424860 /nfs/dbraw/zinc/42/48/60/667424860.db2.gz LQFAAKYBHBOKNT-TZMCWYRMSA-N 2 1 304.394 0.810 20 30 DCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005883169 667458250 /nfs/dbraw/zinc/45/82/50/667458250.db2.gz PKKNCKUAPBYSQK-INIZCTEOSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005883169 667458251 /nfs/dbraw/zinc/45/82/51/667458251.db2.gz PKKNCKUAPBYSQK-INIZCTEOSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884197729 667495598 /nfs/dbraw/zinc/49/55/98/667495598.db2.gz CRELHUYXIZJVMJ-GJZGRUSLSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884197729 667495600 /nfs/dbraw/zinc/49/56/00/667495600.db2.gz CRELHUYXIZJVMJ-GJZGRUSLSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884197729 667495601 /nfs/dbraw/zinc/49/56/01/667495601.db2.gz CRELHUYXIZJVMJ-GJZGRUSLSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000884197729 667495604 /nfs/dbraw/zinc/49/56/04/667495604.db2.gz CRELHUYXIZJVMJ-GJZGRUSLSA-N 2 1 304.438 0.868 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000884197729 667495605 /nfs/dbraw/zinc/49/56/05/667495605.db2.gz CRELHUYXIZJVMJ-GJZGRUSLSA-N 2 1 304.438 0.868 20 30 DCEDMP C#C[C@@H]1COCCN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000838475410 667693402 /nfs/dbraw/zinc/69/34/02/667693402.db2.gz CXSBOFPZXNQGGB-LSDHHAIUSA-N 2 1 320.437 0.199 20 30 DCEDMP C#C[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCO1 ZINC000839564246 668117403 /nfs/dbraw/zinc/11/74/03/668117403.db2.gz PCOHVWLCLKFZIK-HOTGVXAUSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000890361161 668118814 /nfs/dbraw/zinc/11/88/14/668118814.db2.gz KZOQATZVOKPFAW-GJZGRUSLSA-N 2 1 322.453 0.228 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000890361161 668118816 /nfs/dbraw/zinc/11/88/16/668118816.db2.gz KZOQATZVOKPFAW-GJZGRUSLSA-N 2 1 322.453 0.228 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000890361161 668118818 /nfs/dbraw/zinc/11/88/18/668118818.db2.gz KZOQATZVOKPFAW-GJZGRUSLSA-N 2 1 322.453 0.228 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000890361161 668118822 /nfs/dbraw/zinc/11/88/22/668118822.db2.gz KZOQATZVOKPFAW-GJZGRUSLSA-N 2 1 322.453 0.228 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000890363366 668119448 /nfs/dbraw/zinc/11/94/48/668119448.db2.gz NDLYLWRWWZWDQZ-INIZCTEOSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000890363366 668119450 /nfs/dbraw/zinc/11/94/50/668119450.db2.gz NDLYLWRWWZWDQZ-INIZCTEOSA-N 2 1 323.485 0.267 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000876712751 668493388 /nfs/dbraw/zinc/49/33/88/668493388.db2.gz JIJZOKFJOBAYFF-QWHCGFSZSA-N 2 1 303.834 0.929 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000876780379 668509620 /nfs/dbraw/zinc/50/96/20/668509620.db2.gz GAPWMORMYXOUDP-ZDUSSCGKSA-N 2 1 302.850 0.600 20 30 DCEDMP CC[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772985496 668790694 /nfs/dbraw/zinc/79/06/94/668790694.db2.gz SFNAWNZKCSFNJW-JJLJGCLUSA-N 2 1 306.410 0.833 20 30 DCEDMP C[NH+](C)CC1(O)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000931484237 669210922 /nfs/dbraw/zinc/21/09/22/669210922.db2.gz LTZHSMVQELGHQV-UHFFFAOYSA-N 2 1 321.425 0.031 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856429768 670818609 /nfs/dbraw/zinc/81/86/09/670818609.db2.gz MIIHWMUJLJVYLU-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856429768 670818613 /nfs/dbraw/zinc/81/86/13/670818613.db2.gz MIIHWMUJLJVYLU-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccn2C)C1 ZINC001020250368 693745684 /nfs/dbraw/zinc/74/56/84/693745684.db2.gz DNJYSZZQQXOTRO-KKUMJFAQSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccn2C)C1 ZINC001020250368 693745686 /nfs/dbraw/zinc/74/56/86/693745686.db2.gz DNJYSZZQQXOTRO-KKUMJFAQSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024701588 693819344 /nfs/dbraw/zinc/81/93/44/693819344.db2.gz GKENGLMAAPSHGN-MRXNPFEDSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024701588 693819347 /nfs/dbraw/zinc/81/93/47/693819347.db2.gz GKENGLMAAPSHGN-MRXNPFEDSA-N 2 1 317.437 0.662 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000303876873 685207006 /nfs/dbraw/zinc/20/70/06/685207006.db2.gz FBWSKWUXIIBXBE-JKSUJKDBSA-N 3 1 324.517 0.401 20 30 DCEDMP Cc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000304753646 685211562 /nfs/dbraw/zinc/21/15/62/685211562.db2.gz LFDQFYJMWNXKIU-UHFFFAOYSA-N 2 1 305.426 0.559 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481154 687694582 /nfs/dbraw/zinc/69/45/82/687694582.db2.gz NLOYMNMPMWNZBJ-SJORKVTESA-N 2 1 317.433 0.957 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958581156 687769406 /nfs/dbraw/zinc/76/94/06/687769406.db2.gz MVKOECVUYFGVGL-IRXDYDNUSA-N 2 1 319.449 0.151 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597747 687785489 /nfs/dbraw/zinc/78/54/89/687785489.db2.gz FVICCEDMCQNCBB-CJNGLKHVSA-N 2 1 318.421 0.746 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597747 687785496 /nfs/dbraw/zinc/78/54/96/687785496.db2.gz FVICCEDMCQNCBB-CJNGLKHVSA-N 2 1 318.421 0.746 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(=C)C)C[C@H]2O)CC1 ZINC000958724587 687878618 /nfs/dbraw/zinc/87/86/18/687878618.db2.gz QMQMDYXJNNMNSC-DLBZAZTESA-N 2 1 319.449 0.317 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961180320 688563605 /nfs/dbraw/zinc/56/36/05/688563605.db2.gz FYUGSJAEOCEGMB-UOIKSKOESA-N 2 1 312.417 0.832 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961180320 688563610 /nfs/dbraw/zinc/56/36/10/688563610.db2.gz FYUGSJAEOCEGMB-UOIKSKOESA-N 2 1 312.417 0.832 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961769452 688727995 /nfs/dbraw/zinc/72/79/95/688727995.db2.gz GRLBTHYVEJEXMY-ARLBYUKCSA-N 2 1 300.406 0.986 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961769452 688727998 /nfs/dbraw/zinc/72/79/98/688727998.db2.gz GRLBTHYVEJEXMY-ARLBYUKCSA-N 2 1 300.406 0.986 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CC4)C[C@H]32)CC1 ZINC000962780107 688978368 /nfs/dbraw/zinc/97/83/68/688978368.db2.gz SAZJLZVYJAAVJV-FVQHAEBGSA-N 2 1 301.434 0.788 20 30 DCEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000963654428 689079850 /nfs/dbraw/zinc/07/98/50/689079850.db2.gz XQHZDLTWAKWPDR-UKEPKTAJSA-N 2 1 307.438 0.910 20 30 DCEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000963654428 689079853 /nfs/dbraw/zinc/07/98/53/689079853.db2.gz XQHZDLTWAKWPDR-UKEPKTAJSA-N 2 1 307.438 0.910 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000968956172 690435097 /nfs/dbraw/zinc/43/50/97/690435097.db2.gz CINRUCBQZWTEHE-IKGGRYGDSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000968956172 690435100 /nfs/dbraw/zinc/43/51/00/690435100.db2.gz CINRUCBQZWTEHE-IKGGRYGDSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990585 690784243 /nfs/dbraw/zinc/78/42/43/690784243.db2.gz OTERQRFYVKJACT-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990585 690784246 /nfs/dbraw/zinc/78/42/46/690784246.db2.gz OTERQRFYVKJACT-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007990585 690784251 /nfs/dbraw/zinc/78/42/51/690784251.db2.gz OTERQRFYVKJACT-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007990585 690784254 /nfs/dbraw/zinc/78/42/54/690784254.db2.gz OTERQRFYVKJACT-DGNOSDGRSA-N 2 1 303.406 0.063 20 30 DCEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040537892 694566647 /nfs/dbraw/zinc/56/66/47/694566647.db2.gz DFIOQMZCKHUEDM-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040537892 694566650 /nfs/dbraw/zinc/56/66/50/694566650.db2.gz DFIOQMZCKHUEDM-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040537892 694566651 /nfs/dbraw/zinc/56/66/51/694566651.db2.gz DFIOQMZCKHUEDM-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040537892 694566655 /nfs/dbraw/zinc/56/66/55/694566655.db2.gz DFIOQMZCKHUEDM-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001073697527 694769223 /nfs/dbraw/zinc/76/92/23/694769223.db2.gz LOMJHGXMZYXGMG-MRXNPFEDSA-N 2 1 312.373 0.788 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001073697527 694769225 /nfs/dbraw/zinc/76/92/25/694769225.db2.gz LOMJHGXMZYXGMG-MRXNPFEDSA-N 2 1 312.373 0.788 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001019800574 693591328 /nfs/dbraw/zinc/59/13/28/693591328.db2.gz PLWLDKAHIKJGSP-STQMWFEESA-N 2 1 301.818 0.650 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800574 693591330 /nfs/dbraw/zinc/59/13/30/693591330.db2.gz PLWLDKAHIKJGSP-STQMWFEESA-N 2 1 301.818 0.650 20 30 DCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983108 694691174 /nfs/dbraw/zinc/69/11/74/694691174.db2.gz LJDYTMMKOLEEQQ-OAHLLOKOSA-N 2 1 312.417 0.921 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983108 694691175 /nfs/dbraw/zinc/69/11/75/694691175.db2.gz LJDYTMMKOLEEQQ-OAHLLOKOSA-N 2 1 312.417 0.921 20 30 DCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059838 694699689 /nfs/dbraw/zinc/69/96/89/694699689.db2.gz WVPROCSKDRRUKB-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059838 694699690 /nfs/dbraw/zinc/69/96/90/694699690.db2.gz WVPROCSKDRRUKB-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073661780 694761676 /nfs/dbraw/zinc/76/16/76/694761676.db2.gz COOWSAINBFFUKK-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661780 694761677 /nfs/dbraw/zinc/76/16/77/694761677.db2.gz COOWSAINBFFUKK-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661780 694761678 /nfs/dbraw/zinc/76/16/78/694761678.db2.gz COOWSAINBFFUKK-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073862871 694793800 /nfs/dbraw/zinc/79/38/00/694793800.db2.gz ZFKPACLNHGTWQN-OAHLLOKOSA-N 2 1 305.422 0.313 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576662 695029364 /nfs/dbraw/zinc/02/93/64/695029364.db2.gz UURPCNQMYDSHLX-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576662 695029365 /nfs/dbraw/zinc/02/93/65/695029365.db2.gz UURPCNQMYDSHLX-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001570710029 1162591513 /nfs/dbraw/zinc/59/15/13/1162591513.db2.gz ADVJZWDVFHFRHH-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001570710029 1162591524 /nfs/dbraw/zinc/59/15/24/1162591524.db2.gz ADVJZWDVFHFRHH-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001570710029 1162591530 /nfs/dbraw/zinc/59/15/30/1162591530.db2.gz ADVJZWDVFHFRHH-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001570710029 1162591544 /nfs/dbraw/zinc/59/15/44/1162591544.db2.gz ADVJZWDVFHFRHH-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001571353594 1162715120 /nfs/dbraw/zinc/71/51/20/1162715120.db2.gz CPEPTCIMXMPAFC-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001571443924 1162758716 /nfs/dbraw/zinc/75/87/16/1162758716.db2.gz BCQZAGIWMHIRBN-IAGOWNOFSA-N 2 1 317.433 0.769 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001571490183 1162780764 /nfs/dbraw/zinc/78/07/64/1162780764.db2.gz ANTULCNDMVIUDD-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691798998 1157580418 /nfs/dbraw/zinc/58/04/18/1157580418.db2.gz XYHCDWHJCKQHQC-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691798998 1157580425 /nfs/dbraw/zinc/58/04/25/1157580425.db2.gz XYHCDWHJCKQHQC-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691798998 1157580429 /nfs/dbraw/zinc/58/04/29/1157580429.db2.gz XYHCDWHJCKQHQC-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cc(C)on2)CC1 ZINC001691619383 1158360362 /nfs/dbraw/zinc/36/03/62/1158360362.db2.gz MHUWGVOIZBFTRG-UHFFFAOYSA-N 2 1 318.421 0.876 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001566768289 1159848466 /nfs/dbraw/zinc/84/84/66/1159848466.db2.gz HIYYWOHXETWBDL-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001566036265 1159951571 /nfs/dbraw/zinc/95/15/71/1159951571.db2.gz XMYRZSGXXGQKFP-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001566036265 1159951573 /nfs/dbraw/zinc/95/15/73/1159951573.db2.gz XMYRZSGXXGQKFP-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001566036265 1159951577 /nfs/dbraw/zinc/95/15/77/1159951577.db2.gz XMYRZSGXXGQKFP-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC001566461516 1159991673 /nfs/dbraw/zinc/99/16/73/1159991673.db2.gz DXROFDXSSAARBE-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC001566461516 1159991679 /nfs/dbraw/zinc/99/16/79/1159991679.db2.gz DXROFDXSSAARBE-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C[C@@H]1CCCOC1 ZINC001566461516 1159991685 /nfs/dbraw/zinc/99/16/85/1159991685.db2.gz DXROFDXSSAARBE-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C[C@@H]1CCCOC1 ZINC001566461516 1159991690 /nfs/dbraw/zinc/99/16/90/1159991690.db2.gz DXROFDXSSAARBE-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001566927460 1160186916 /nfs/dbraw/zinc/18/69/16/1160186916.db2.gz QYFJYGAVSXXAHB-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001566927460 1160186924 /nfs/dbraw/zinc/18/69/24/1160186924.db2.gz QYFJYGAVSXXAHB-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001568193342 1160595733 /nfs/dbraw/zinc/59/57/33/1160595733.db2.gz AOBWAZDSEMIEAK-HNNXBMFYSA-N 2 1 311.470 0.956 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568580435 1160693116 /nfs/dbraw/zinc/69/31/16/1160693116.db2.gz AYSBBKHBMLZTTR-BBWFWOEESA-N 2 1 317.433 0.585 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569752954 1161225493 /nfs/dbraw/zinc/22/54/93/1161225493.db2.gz RLPKUFQFJHOFPB-DOTOQJQBSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001569764797 1161233725 /nfs/dbraw/zinc/23/37/25/1161233725.db2.gz FVAVBEWIAUJGJL-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001569854413 1161285905 /nfs/dbraw/zinc/28/59/05/1161285905.db2.gz BJWZONGJUHXKPS-HOTGVXAUSA-N 2 1 309.454 0.661 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001569856571 1161286624 /nfs/dbraw/zinc/28/66/24/1161286624.db2.gz VITCPHQHOIAINV-CABCVRRESA-N 2 1 324.469 0.313 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001570274656 1161531726 /nfs/dbraw/zinc/53/17/26/1161531726.db2.gz IOOGLFDCHMTIBF-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CCn1cc[nH+]c1C ZINC001574615095 1163736576 /nfs/dbraw/zinc/73/65/76/1163736576.db2.gz TVJIPORRNRUDGA-AWEZNQCLSA-N 2 1 313.409 0.977 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC001574937513 1163806972 /nfs/dbraw/zinc/80/69/72/1163806972.db2.gz YSURLVHFRRTZTL-UONOGXRCSA-N 2 1 304.398 0.161 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC001574937513 1163806979 /nfs/dbraw/zinc/80/69/79/1163806979.db2.gz YSURLVHFRRTZTL-UONOGXRCSA-N 2 1 304.398 0.161 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC001574937512 1163807885 /nfs/dbraw/zinc/80/78/85/1163807885.db2.gz YSURLVHFRRTZTL-KGLIPLIRSA-N 2 1 304.398 0.161 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC001574937512 1163807891 /nfs/dbraw/zinc/80/78/91/1163807891.db2.gz YSURLVHFRRTZTL-KGLIPLIRSA-N 2 1 304.398 0.161 20 30 DCEDMP C[N@H+]1CCCN(CCCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001578530765 1165046800 /nfs/dbraw/zinc/04/68/00/1165046800.db2.gz PZXZYQUMNMTSMC-HNNXBMFYSA-N 2 1 309.458 0.541 20 30 DCEDMP CN1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001578530765 1165046809 /nfs/dbraw/zinc/04/68/09/1165046809.db2.gz PZXZYQUMNMTSMC-HNNXBMFYSA-N 2 1 309.458 0.541 20 30 DCEDMP CN1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001578530765 1165046820 /nfs/dbraw/zinc/04/68/20/1165046820.db2.gz PZXZYQUMNMTSMC-HNNXBMFYSA-N 2 1 309.458 0.541 20 30 DCEDMP C[N@H+]1CCCN(CCCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001578530766 1165047179 /nfs/dbraw/zinc/04/71/79/1165047179.db2.gz PZXZYQUMNMTSMC-OAHLLOKOSA-N 2 1 309.458 0.541 20 30 DCEDMP CN1CCC[N@H+](CCCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001578530766 1165047187 /nfs/dbraw/zinc/04/71/87/1165047187.db2.gz PZXZYQUMNMTSMC-OAHLLOKOSA-N 2 1 309.458 0.541 20 30 DCEDMP CN1CCC[N@@H+](CCCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001578530766 1165047194 /nfs/dbraw/zinc/04/71/94/1165047194.db2.gz PZXZYQUMNMTSMC-OAHLLOKOSA-N 2 1 309.458 0.541 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001656138034 1173845150 /nfs/dbraw/zinc/84/51/50/1173845150.db2.gz QRERSSIHNHGMLZ-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001656860127 1173890627 /nfs/dbraw/zinc/89/06/27/1173890627.db2.gz NMUVEBTWMJIXRC-QGZVFWFLSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cnn(C)c1 ZINC001660174874 1173956191 /nfs/dbraw/zinc/95/61/91/1173956191.db2.gz WKNJBYBYGJXLAC-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cnn(C)c1 ZINC001660174874 1173956194 /nfs/dbraw/zinc/95/61/94/1173956194.db2.gz WKNJBYBYGJXLAC-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cnn(C)c1 ZINC001660174874 1173956202 /nfs/dbraw/zinc/95/62/02/1173956202.db2.gz WKNJBYBYGJXLAC-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cnn(C)c1 ZINC001660174874 1173956208 /nfs/dbraw/zinc/95/62/08/1173956208.db2.gz WKNJBYBYGJXLAC-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001661742930 1174154238 /nfs/dbraw/zinc/15/42/38/1174154238.db2.gz HFQCYTHRRPKXAG-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001661895402 1174168682 /nfs/dbraw/zinc/16/86/82/1174168682.db2.gz DZMWDXAOUMQZRN-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001661995225 1174174301 /nfs/dbraw/zinc/17/43/01/1174174301.db2.gz DZACZSSBGGAYEL-LSDHHAIUSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001662686069 1174232104 /nfs/dbraw/zinc/23/21/04/1174232104.db2.gz VQFNFQRULLHVFJ-LSDHHAIUSA-N 2 1 322.453 0.069 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001663645456 1174338075 /nfs/dbraw/zinc/33/80/75/1174338075.db2.gz VHOVIGYCBCNYQV-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001663645456 1174338082 /nfs/dbraw/zinc/33/80/82/1174338082.db2.gz VHOVIGYCBCNYQV-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001663645456 1174338087 /nfs/dbraw/zinc/33/80/87/1174338087.db2.gz VHOVIGYCBCNYQV-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001664467620 1174434103 /nfs/dbraw/zinc/43/41/03/1174434103.db2.gz NKFZKFVGJHOIQS-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001664467620 1174434109 /nfs/dbraw/zinc/43/41/09/1174434109.db2.gz NKFZKFVGJHOIQS-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001664850056 1174466548 /nfs/dbraw/zinc/46/65/48/1174466548.db2.gz WJCNBQILTIBYII-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001664850056 1174466556 /nfs/dbraw/zinc/46/65/56/1174466556.db2.gz WJCNBQILTIBYII-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001664850056 1174466559 /nfs/dbraw/zinc/46/65/59/1174466559.db2.gz WJCNBQILTIBYII-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001665363189 1174509800 /nfs/dbraw/zinc/50/98/00/1174509800.db2.gz UZPQGWGTPQMUIH-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001665363189 1174509807 /nfs/dbraw/zinc/50/98/07/1174509807.db2.gz UZPQGWGTPQMUIH-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001665686449 1174550166 /nfs/dbraw/zinc/55/01/66/1174550166.db2.gz JZTWUGMRSMDADX-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001665686449 1174550170 /nfs/dbraw/zinc/55/01/70/1174550170.db2.gz JZTWUGMRSMDADX-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001665686449 1174550173 /nfs/dbraw/zinc/55/01/73/1174550173.db2.gz JZTWUGMRSMDADX-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001665686449 1174550177 /nfs/dbraw/zinc/55/01/77/1174550177.db2.gz JZTWUGMRSMDADX-AWEZNQCLSA-N 2 1 310.442 0.162 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001667939947 1174736276 /nfs/dbraw/zinc/73/62/76/1174736276.db2.gz VBFYLNVCYWSHPV-INIZCTEOSA-N 2 1 303.406 0.208 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001667939947 1174736281 /nfs/dbraw/zinc/73/62/81/1174736281.db2.gz VBFYLNVCYWSHPV-INIZCTEOSA-N 2 1 303.406 0.208 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001668381849 1174789487 /nfs/dbraw/zinc/78/94/87/1174789487.db2.gz MBITYOJYFZDGJG-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001672018519 1175063664 /nfs/dbraw/zinc/06/36/64/1175063664.db2.gz GVEVVJGIGCXMHE-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001672018519 1175063672 /nfs/dbraw/zinc/06/36/72/1175063672.db2.gz GVEVVJGIGCXMHE-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001672018519 1175063662 /nfs/dbraw/zinc/06/36/62/1175063662.db2.gz GVEVVJGIGCXMHE-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001672487400 1175115028 /nfs/dbraw/zinc/11/50/28/1175115028.db2.gz TUORZUNUOXEEEF-SJLPKXTDSA-N 2 1 321.465 0.847 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001673671876 1175222493 /nfs/dbraw/zinc/22/24/93/1175222493.db2.gz QGPPYRCTICKVHM-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001674080656 1175251270 /nfs/dbraw/zinc/25/12/70/1175251270.db2.gz YXPBSQXKFMZKKO-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001675360409 1175351506 /nfs/dbraw/zinc/35/15/06/1175351506.db2.gz YKYPAPWHMDEHIJ-CABCVRRESA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001675559976 1175373190 /nfs/dbraw/zinc/37/31/90/1175373190.db2.gz UVPKNCWTHPZCFC-YHUYYLMFSA-N 2 1 307.438 0.435 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001675559976 1175373195 /nfs/dbraw/zinc/37/31/95/1175373195.db2.gz UVPKNCWTHPZCFC-YHUYYLMFSA-N 2 1 307.438 0.435 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001675559976 1175373197 /nfs/dbraw/zinc/37/31/97/1175373197.db2.gz UVPKNCWTHPZCFC-YHUYYLMFSA-N 2 1 307.438 0.435 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001677168570 1175542741 /nfs/dbraw/zinc/54/27/41/1175542741.db2.gz HVHMLQCVKJOZLA-GOEBONIOSA-N 2 1 318.421 0.138 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001677168570 1175542745 /nfs/dbraw/zinc/54/27/45/1175542745.db2.gz HVHMLQCVKJOZLA-GOEBONIOSA-N 2 1 318.421 0.138 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001689069321 1176688382 /nfs/dbraw/zinc/68/83/82/1176688382.db2.gz FSDORANEMNWVHY-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001689452730 1176902266 /nfs/dbraw/zinc/90/22/66/1176902266.db2.gz AQUPKTMQANPWHI-KKUMJFAQSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001689452730 1176902281 /nfs/dbraw/zinc/90/22/81/1176902281.db2.gz AQUPKTMQANPWHI-KKUMJFAQSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001690155579 1177182292 /nfs/dbraw/zinc/18/22/92/1177182292.db2.gz DRLPQBSTTZEWIK-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1 ZINC001690279072 1177204117 /nfs/dbraw/zinc/20/41/17/1177204117.db2.gz QACSKHSWYHBRRZ-ZOBUZTSGSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1 ZINC001690279072 1177204121 /nfs/dbraw/zinc/20/41/21/1177204121.db2.gz QACSKHSWYHBRRZ-ZOBUZTSGSA-N 2 1 319.449 0.890 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001692131577 1177422585 /nfs/dbraw/zinc/42/25/85/1177422585.db2.gz DWFVXPZFOPHUQZ-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001698792327 1177661535 /nfs/dbraw/zinc/66/15/35/1177661535.db2.gz OBVWXUJRWWGGGU-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001698792327 1177661539 /nfs/dbraw/zinc/66/15/39/1177661539.db2.gz OBVWXUJRWWGGGU-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001698946855 1177732869 /nfs/dbraw/zinc/73/28/69/1177732869.db2.gz NNEGNYXDBPCTLB-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699047783 1177796308 /nfs/dbraw/zinc/79/63/08/1177796308.db2.gz ONRNJWRGOBHUNO-HOCLYGCPSA-N 2 1 309.454 0.894 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001699798720 1178289135 /nfs/dbraw/zinc/28/91/35/1178289135.db2.gz KABPVSIXMQIFSC-SJORKVTESA-N 2 1 321.465 0.853 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001699858343 1178320919 /nfs/dbraw/zinc/32/09/19/1178320919.db2.gz ZBLQMIZAEWLJEC-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001699995842 1178413392 /nfs/dbraw/zinc/41/33/92/1178413392.db2.gz VNEVRXBPRUXMOM-UHFFFAOYSA-N 2 1 308.470 0.522 20 30 DCEDMP C=CCOCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001700089079 1178474751 /nfs/dbraw/zinc/47/47/51/1178474751.db2.gz TYVSMUJKXXYZES-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001700308733 1178575219 /nfs/dbraw/zinc/57/52/19/1178575219.db2.gz VSYBFWCEVQISPI-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001713025288 1180634258 /nfs/dbraw/zinc/63/42/58/1180634258.db2.gz ZDQMTVOFEZXDNY-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001713025288 1180634262 /nfs/dbraw/zinc/63/42/62/1180634262.db2.gz ZDQMTVOFEZXDNY-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](CC#CCOC)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001713025288 1180634265 /nfs/dbraw/zinc/63/42/65/1180634265.db2.gz ZDQMTVOFEZXDNY-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713076840 1180669219 /nfs/dbraw/zinc/66/92/19/1180669219.db2.gz HFMHRTNRPRAJAK-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001713457569 1180838368 /nfs/dbraw/zinc/83/83/68/1180838368.db2.gz FTWHSJXWYFORSR-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001713457569 1180838376 /nfs/dbraw/zinc/83/83/76/1180838376.db2.gz FTWHSJXWYFORSR-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001713457569 1180838381 /nfs/dbraw/zinc/83/83/81/1180838381.db2.gz FTWHSJXWYFORSR-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001713457569 1180838389 /nfs/dbraw/zinc/83/83/89/1180838389.db2.gz FTWHSJXWYFORSR-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001713457570 1180838706 /nfs/dbraw/zinc/83/87/06/1180838706.db2.gz FTWHSJXWYFORSR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001713457570 1180838717 /nfs/dbraw/zinc/83/87/17/1180838717.db2.gz FTWHSJXWYFORSR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001713457570 1180838730 /nfs/dbraw/zinc/83/87/30/1180838730.db2.gz FTWHSJXWYFORSR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001713457570 1180838741 /nfs/dbraw/zinc/83/87/41/1180838741.db2.gz FTWHSJXWYFORSR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001713810343 1181086276 /nfs/dbraw/zinc/08/62/76/1181086276.db2.gz BZUZQEDKFZBSOB-KRWDZBQOSA-N 2 1 322.497 0.864 20 30 DCEDMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714049781 1181223154 /nfs/dbraw/zinc/22/31/54/1181223154.db2.gz KRBNBTCAABZPKX-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001714049781 1181223162 /nfs/dbraw/zinc/22/31/62/1181223162.db2.gz KRBNBTCAABZPKX-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001714049781 1181223170 /nfs/dbraw/zinc/22/31/70/1181223170.db2.gz KRBNBTCAABZPKX-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001714151697 1181265900 /nfs/dbraw/zinc/26/59/00/1181265900.db2.gz SBZNYPFFNDNDBG-CQSZACIVSA-N 2 1 322.453 0.259 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cncn1C ZINC001714244654 1181293288 /nfs/dbraw/zinc/29/32/88/1181293288.db2.gz UQYYZNZHBKDITE-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cncn1C ZINC001714244654 1181293293 /nfs/dbraw/zinc/29/32/93/1181293293.db2.gz UQYYZNZHBKDITE-ZFWWWQNUSA-N 2 1 303.410 0.112 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714304996 1181314906 /nfs/dbraw/zinc/31/49/06/1181314906.db2.gz JWYHVHAJMTVACU-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCOCC)C1 ZINC001714351802 1181332385 /nfs/dbraw/zinc/33/23/85/1181332385.db2.gz SMXJBOSVVRUSTK-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCOCC)C1 ZINC001714351802 1181332390 /nfs/dbraw/zinc/33/23/90/1181332390.db2.gz SMXJBOSVVRUSTK-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001714381042 1181342973 /nfs/dbraw/zinc/34/29/73/1181342973.db2.gz XEGILIXAXDOJAH-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCOC)C1 ZINC001714635718 1181453847 /nfs/dbraw/zinc/45/38/47/1181453847.db2.gz QGUBBESDCKLHCZ-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCOC)C1 ZINC001714635718 1181453849 /nfs/dbraw/zinc/45/38/49/1181453849.db2.gz QGUBBESDCKLHCZ-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCOC)C1 ZINC001714635718 1181453852 /nfs/dbraw/zinc/45/38/52/1181453852.db2.gz QGUBBESDCKLHCZ-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCOC)C1 ZINC001714635718 1181453855 /nfs/dbraw/zinc/45/38/55/1181453855.db2.gz QGUBBESDCKLHCZ-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccon2)CC1 ZINC001714880984 1181583229 /nfs/dbraw/zinc/58/32/29/1181583229.db2.gz NFLNMCWJADGKAG-CQSZACIVSA-N 2 1 318.421 0.956 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001715347507 1181781836 /nfs/dbraw/zinc/78/18/36/1181781836.db2.gz JCWAJMNFRBLSDQ-TZMCWYRMSA-N 2 1 321.425 0.319 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001715600893 1181887577 /nfs/dbraw/zinc/88/75/77/1181887577.db2.gz RYBRWBHHQIEFFW-HIFRSBDPSA-N 2 1 306.410 0.397 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001715608035 1181893331 /nfs/dbraw/zinc/89/33/31/1181893331.db2.gz LUOZDCSBMMAJCW-AWEZNQCLSA-N 2 1 301.350 0.134 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cncn1C ZINC001715738163 1181967698 /nfs/dbraw/zinc/96/76/98/1181967698.db2.gz CRZDOSWQXPRBPK-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCOC1 ZINC001715934650 1182109179 /nfs/dbraw/zinc/10/91/79/1182109179.db2.gz KTSDBZHAQPYTDY-OAGGEKHMSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCOC1 ZINC001715934650 1182109182 /nfs/dbraw/zinc/10/91/82/1182109182.db2.gz KTSDBZHAQPYTDY-OAGGEKHMSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CC[NH+](CC=C)CC1 ZINC001716811608 1182534123 /nfs/dbraw/zinc/53/41/23/1182534123.db2.gz GBMWTQIWICRWSN-QGZVFWFLSA-N 2 1 319.449 0.819 20 30 DCEDMP C#CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC[NH+](CC=C)CC1 ZINC001716811608 1182534126 /nfs/dbraw/zinc/53/41/26/1182534126.db2.gz GBMWTQIWICRWSN-QGZVFWFLSA-N 2 1 319.449 0.819 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001716874577 1182555905 /nfs/dbraw/zinc/55/59/05/1182555905.db2.gz MGJXRXMGSPDRPV-SJLPKXTDSA-N 2 1 321.465 0.806 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001716931339 1182586468 /nfs/dbraw/zinc/58/64/68/1182586468.db2.gz YBCMTUQLLPMVQJ-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001716931339 1182586470 /nfs/dbraw/zinc/58/64/70/1182586470.db2.gz YBCMTUQLLPMVQJ-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCOC)CC1 ZINC001717120391 1182682786 /nfs/dbraw/zinc/68/27/86/1182682786.db2.gz AQDFUMDXRFNXBY-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCOC)CC1 ZINC001717120391 1182682792 /nfs/dbraw/zinc/68/27/92/1182682792.db2.gz AQDFUMDXRFNXBY-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)C13CC[NH+](CC1)C3)CCO2 ZINC001717221053 1182736587 /nfs/dbraw/zinc/73/65/87/1182736587.db2.gz XEWSDKVFDHVEHM-UHFFFAOYSA-N 2 1 319.449 0.962 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001717323120 1182780929 /nfs/dbraw/zinc/78/09/29/1182780929.db2.gz PCAOXCVHQAYKSV-UHFFFAOYSA-N 2 1 323.481 0.931 20 30 DCEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001717460110 1182839684 /nfs/dbraw/zinc/83/96/84/1182839684.db2.gz ZYZKEZMPNSFODX-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001717460110 1182839685 /nfs/dbraw/zinc/83/96/85/1182839685.db2.gz ZYZKEZMPNSFODX-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)C[C@@H](C)OC)CC1 ZINC001717500063 1182867408 /nfs/dbraw/zinc/86/74/08/1182867408.db2.gz OPXXEQVJZVWJSF-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)C[C@@H](C)OC)CC1 ZINC001717500064 1182867712 /nfs/dbraw/zinc/86/77/12/1182867712.db2.gz OPXXEQVJZVWJSF-LSDHHAIUSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001717801527 1183007493 /nfs/dbraw/zinc/00/74/93/1183007493.db2.gz GNHHRZKPROACPX-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001722992181 1184242974 /nfs/dbraw/zinc/24/29/74/1184242974.db2.gz TUJHYGFUZFJNAU-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001723874546 1184358025 /nfs/dbraw/zinc/35/80/25/1184358025.db2.gz LTGZHZJFIVATLX-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001724184836 1184398662 /nfs/dbraw/zinc/39/86/62/1184398662.db2.gz WDAKXMQBDDVXQS-QGZVFWFLSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001724184836 1184398669 /nfs/dbraw/zinc/39/86/69/1184398669.db2.gz WDAKXMQBDDVXQS-QGZVFWFLSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCCCCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001724489407 1184455595 /nfs/dbraw/zinc/45/55/95/1184455595.db2.gz AOWMAXVNPYRLIT-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCCCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001724489407 1184455598 /nfs/dbraw/zinc/45/55/98/1184455598.db2.gz AOWMAXVNPYRLIT-HNNXBMFYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001725007090 1184654208 /nfs/dbraw/zinc/65/42/08/1184654208.db2.gz HIVHBHIEIOQLTK-BFHYXJOUSA-N 2 1 310.442 0.256 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001725061056 1184671253 /nfs/dbraw/zinc/67/12/53/1184671253.db2.gz VHWQQGIJWKJPPZ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001725061056 1184671256 /nfs/dbraw/zinc/67/12/56/1184671256.db2.gz VHWQQGIJWKJPPZ-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001731342038 1185280034 /nfs/dbraw/zinc/28/00/34/1185280034.db2.gz FBIOWYPICMWXPW-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001731342038 1185280040 /nfs/dbraw/zinc/28/00/40/1185280040.db2.gz FBIOWYPICMWXPW-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731342038 1185280045 /nfs/dbraw/zinc/28/00/45/1185280045.db2.gz FBIOWYPICMWXPW-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001731565927 1185392318 /nfs/dbraw/zinc/39/23/18/1185392318.db2.gz WIJPLXNYJGYUBC-JLOCXQCDSA-N 2 1 319.449 0.555 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001731721015 1185457181 /nfs/dbraw/zinc/45/71/81/1185457181.db2.gz VXODRMCKUYOFQF-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001731721015 1185457184 /nfs/dbraw/zinc/45/71/84/1185457184.db2.gz VXODRMCKUYOFQF-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001731721015 1185457188 /nfs/dbraw/zinc/45/71/88/1185457188.db2.gz VXODRMCKUYOFQF-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001731861287 1185537162 /nfs/dbraw/zinc/53/71/62/1185537162.db2.gz STDWSFWAAISOHT-OAHLLOKOSA-N 2 1 304.394 0.279 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001731861287 1185537164 /nfs/dbraw/zinc/53/71/64/1185537164.db2.gz STDWSFWAAISOHT-OAHLLOKOSA-N 2 1 304.394 0.279 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001731885039 1185546899 /nfs/dbraw/zinc/54/68/99/1185546899.db2.gz URDVQBSGOJHEEK-UHFFFAOYSA-N 2 1 305.422 0.313 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001731984265 1185625778 /nfs/dbraw/zinc/62/57/78/1185625778.db2.gz RWDCRAVWEZHJFA-OAHLLOKOSA-N 2 1 324.469 0.411 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001732064080 1185654329 /nfs/dbraw/zinc/65/43/29/1185654329.db2.gz GAKBTBYNEKYGFN-QGZVFWFLSA-N 2 1 322.497 0.980 20 30 DCEDMP C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001732659957 1185903498 /nfs/dbraw/zinc/90/34/98/1185903498.db2.gz XJTAZIHGDPPOAZ-GOEBONIOSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCOC1 ZINC001732859405 1186018511 /nfs/dbraw/zinc/01/85/11/1186018511.db2.gz JTZIHKVUCSOWDE-DSLCMKTCSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCOC1 ZINC001732859405 1186018516 /nfs/dbraw/zinc/01/85/16/1186018516.db2.gz JTZIHKVUCSOWDE-DSLCMKTCSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCOC1 ZINC001732858506 1186018784 /nfs/dbraw/zinc/01/87/84/1186018784.db2.gz DVPZVMUYNZXALU-QCDWVSHVSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCOC1 ZINC001732858506 1186018790 /nfs/dbraw/zinc/01/87/90/1186018790.db2.gz DVPZVMUYNZXALU-QCDWVSHVSA-N 2 1 319.449 0.773 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)COC)CC1 ZINC001733065858 1186125047 /nfs/dbraw/zinc/12/50/47/1186125047.db2.gz JWDSRPWQCUZCHF-GJZGRUSLSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001733280314 1186210254 /nfs/dbraw/zinc/21/02/54/1186210254.db2.gz GVQMVIFIWGTEQT-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001733280314 1186210259 /nfs/dbraw/zinc/21/02/59/1186210259.db2.gz GVQMVIFIWGTEQT-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+](CCOC)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001733280314 1186210266 /nfs/dbraw/zinc/21/02/66/1186210266.db2.gz GVQMVIFIWGTEQT-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001733343624 1186234085 /nfs/dbraw/zinc/23/40/85/1186234085.db2.gz QYZNSDNNVBJODR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733417526 1186266394 /nfs/dbraw/zinc/26/63/94/1186266394.db2.gz KJDGKYJPVYQCPL-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733417526 1186266400 /nfs/dbraw/zinc/26/64/00/1186266400.db2.gz KJDGKYJPVYQCPL-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001733501457 1186310159 /nfs/dbraw/zinc/31/01/59/1186310159.db2.gz GXAWIXAIBXBRBP-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001733501457 1186310164 /nfs/dbraw/zinc/31/01/64/1186310164.db2.gz GXAWIXAIBXBRBP-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001733502996 1186312290 /nfs/dbraw/zinc/31/22/90/1186312290.db2.gz ACFPJTHHMSWPIA-HNNXBMFYSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001733502996 1186312296 /nfs/dbraw/zinc/31/22/96/1186312296.db2.gz ACFPJTHHMSWPIA-HNNXBMFYSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001733579445 1186340084 /nfs/dbraw/zinc/34/00/84/1186340084.db2.gz MKCHFACZIUSLEK-GASCZTMLSA-N 2 1 322.453 0.019 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001733679141 1186398241 /nfs/dbraw/zinc/39/82/41/1186398241.db2.gz WSVPPCLBYFUUIP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001733679141 1186398248 /nfs/dbraw/zinc/39/82/48/1186398248.db2.gz WSVPPCLBYFUUIP-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001733829962 1186466091 /nfs/dbraw/zinc/46/60/91/1186466091.db2.gz FZOXZMYZPISVSG-HUUCEWRRSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001734595582 1186698350 /nfs/dbraw/zinc/69/83/50/1186698350.db2.gz JLKKMBMZDYOBOI-UHFFFAOYSA-N 2 1 304.394 0.952 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753083261 1188493134 /nfs/dbraw/zinc/49/31/34/1188493134.db2.gz XZIYLFTZYMURFH-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753083261 1188493135 /nfs/dbraw/zinc/49/31/35/1188493135.db2.gz XZIYLFTZYMURFH-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001753083261 1188493137 /nfs/dbraw/zinc/49/31/37/1188493137.db2.gz XZIYLFTZYMURFH-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753083261 1188493138 /nfs/dbraw/zinc/49/31/38/1188493138.db2.gz XZIYLFTZYMURFH-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001753696703 1188642738 /nfs/dbraw/zinc/64/27/38/1188642738.db2.gz ONWHQPYOYWQJHX-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001753696703 1188642740 /nfs/dbraw/zinc/64/27/40/1188642740.db2.gz ONWHQPYOYWQJHX-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001754024929 1188714560 /nfs/dbraw/zinc/71/45/60/1188714560.db2.gz ADZQUEYCAJOLIE-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754861411 1188953815 /nfs/dbraw/zinc/95/38/15/1188953815.db2.gz LQWLNDCPMNOWIC-QGZVFWFLSA-N 2 1 305.422 0.049 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754861411 1188953818 /nfs/dbraw/zinc/95/38/18/1188953818.db2.gz LQWLNDCPMNOWIC-QGZVFWFLSA-N 2 1 305.422 0.049 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001755019384 1188998103 /nfs/dbraw/zinc/99/81/03/1188998103.db2.gz KNVMRYKGXMQUIN-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001755019384 1188998104 /nfs/dbraw/zinc/99/81/04/1188998104.db2.gz KNVMRYKGXMQUIN-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001755154193 1189038670 /nfs/dbraw/zinc/03/86/70/1189038670.db2.gz GKODNVUBJDZNEP-HUUCEWRRSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001755536204 1189140255 /nfs/dbraw/zinc/14/02/55/1189140255.db2.gz KGPVGCDOWDJNRQ-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001755536204 1189140257 /nfs/dbraw/zinc/14/02/57/1189140257.db2.gz KGPVGCDOWDJNRQ-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001755536204 1189140260 /nfs/dbraw/zinc/14/02/60/1189140260.db2.gz KGPVGCDOWDJNRQ-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001755536204 1189140263 /nfs/dbraw/zinc/14/02/63/1189140263.db2.gz KGPVGCDOWDJNRQ-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755573081 1189150464 /nfs/dbraw/zinc/15/04/64/1189150464.db2.gz MGSWSZBXPBFWLU-HUUCEWRRSA-N 2 1 322.453 0.067 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001124837626 751721703 /nfs/dbraw/zinc/72/17/03/751721703.db2.gz OVZQPLPZHBUVFL-OAHLLOKOSA-N 2 1 304.369 0.997 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609075 752147849 /nfs/dbraw/zinc/14/78/49/752147849.db2.gz BHYBBUDLJXMARD-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561615 747345074 /nfs/dbraw/zinc/34/50/74/747345074.db2.gz IWSASRVBNXSQFC-UHFFFAOYSA-N 2 1 309.454 0.944 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105326833 748136731 /nfs/dbraw/zinc/13/67/31/748136731.db2.gz IJAMWMCLYOOPBL-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105326833 748136736 /nfs/dbraw/zinc/13/67/36/748136736.db2.gz IJAMWMCLYOOPBL-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)nn1 ZINC001098728581 749348743 /nfs/dbraw/zinc/34/87/43/749348743.db2.gz RVIWMBFXQWNWHA-CABCVRRESA-N 2 1 320.441 0.667 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212087 749526223 /nfs/dbraw/zinc/52/62/23/749526223.db2.gz LTNYGPJZBJJTJQ-VXGBXAGGSA-N 2 1 305.344 0.939 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645589 749790721 /nfs/dbraw/zinc/79/07/21/749790721.db2.gz QWKFOVVIHYFNCC-LSDHHAIUSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645589 749790724 /nfs/dbraw/zinc/79/07/24/749790724.db2.gz QWKFOVVIHYFNCC-LSDHHAIUSA-N 2 1 318.425 0.421 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077280549 750313189 /nfs/dbraw/zinc/31/31/89/750313189.db2.gz CRRMPRLOIKHQIW-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280549 750313193 /nfs/dbraw/zinc/31/31/93/750313193.db2.gz CRRMPRLOIKHQIW-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280549 750313201 /nfs/dbraw/zinc/31/32/01/750313201.db2.gz CRRMPRLOIKHQIW-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280549 750313207 /nfs/dbraw/zinc/31/32/07/750313207.db2.gz CRRMPRLOIKHQIW-BZUAXINKSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CC)[C@@H]2C)CC1 ZINC001089060142 750782154 /nfs/dbraw/zinc/78/21/54/750782154.db2.gz VNBQPZQSDRIFNO-WBVHZDCISA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001046850519 751298769 /nfs/dbraw/zinc/29/87/69/751298769.db2.gz VLNMXLUASQARKF-WMLDXEAASA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCN1C[C@@H](NC(=O)C[N@H+](C)CCC)CC2(CCOCC2)C1 ZINC001099596429 752604690 /nfs/dbraw/zinc/60/46/90/752604690.db2.gz CEILDGSKOYJXAH-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC2(CCOCC2)C1 ZINC001099596429 752604698 /nfs/dbraw/zinc/60/46/98/752604698.db2.gz CEILDGSKOYJXAH-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC2(CCOCC2)C1 ZINC001099596429 752604710 /nfs/dbraw/zinc/60/47/10/752604710.db2.gz CEILDGSKOYJXAH-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC2(CCOCC2)C1 ZINC001099596429 752604716 /nfs/dbraw/zinc/60/47/16/752604716.db2.gz CEILDGSKOYJXAH-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203460036 752662453 /nfs/dbraw/zinc/66/24/53/752662453.db2.gz LQJOVXMQCVDPPH-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078018050 752984593 /nfs/dbraw/zinc/98/45/93/752984593.db2.gz LCVBSAUTTXSAAO-GDBMZVCRSA-N 2 1 318.421 0.889 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018050 752984599 /nfs/dbraw/zinc/98/45/99/752984599.db2.gz LCVBSAUTTXSAAO-GDBMZVCRSA-N 2 1 318.421 0.889 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018050 752984605 /nfs/dbraw/zinc/98/46/05/752984605.db2.gz LCVBSAUTTXSAAO-GDBMZVCRSA-N 2 1 318.421 0.889 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078222980 753129993 /nfs/dbraw/zinc/12/99/93/753129993.db2.gz ZNHGIQUZPQVXPJ-HZPDHXFCSA-N 2 1 303.406 0.709 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078222980 753129996 /nfs/dbraw/zinc/12/99/96/753129996.db2.gz ZNHGIQUZPQVXPJ-HZPDHXFCSA-N 2 1 303.406 0.709 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045663975 753284905 /nfs/dbraw/zinc/28/49/05/753284905.db2.gz UDBBKXKBQMVJPH-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010072 753412400 /nfs/dbraw/zinc/41/24/00/753412400.db2.gz HSSUCKWYKUFPFH-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010072 753412403 /nfs/dbraw/zinc/41/24/03/753412403.db2.gz HSSUCKWYKUFPFH-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046010072 753412407 /nfs/dbraw/zinc/41/24/07/753412407.db2.gz HSSUCKWYKUFPFH-SJORKVTESA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046009939 753412463 /nfs/dbraw/zinc/41/24/63/753412463.db2.gz GITTWRZBGMZWHL-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046009939 753412465 /nfs/dbraw/zinc/41/24/65/753412465.db2.gz GITTWRZBGMZWHL-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046009939 753412467 /nfs/dbraw/zinc/41/24/67/753412467.db2.gz GITTWRZBGMZWHL-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501019 753752808 /nfs/dbraw/zinc/75/28/08/753752808.db2.gz HHIGPMKAGDIDQR-FYRJDAGRSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501019 753752812 /nfs/dbraw/zinc/75/28/12/753752812.db2.gz HHIGPMKAGDIDQR-FYRJDAGRSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501019 753752816 /nfs/dbraw/zinc/75/28/16/753752816.db2.gz HHIGPMKAGDIDQR-FYRJDAGRSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC#CC)C2)CC1 ZINC001046850360 753979591 /nfs/dbraw/zinc/97/95/91/753979591.db2.gz UAHJXMVARZEOSC-GOSISDBHSA-N 2 1 301.434 0.936 20 30 DCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407141 754254016 /nfs/dbraw/zinc/25/40/16/754254016.db2.gz CZSZSWJEXMEGNB-IKGGRYGDSA-N 2 1 321.465 0.491 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407141 754254017 /nfs/dbraw/zinc/25/40/17/754254017.db2.gz CZSZSWJEXMEGNB-IKGGRYGDSA-N 2 1 321.465 0.491 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407141 754254018 /nfs/dbraw/zinc/25/40/18/754254018.db2.gz CZSZSWJEXMEGNB-IKGGRYGDSA-N 2 1 321.465 0.491 20 30 DCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001047407141 754254019 /nfs/dbraw/zinc/25/40/19/754254019.db2.gz CZSZSWJEXMEGNB-IKGGRYGDSA-N 2 1 321.465 0.491 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001045643158 754506315 /nfs/dbraw/zinc/50/63/15/754506315.db2.gz BRJSWTMRFWDTSM-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045643158 754506317 /nfs/dbraw/zinc/50/63/17/754506317.db2.gz BRJSWTMRFWDTSM-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182348 754946305 /nfs/dbraw/zinc/94/63/05/754946305.db2.gz GIVHRHPISHIFCQ-INIZCTEOSA-N 2 1 313.442 0.348 20 30 DCEDMP C=CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182348 754946307 /nfs/dbraw/zinc/94/63/07/754946307.db2.gz GIVHRHPISHIFCQ-INIZCTEOSA-N 2 1 313.442 0.348 20 30 DCEDMP C=CCCn1cc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)nn1 ZINC000903494331 755233814 /nfs/dbraw/zinc/23/38/14/755233814.db2.gz CEQILCYWDNUIOU-ZENOOKHLSA-N 2 1 319.409 0.567 20 30 DCEDMP C=CCCn1cc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)nn1 ZINC000903494331 755233817 /nfs/dbraw/zinc/23/38/17/755233817.db2.gz CEQILCYWDNUIOU-ZENOOKHLSA-N 2 1 319.409 0.567 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049902695 755440402 /nfs/dbraw/zinc/44/04/02/755440402.db2.gz CBKODZOJECDABR-ARFHVFGLSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049902695 755440403 /nfs/dbraw/zinc/44/04/03/755440403.db2.gz CBKODZOJECDABR-ARFHVFGLSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902695 755440405 /nfs/dbraw/zinc/44/04/05/755440405.db2.gz CBKODZOJECDABR-ARFHVFGLSA-N 2 1 305.422 0.406 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902695 755440406 /nfs/dbraw/zinc/44/04/06/755440406.db2.gz CBKODZOJECDABR-ARFHVFGLSA-N 2 1 305.422 0.406 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160842 756117685 /nfs/dbraw/zinc/11/76/85/756117685.db2.gz AEYMUPJIXCKKCA-HCBPCCMXSA-N 2 1 319.449 0.862 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080160842 756117690 /nfs/dbraw/zinc/11/76/90/756117690.db2.gz AEYMUPJIXCKKCA-HCBPCCMXSA-N 2 1 319.449 0.862 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080160842 756117692 /nfs/dbraw/zinc/11/76/92/756117692.db2.gz AEYMUPJIXCKKCA-HCBPCCMXSA-N 2 1 319.449 0.862 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054109518 756369931 /nfs/dbraw/zinc/36/99/31/756369931.db2.gz OAHRBWPKJQKVEF-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054109518 756369936 /nfs/dbraw/zinc/36/99/36/756369936.db2.gz OAHRBWPKJQKVEF-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001054109518 756369939 /nfs/dbraw/zinc/36/99/39/756369939.db2.gz OAHRBWPKJQKVEF-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001054109518 756369943 /nfs/dbraw/zinc/36/99/43/756369943.db2.gz OAHRBWPKJQKVEF-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP CN(C)/C=[NH+]/c1ccc(N(C)S(=O)(=O)CC[NH3+])cc1C#N ZINC001164297526 756719625 /nfs/dbraw/zinc/71/96/25/756719625.db2.gz WXBQBVZITSYFFJ-MHWRWJLKSA-N 2 1 309.395 0.504 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393953 757390997 /nfs/dbraw/zinc/39/09/97/757390997.db2.gz RXUOVUFXLIQTNU-CABCVRRESA-N 2 1 305.422 0.190 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472517 757743342 /nfs/dbraw/zinc/74/33/42/757743342.db2.gz VJDCNVPHTLYELT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472517 757743348 /nfs/dbraw/zinc/74/33/48/757743348.db2.gz VJDCNVPHTLYELT-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447679 757840663 /nfs/dbraw/zinc/84/06/63/757840663.db2.gz ZGSRBTSKFQRWKF-KLHDSHLOSA-N 2 1 307.438 0.814 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447679 757840673 /nfs/dbraw/zinc/84/06/73/757840673.db2.gz ZGSRBTSKFQRWKF-KLHDSHLOSA-N 2 1 307.438 0.814 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447679 757840686 /nfs/dbraw/zinc/84/06/86/757840686.db2.gz ZGSRBTSKFQRWKF-KLHDSHLOSA-N 2 1 307.438 0.814 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447679 757840698 /nfs/dbraw/zinc/84/06/98/757840698.db2.gz ZGSRBTSKFQRWKF-KLHDSHLOSA-N 2 1 307.438 0.814 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCO)C[C@H]32)CC1 ZINC001084850200 758085978 /nfs/dbraw/zinc/08/59/78/758085978.db2.gz OVMSRRCTURIGQD-IAGOWNOFSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOC)[C@H]2C1 ZINC001084961127 758141235 /nfs/dbraw/zinc/14/12/35/758141235.db2.gz MPMUAJASPHTDJB-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOC)[C@H]2C1 ZINC001084961127 758141241 /nfs/dbraw/zinc/14/12/41/758141241.db2.gz MPMUAJASPHTDJB-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOC)[C@H]2C1 ZINC001084961127 758141246 /nfs/dbraw/zinc/14/12/46/758141246.db2.gz MPMUAJASPHTDJB-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOC)[C@H]2C1 ZINC001084961127 758141248 /nfs/dbraw/zinc/14/12/48/758141248.db2.gz MPMUAJASPHTDJB-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085096773 758208437 /nfs/dbraw/zinc/20/84/37/758208437.db2.gz RQMBSQJIHVBIKB-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085096773 758208447 /nfs/dbraw/zinc/20/84/47/758208447.db2.gz RQMBSQJIHVBIKB-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096773 758208458 /nfs/dbraw/zinc/20/84/58/758208458.db2.gz RQMBSQJIHVBIKB-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096773 758208469 /nfs/dbraw/zinc/20/84/69/758208469.db2.gz RQMBSQJIHVBIKB-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368717 762656267 /nfs/dbraw/zinc/65/62/67/762656267.db2.gz XVSLWHIVIHFZRK-KRWDZBQOSA-N 2 1 321.465 0.800 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108260312 759979361 /nfs/dbraw/zinc/97/93/61/759979361.db2.gz KZOBGDOAYOVISU-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108260312 759979368 /nfs/dbraw/zinc/97/93/68/759979368.db2.gz KZOBGDOAYOVISU-SFHVURJKSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001098445196 760268855 /nfs/dbraw/zinc/26/88/55/760268855.db2.gz OACCCBZUNYLCBU-UHFFFAOYSA-N 2 1 318.421 0.582 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)COC[C@H](C)[NH+]3CCCC3)C2)C1 ZINC001148305415 767955422 /nfs/dbraw/zinc/95/54/22/767955422.db2.gz ZRIWRCBCNYUMPQ-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809705 760869174 /nfs/dbraw/zinc/86/91/74/760869174.db2.gz JHHDUBHYJOWJTP-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809603 760870217 /nfs/dbraw/zinc/87/02/17/760870217.db2.gz JHHDUBHYJOWJTP-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)C[N@@H+](C)CCC)CC2=O)C1 ZINC001108587913 760932500 /nfs/dbraw/zinc/93/25/00/760932500.db2.gz YIJSVFXBGPPPNE-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)C[N@H+](C)CCC)CC2=O)C1 ZINC001108587913 760932502 /nfs/dbraw/zinc/93/25/02/760932502.db2.gz YIJSVFXBGPPPNE-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148604223 768018419 /nfs/dbraw/zinc/01/84/19/768018419.db2.gz ACTRPPYYCLSRCU-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148604223 768018422 /nfs/dbraw/zinc/01/84/22/768018422.db2.gz ACTRPPYYCLSRCU-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148604223 768018424 /nfs/dbraw/zinc/01/84/24/768018424.db2.gz ACTRPPYYCLSRCU-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070629915 761362335 /nfs/dbraw/zinc/36/23/35/761362335.db2.gz WSCCJSVFAPGQIZ-RBSFLKMASA-N 2 1 315.421 0.032 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCCN[C@H](C)c1cnccn1 ZINC001129770268 763007263 /nfs/dbraw/zinc/00/72/63/763007263.db2.gz DGLXTUWSPXJRDJ-HIFRSBDPSA-N 2 1 301.394 0.341 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001129771502 763008917 /nfs/dbraw/zinc/00/89/17/763008917.db2.gz ZLUORKOKBBLXTH-DLBZAZTESA-N 2 1 315.417 0.523 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001129771502 763008926 /nfs/dbraw/zinc/00/89/26/763008926.db2.gz ZLUORKOKBBLXTH-DLBZAZTESA-N 2 1 315.417 0.523 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034682 763239397 /nfs/dbraw/zinc/23/93/97/763239397.db2.gz TZHYIJOPSKHASM-CVEARBPZSA-N 2 1 318.421 0.546 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034682 763239406 /nfs/dbraw/zinc/23/94/06/763239406.db2.gz TZHYIJOPSKHASM-CVEARBPZSA-N 2 1 318.421 0.546 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100064588 763273215 /nfs/dbraw/zinc/27/32/15/763273215.db2.gz OLVVLXJPYHLATL-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064588 763273223 /nfs/dbraw/zinc/27/32/23/763273223.db2.gz OLVVLXJPYHLATL-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064588 763273232 /nfs/dbraw/zinc/27/32/32/763273232.db2.gz OLVVLXJPYHLATL-LSDHHAIUSA-N 2 1 313.442 0.082 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130417934 763303667 /nfs/dbraw/zinc/30/36/67/763303667.db2.gz LTFXORXCTGAELG-AWEZNQCLSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100115674 763327855 /nfs/dbraw/zinc/32/78/55/763327855.db2.gz BHURPBIZSDIERS-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCOCC)C1 ZINC001100415185 763564544 /nfs/dbraw/zinc/56/45/44/763564544.db2.gz CMFPJGHJEJMGAO-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCOCC)C1 ZINC001100415185 763564549 /nfs/dbraw/zinc/56/45/49/763564549.db2.gz CMFPJGHJEJMGAO-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001100674050 763715868 /nfs/dbraw/zinc/71/58/68/763715868.db2.gz KRYRSAJWKBAXOQ-NFOMZHRRSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101414 768192530 /nfs/dbraw/zinc/19/25/30/768192530.db2.gz CFSNRIGPIYCWHO-WBVHZDCISA-N 2 1 305.422 0.122 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101414 768192533 /nfs/dbraw/zinc/19/25/33/768192533.db2.gz CFSNRIGPIYCWHO-WBVHZDCISA-N 2 1 305.422 0.122 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102085777 764519958 /nfs/dbraw/zinc/51/99/58/764519958.db2.gz APFQZURIKFIFIE-RBSFLKMASA-N 2 1 324.469 0.313 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132743111 764619616 /nfs/dbraw/zinc/61/96/16/764619616.db2.gz UVTBAVRIJHPHGO-GJZGRUSLSA-N 2 1 324.469 0.505 20 30 DCEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133865696 765191163 /nfs/dbraw/zinc/19/11/63/765191163.db2.gz FDKPBBNLFPDNKI-CZUORRHYSA-N 2 1 300.406 0.962 20 30 DCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133873309 765204330 /nfs/dbraw/zinc/20/43/30/765204330.db2.gz UPSKLJAOJWFSKO-AWEZNQCLSA-N 2 1 306.410 0.662 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133895978 765213368 /nfs/dbraw/zinc/21/33/68/765213368.db2.gz AEIUUWFAFVNTEH-ZDUSSCGKSA-N 2 1 310.442 0.115 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)C1=O ZINC001133906015 765218652 /nfs/dbraw/zinc/21/86/52/765218652.db2.gz NBLGAONAPLUZAH-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090609226 766369988 /nfs/dbraw/zinc/36/99/88/766369988.db2.gz KMLRIMFPZUBZTP-JKSUJKDBSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090610885 766372819 /nfs/dbraw/zinc/37/28/19/766372819.db2.gz WOTMRKWKGNBOPJ-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001119392001 766658975 /nfs/dbraw/zinc/65/89/75/766658975.db2.gz SKKLSZQFDNUPHX-HZPDHXFCSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001119392001 766658978 /nfs/dbraw/zinc/65/89/78/766658978.db2.gz SKKLSZQFDNUPHX-HZPDHXFCSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001119392001 766658981 /nfs/dbraw/zinc/65/89/81/766658981.db2.gz SKKLSZQFDNUPHX-HZPDHXFCSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001119392001 766658983 /nfs/dbraw/zinc/65/89/83/766658983.db2.gz SKKLSZQFDNUPHX-HZPDHXFCSA-N 2 1 304.438 0.964 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001090969685 766784863 /nfs/dbraw/zinc/78/48/63/766784863.db2.gz APPOXDJKUZYMKZ-WXRRBKDZSA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001090969685 766784870 /nfs/dbraw/zinc/78/48/70/766784870.db2.gz APPOXDJKUZYMKZ-WXRRBKDZSA-N 2 1 301.818 0.554 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120879536 767288599 /nfs/dbraw/zinc/28/85/99/767288599.db2.gz VUJKJUQFYNZNAU-LETWWHAPSA-N 2 1 305.422 0.357 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120879536 767288602 /nfs/dbraw/zinc/28/86/02/767288602.db2.gz VUJKJUQFYNZNAU-LETWWHAPSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092909711 768414064 /nfs/dbraw/zinc/41/40/64/768414064.db2.gz ZUPLNXTYYXFDTD-BZUAXINKSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCO)C[C@H]2C)CC1 ZINC001093223602 768501197 /nfs/dbraw/zinc/50/11/97/768501197.db2.gz CKFCNSWWAJZIGZ-NVXWUHKLSA-N 2 1 321.465 0.398 20 30 DCEDMP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001093391358 768555429 /nfs/dbraw/zinc/55/54/29/768555429.db2.gz RRMBNKKPEYQKBZ-UPTPFMHGSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501004 769310809 /nfs/dbraw/zinc/31/08/09/769310809.db2.gz PIJFVDYFALWEQP-ARFHVFGLSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501004 769310824 /nfs/dbraw/zinc/31/08/24/769310824.db2.gz PIJFVDYFALWEQP-ARFHVFGLSA-N 2 1 309.454 0.993 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CC[N@H+](C)CCC)C1=O ZINC001171726251 769359387 /nfs/dbraw/zinc/35/93/87/769359387.db2.gz YWFRXDJXSBWIOD-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nccs2)CC1 ZINC001152334558 769529621 /nfs/dbraw/zinc/52/96/21/769529621.db2.gz HLGJWGCKTVBLBN-UHFFFAOYSA-N 2 1 306.435 0.694 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176071219 770009993 /nfs/dbraw/zinc/00/99/93/770009993.db2.gz CWZVHJNXRQLMEN-OAHLLOKOSA-N 2 1 324.469 0.459 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033723 770050707 /nfs/dbraw/zinc/05/07/07/770050707.db2.gz KSZVKMUQGQLUCG-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033723 770050722 /nfs/dbraw/zinc/05/07/22/770050722.db2.gz KSZVKMUQGQLUCG-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033723 770050734 /nfs/dbraw/zinc/05/07/34/770050734.db2.gz KSZVKMUQGQLUCG-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033723 770050748 /nfs/dbraw/zinc/05/07/48/770050748.db2.gz KSZVKMUQGQLUCG-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150588673 770097799 /nfs/dbraw/zinc/09/77/99/770097799.db2.gz QUFAGRDQECZOFA-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588673 770097811 /nfs/dbraw/zinc/09/78/11/770097811.db2.gz QUFAGRDQECZOFA-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588673 770097824 /nfs/dbraw/zinc/09/78/24/770097824.db2.gz QUFAGRDQECZOFA-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154385397 770165573 /nfs/dbraw/zinc/16/55/73/770165573.db2.gz IAMWEGNHZABGNJ-JBCIKUTRSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001154385397 770165575 /nfs/dbraw/zinc/16/55/75/770165575.db2.gz IAMWEGNHZABGNJ-JBCIKUTRSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001154385397 770165577 /nfs/dbraw/zinc/16/55/77/770165577.db2.gz IAMWEGNHZABGNJ-JBCIKUTRSA-N 2 1 319.449 0.700 20 30 DCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226697 770440028 /nfs/dbraw/zinc/44/00/28/770440028.db2.gz NMKGWIAQUYQLEM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226697 770440035 /nfs/dbraw/zinc/44/00/35/770440035.db2.gz NMKGWIAQUYQLEM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226697 770440043 /nfs/dbraw/zinc/44/00/43/770440043.db2.gz NMKGWIAQUYQLEM-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001151020657 771255753 /nfs/dbraw/zinc/25/57/53/771255753.db2.gz DDURSWYXVKCDEQ-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCOC)C1 ZINC001181764083 771344249 /nfs/dbraw/zinc/34/42/49/771344249.db2.gz KSMXNWSCBVJKFK-SOLBZPMBSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCOC)C1 ZINC001181764083 771344255 /nfs/dbraw/zinc/34/42/55/771344255.db2.gz KSMXNWSCBVJKFK-SOLBZPMBSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184309886 771770752 /nfs/dbraw/zinc/77/07/52/771770752.db2.gz MHROFJGZBKMZSS-UONOGXRCSA-N 2 1 319.409 0.073 20 30 DCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159877247 771971610 /nfs/dbraw/zinc/97/16/10/771971610.db2.gz ORIIFQMBSLKTAH-OAHLLOKOSA-N 2 1 307.442 0.875 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001185998917 771990123 /nfs/dbraw/zinc/99/01/23/771990123.db2.gz CLJOBZDANZMSMN-HNNXBMFYSA-N 2 1 320.441 0.669 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCCCO1 ZINC001160209152 772008962 /nfs/dbraw/zinc/00/89/62/772008962.db2.gz AMRRKFKKMLKODN-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCCCO1 ZINC001160209152 772008966 /nfs/dbraw/zinc/00/89/66/772008966.db2.gz AMRRKFKKMLKODN-CVEARBPZSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](OCC)C1CC1 ZINC001160209870 772010008 /nfs/dbraw/zinc/01/00/08/772010008.db2.gz ZQPUBGOGGVLKMJ-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](OCC)C1CC1 ZINC001160209870 772010015 /nfs/dbraw/zinc/01/00/15/772010015.db2.gz ZQPUBGOGGVLKMJ-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](OCC)C1CC1 ZINC001160209871 772010236 /nfs/dbraw/zinc/01/02/36/772010236.db2.gz ZQPUBGOGGVLKMJ-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](OCC)C1CC1 ZINC001160209871 772010243 /nfs/dbraw/zinc/01/02/43/772010243.db2.gz ZQPUBGOGGVLKMJ-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnc(C)o1 ZINC001160209822 772010356 /nfs/dbraw/zinc/01/03/56/772010356.db2.gz XQLFASBRLBZMFJ-HNNXBMFYSA-N 2 1 304.394 0.677 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnc(C)o1 ZINC001160209822 772010361 /nfs/dbraw/zinc/01/03/61/772010361.db2.gz XQLFASBRLBZMFJ-HNNXBMFYSA-N 2 1 304.394 0.677 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](C[C@H](C)O)CC1 ZINC001160386205 772030923 /nfs/dbraw/zinc/03/09/23/772030923.db2.gz MKLWMOGZELBYQR-RDJZCZTQSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](C[C@H](C)O)CC1 ZINC001160386205 772030928 /nfs/dbraw/zinc/03/09/28/772030928.db2.gz MKLWMOGZELBYQR-RDJZCZTQSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@H](C)O)CC1 ZINC001160386205 772030936 /nfs/dbraw/zinc/03/09/36/772030936.db2.gz MKLWMOGZELBYQR-RDJZCZTQSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@H](C)O)CC1 ZINC001160386205 772030942 /nfs/dbraw/zinc/03/09/42/772030942.db2.gz MKLWMOGZELBYQR-RDJZCZTQSA-N 2 1 319.449 0.603 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161051804 772159224 /nfs/dbraw/zinc/15/92/24/772159224.db2.gz BUXWAJLSOZMFMK-ZIAGYGMSSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001162605767 772397572 /nfs/dbraw/zinc/39/75/72/772397572.db2.gz HTWQJJSEGRPPEN-AWEZNQCLSA-N 2 1 319.409 0.074 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190654616 772658358 /nfs/dbraw/zinc/65/83/58/772658358.db2.gz KKJGHPVSASNEIE-HOCLYGCPSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190654616 772658363 /nfs/dbraw/zinc/65/83/63/772658363.db2.gz KKJGHPVSASNEIE-HOCLYGCPSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190775730 772677280 /nfs/dbraw/zinc/67/72/80/772677280.db2.gz IUMJFXBWMCJUEE-HOCLYGCPSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190775730 772677283 /nfs/dbraw/zinc/67/72/83/772677283.db2.gz IUMJFXBWMCJUEE-HOCLYGCPSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191999033 772851330 /nfs/dbraw/zinc/85/13/30/772851330.db2.gz RKPZFJQHGOSOFF-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191999033 772851332 /nfs/dbraw/zinc/85/13/32/772851332.db2.gz RKPZFJQHGOSOFF-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203932421 772930176 /nfs/dbraw/zinc/93/01/76/772930176.db2.gz DTIFKNQLVQVNIG-CQSZACIVSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193281003 773037628 /nfs/dbraw/zinc/03/76/28/773037628.db2.gz ZCGHLXVHMBOJHM-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193281003 773037631 /nfs/dbraw/zinc/03/76/31/773037631.db2.gz ZCGHLXVHMBOJHM-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193281003 773037634 /nfs/dbraw/zinc/03/76/34/773037634.db2.gz ZCGHLXVHMBOJHM-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487779 773069794 /nfs/dbraw/zinc/06/97/94/773069794.db2.gz FJJMVQFLSGYPJE-OAHLLOKOSA-N 2 1 313.442 0.300 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193641975 773093414 /nfs/dbraw/zinc/09/34/14/773093414.db2.gz JZAGVIUHQWXJOB-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193641975 773093417 /nfs/dbraw/zinc/09/34/17/773093417.db2.gz JZAGVIUHQWXJOB-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193641975 773093419 /nfs/dbraw/zinc/09/34/19/773093419.db2.gz JZAGVIUHQWXJOB-GJZGRUSLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193755193 773112247 /nfs/dbraw/zinc/11/22/47/773112247.db2.gz HNYWIDXSXKNLKO-RBSFLKMASA-N 2 1 318.421 0.888 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193755193 773112250 /nfs/dbraw/zinc/11/22/50/773112250.db2.gz HNYWIDXSXKNLKO-RBSFLKMASA-N 2 1 318.421 0.888 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485518 773475069 /nfs/dbraw/zinc/47/50/69/773475069.db2.gz NDOQYVSPDQZGCP-GDBMZVCRSA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119304 774042741 /nfs/dbraw/zinc/04/27/41/774042741.db2.gz AQYKQAFEWLZQIV-ZACQAIPSSA-N 2 1 315.417 0.474 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CCCO1 ZINC001200687646 774389606 /nfs/dbraw/zinc/38/96/06/774389606.db2.gz DVWYJWSPQQRRSY-GJZGRUSLSA-N 2 1 316.405 0.601 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721135 774397958 /nfs/dbraw/zinc/39/79/58/774397958.db2.gz HVTGQUOIZNOTGT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCCO1 ZINC001201402313 774501764 /nfs/dbraw/zinc/50/17/64/774501764.db2.gz CHFAIFYBUGYSJP-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001201702127 774541979 /nfs/dbraw/zinc/54/19/79/774541979.db2.gz WIPFSHODAXNWFR-BFHRDPOASA-N 2 1 317.433 0.454 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114488465 774898281 /nfs/dbraw/zinc/89/82/81/774898281.db2.gz NUIDWUBUVHZNAQ-NHAGDIPZSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114488465 774898287 /nfs/dbraw/zinc/89/82/87/774898287.db2.gz NUIDWUBUVHZNAQ-NHAGDIPZSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488465 774898293 /nfs/dbraw/zinc/89/82/93/774898293.db2.gz NUIDWUBUVHZNAQ-NHAGDIPZSA-N 2 1 322.453 0.065 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488465 774898297 /nfs/dbraw/zinc/89/82/97/774898297.db2.gz NUIDWUBUVHZNAQ-NHAGDIPZSA-N 2 1 322.453 0.065 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC=C)C[C@@H]2O)CC1 ZINC001221066239 774988960 /nfs/dbraw/zinc/98/89/60/774988960.db2.gz MOZGLNNRJQWIEY-SJORKVTESA-N 2 1 319.449 0.459 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789024 775195134 /nfs/dbraw/zinc/19/51/34/775195134.db2.gz CAHCBAMLTNQREC-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789024 775195140 /nfs/dbraw/zinc/19/51/40/775195140.db2.gz CAHCBAMLTNQREC-RBSFLKMASA-N 2 1 322.453 0.162 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823115 775206659 /nfs/dbraw/zinc/20/66/59/775206659.db2.gz GVXZWHFGDIELFC-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823115 775206668 /nfs/dbraw/zinc/20/66/68/775206668.db2.gz GVXZWHFGDIELFC-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP N#Cc1ccn2ncc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)c2c1 ZINC001222514980 775373953 /nfs/dbraw/zinc/37/39/53/775373953.db2.gz GUSJWZNLIJCZLO-HOTGVXAUSA-N 2 1 310.405 0.732 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001223449186 775492570 /nfs/dbraw/zinc/49/25/70/775492570.db2.gz GDTCQGIAZAQRAE-INIZCTEOSA-N 2 1 317.437 0.275 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001111169071 775553482 /nfs/dbraw/zinc/55/34/82/775553482.db2.gz AWEDKLYDBWTLDM-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001111169071 775553489 /nfs/dbraw/zinc/55/34/89/775553489.db2.gz AWEDKLYDBWTLDM-OAGGEKHMSA-N 2 1 307.438 0.700 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562145 775928151 /nfs/dbraw/zinc/92/81/51/775928151.db2.gz AGUXIAJLZANKAK-FVQHAEBGSA-N 2 1 324.384 0.644 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227797559 776007300 /nfs/dbraw/zinc/00/73/00/776007300.db2.gz JRWJKLGJUBUKAV-INIZCTEOSA-N 2 1 319.453 0.970 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001227832678 776015401 /nfs/dbraw/zinc/01/54/01/776015401.db2.gz LQRLZHBMQRADQY-UHFFFAOYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215526 776265041 /nfs/dbraw/zinc/26/50/41/776265041.db2.gz QYMQFLLHCQSWGI-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215526 776265048 /nfs/dbraw/zinc/26/50/48/776265048.db2.gz QYMQFLLHCQSWGI-OAGGEKHMSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230374124 776289107 /nfs/dbraw/zinc/28/91/07/776289107.db2.gz JWHLCRJBTRFTJY-CQSZACIVSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230374124 776289111 /nfs/dbraw/zinc/28/91/11/776289111.db2.gz JWHLCRJBTRFTJY-CQSZACIVSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288700 777181248 /nfs/dbraw/zinc/18/12/48/777181248.db2.gz ZPHUWAHGBJPLFM-SJLPKXTDSA-N 2 1 301.434 0.886 20 30 DCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001041598595 777378833 /nfs/dbraw/zinc/37/88/33/777378833.db2.gz MPWLKXLSIVWCSL-WMZOPIPTSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001041598595 777378839 /nfs/dbraw/zinc/37/88/39/777378839.db2.gz MPWLKXLSIVWCSL-WMZOPIPTSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041598595 777378842 /nfs/dbraw/zinc/37/88/42/777378842.db2.gz MPWLKXLSIVWCSL-WMZOPIPTSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041598595 777378847 /nfs/dbraw/zinc/37/88/47/777378847.db2.gz MPWLKXLSIVWCSL-WMZOPIPTSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCOC)CC1 ZINC001278200661 945178188 /nfs/dbraw/zinc/17/81/88/945178188.db2.gz PYFZTKQYVJPROI-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP N#CCCCN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030890 945208767 /nfs/dbraw/zinc/20/87/67/945208767.db2.gz QQPPWTGUWJVUNG-KRWDZBQOSA-N 2 1 320.437 0.593 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCn1cccn1 ZINC001266393969 939104026 /nfs/dbraw/zinc/10/40/26/939104026.db2.gz FOXJZRIIKCJMDL-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCn1cccn1 ZINC001266393969 939104029 /nfs/dbraw/zinc/10/40/29/939104029.db2.gz FOXJZRIIKCJMDL-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCn1cccn1 ZINC001266393969 939104030 /nfs/dbraw/zinc/10/40/30/939104030.db2.gz FOXJZRIIKCJMDL-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCn1cccn1 ZINC001266393969 939104031 /nfs/dbraw/zinc/10/40/31/939104031.db2.gz FOXJZRIIKCJMDL-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCCO)C1 ZINC001266458997 939124188 /nfs/dbraw/zinc/12/41/88/939124188.db2.gz HUDCJSMOAJZSNW-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCCO)C1 ZINC001266458997 939124191 /nfs/dbraw/zinc/12/41/91/939124191.db2.gz HUDCJSMOAJZSNW-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCCO)C1 ZINC001266458997 939124193 /nfs/dbraw/zinc/12/41/93/939124193.db2.gz HUDCJSMOAJZSNW-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCCO)C1 ZINC001266458997 939124195 /nfs/dbraw/zinc/12/41/95/939124195.db2.gz HUDCJSMOAJZSNW-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCCO)C1 ZINC001266458997 939124197 /nfs/dbraw/zinc/12/41/97/939124197.db2.gz HUDCJSMOAJZSNW-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001278349284 945232806 /nfs/dbraw/zinc/23/28/06/945232806.db2.gz DZBAQDREJLOOFR-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001267199634 939383713 /nfs/dbraw/zinc/38/37/13/939383713.db2.gz RVMPBISXOKAEIU-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001267199634 939383717 /nfs/dbraw/zinc/38/37/17/939383717.db2.gz RVMPBISXOKAEIU-CQSZACIVSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267225987 939394884 /nfs/dbraw/zinc/39/48/84/939394884.db2.gz JPLPBLSYQOTLFI-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267225987 939394889 /nfs/dbraw/zinc/39/48/89/939394889.db2.gz JPLPBLSYQOTLFI-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267225987 939394894 /nfs/dbraw/zinc/39/48/94/939394894.db2.gz JPLPBLSYQOTLFI-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267225987 939394899 /nfs/dbraw/zinc/39/48/99/939394899.db2.gz JPLPBLSYQOTLFI-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001481185048 939599790 /nfs/dbraw/zinc/59/97/90/939599790.db2.gz SXPDZRXZPNRJHX-MRXNPFEDSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267685017 939625123 /nfs/dbraw/zinc/62/51/23/939625123.db2.gz WWOLQZOOCKPIRD-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267685017 939625124 /nfs/dbraw/zinc/62/51/24/939625124.db2.gz WWOLQZOOCKPIRD-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267685017 939625125 /nfs/dbraw/zinc/62/51/25/939625125.db2.gz WWOLQZOOCKPIRD-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267808992 939686520 /nfs/dbraw/zinc/68/65/20/939686520.db2.gz CLTQNYJSXWCTRR-KGLIPLIRSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001482189684 940325615 /nfs/dbraw/zinc/32/56/15/940325615.db2.gz GUNLVAFIVAARQV-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001482189684 940325619 /nfs/dbraw/zinc/32/56/19/940325619.db2.gz GUNLVAFIVAARQV-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001482189684 940325623 /nfs/dbraw/zinc/32/56/23/940325623.db2.gz GUNLVAFIVAARQV-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001482189684 940325626 /nfs/dbraw/zinc/32/56/26/940325626.db2.gz GUNLVAFIVAARQV-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001269186635 940642482 /nfs/dbraw/zinc/64/24/82/940642482.db2.gz COKLQCHIZCDWJN-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001269186635 940642484 /nfs/dbraw/zinc/64/24/84/940642484.db2.gz COKLQCHIZCDWJN-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC#CCOC ZINC001269417397 940703271 /nfs/dbraw/zinc/70/32/71/940703271.db2.gz HFIQEOCFLVVDDY-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001270187553 940852030 /nfs/dbraw/zinc/85/20/30/940852030.db2.gz JDNNTWZCDXGRRE-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001270665339 940959764 /nfs/dbraw/zinc/95/97/64/940959764.db2.gz OQQXAHFNSIFXSJ-PBHICJAKSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001270665339 940959770 /nfs/dbraw/zinc/95/97/70/940959770.db2.gz OQQXAHFNSIFXSJ-PBHICJAKSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001270665339 940959772 /nfs/dbraw/zinc/95/97/72/940959772.db2.gz OQQXAHFNSIFXSJ-PBHICJAKSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001270665339 940959774 /nfs/dbraw/zinc/95/97/74/940959774.db2.gz OQQXAHFNSIFXSJ-PBHICJAKSA-N 2 1 324.469 0.598 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC#CCOC ZINC001505452658 941481695 /nfs/dbraw/zinc/48/16/95/941481695.db2.gz LJWJDDMFQQGDJF-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC#CCOC ZINC001505452658 941481696 /nfs/dbraw/zinc/48/16/96/941481696.db2.gz LJWJDDMFQQGDJF-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC#CCOC ZINC001505452658 941481698 /nfs/dbraw/zinc/48/16/98/941481698.db2.gz LJWJDDMFQQGDJF-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001482761593 941659402 /nfs/dbraw/zinc/65/94/02/941659402.db2.gz JJCNXCVBMCFLKI-IAGOWNOFSA-N 2 1 321.465 0.874 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001483485907 942381578 /nfs/dbraw/zinc/38/15/78/942381578.db2.gz OEKTZSHRRDCNOW-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001272413683 942740958 /nfs/dbraw/zinc/74/09/58/942740958.db2.gz HBXNIRDEBCGCHN-NVXWUHKLSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013187 943139168 /nfs/dbraw/zinc/13/91/68/943139168.db2.gz ADQAMGYUYJHIDX-OAGGEKHMSA-N 2 1 315.421 0.413 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013187 943139175 /nfs/dbraw/zinc/13/91/75/943139175.db2.gz ADQAMGYUYJHIDX-OAGGEKHMSA-N 2 1 315.421 0.413 20 30 DCEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001484350231 943331743 /nfs/dbraw/zinc/33/17/43/943331743.db2.gz GHNGALURUAXYJA-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001484947030 943629631 /nfs/dbraw/zinc/62/96/31/943629631.db2.gz SBGDDOYAMUTKTE-UHFFFAOYSA-N 2 1 306.454 0.178 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001484947030 943629632 /nfs/dbraw/zinc/62/96/32/943629632.db2.gz SBGDDOYAMUTKTE-UHFFFAOYSA-N 2 1 306.454 0.178 20 30 DCEDMP C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001485076262 943683634 /nfs/dbraw/zinc/68/36/34/943683634.db2.gz SCWZFZBELBBVPD-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001485076262 943683642 /nfs/dbraw/zinc/68/36/42/943683642.db2.gz SCWZFZBELBBVPD-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001485076262 943683646 /nfs/dbraw/zinc/68/36/46/943683646.db2.gz SCWZFZBELBBVPD-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001485076262 943683649 /nfs/dbraw/zinc/68/36/49/943683649.db2.gz SCWZFZBELBBVPD-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491126430 943773907 /nfs/dbraw/zinc/77/39/07/943773907.db2.gz XYRFDUVVELFIQT-INIZCTEOSA-N 2 1 319.449 0.560 20 30 DCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001272772024 944220204 /nfs/dbraw/zinc/22/02/04/944220204.db2.gz CHGPOWVLDWNCJO-HOTGVXAUSA-N 2 1 309.454 0.993 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CC#CCOC)C2 ZINC001276885823 944343101 /nfs/dbraw/zinc/34/31/01/944343101.db2.gz CJTYAIZKRZYSMP-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CC#CCOC)C2 ZINC001276885823 944343110 /nfs/dbraw/zinc/34/31/10/944343110.db2.gz CJTYAIZKRZYSMP-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](CC#CCOC)C2 ZINC001276885823 944343121 /nfs/dbraw/zinc/34/31/21/944343121.db2.gz CJTYAIZKRZYSMP-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001277080041 944655132 /nfs/dbraw/zinc/65/51/32/944655132.db2.gz ONFLKXYCIFWLHH-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001486237887 944664567 /nfs/dbraw/zinc/66/45/67/944664567.db2.gz MQMUGTAZTDJRKI-OAHLLOKOSA-N 2 1 318.421 0.668 20 30 DCEDMP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001317005083 944734488 /nfs/dbraw/zinc/73/44/88/944734488.db2.gz DWYBNIUYGUBVLF-CVEARBPZSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001277357059 944782770 /nfs/dbraw/zinc/78/27/70/944782770.db2.gz ZAJLOCZCPFGPBY-CQSZACIVSA-N 2 1 306.410 0.716 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001486335664 944794851 /nfs/dbraw/zinc/79/48/51/944794851.db2.gz UBNAGDJNEBFUBA-HNNXBMFYSA-N 2 1 309.454 0.635 20 30 DCEDMP C=C(C)C[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277493892 944843270 /nfs/dbraw/zinc/84/32/70/944843270.db2.gz LRQZYVODRUBEIU-INIZCTEOSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317327900 944926061 /nfs/dbraw/zinc/92/60/61/944926061.db2.gz YFROTVKDSPEZMG-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317396767 944954820 /nfs/dbraw/zinc/95/48/20/944954820.db2.gz QESKXMNZKGXNJL-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246305157 945379934 /nfs/dbraw/zinc/37/99/34/945379934.db2.gz GYVDCCVFQOBWMF-DKUMPPAJSA-N 2 1 311.426 0.322 20 30 DCEDMP COCC#CC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001319404587 945578640 /nfs/dbraw/zinc/57/86/40/945578640.db2.gz GJYDTIGPCKUINM-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001319708589 945650210 /nfs/dbraw/zinc/65/02/10/945650210.db2.gz DSFCCBRWFVEENT-GOEBONIOSA-N 2 1 318.421 0.668 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320272866 945798861 /nfs/dbraw/zinc/79/88/61/945798861.db2.gz JTBKSSDTHKUXKJ-CZUORRHYSA-N 2 1 315.433 0.842 20 30 DCEDMP C=CCN1CC[NH+](C)C2(CCN([C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001255434460 946509158 /nfs/dbraw/zinc/50/91/58/946509158.db2.gz RFOIQXHTBWQNKF-HNNXBMFYSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CCN1CC[NH+](C)C2(CCN([C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001255434460 946509168 /nfs/dbraw/zinc/50/91/68/946509168.db2.gz RFOIQXHTBWQNKF-HNNXBMFYSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CCN1CC[N@@H+](C)C2(CCN([C@H]3CC[NH+](C)C3)CC2)C1=O ZINC001255434460 946509177 /nfs/dbraw/zinc/50/91/77/946509177.db2.gz RFOIQXHTBWQNKF-HNNXBMFYSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CCN1CC[N@H+](C)C2(CCN([C@H]3CC[NH+](C)C3)CC2)C1=O ZINC001255434460 946509184 /nfs/dbraw/zinc/50/91/84/946509184.db2.gz RFOIQXHTBWQNKF-HNNXBMFYSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001262570000 947730215 /nfs/dbraw/zinc/73/02/15/947730215.db2.gz KWPHDOCXWJWVMZ-QGZVFWFLSA-N 2 1 315.417 0.482 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001273465329 947905301 /nfs/dbraw/zinc/90/53/01/947905301.db2.gz JDBGPYWXYJRZDW-MRXNPFEDSA-N 2 1 318.421 0.812 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001273465329 947905308 /nfs/dbraw/zinc/90/53/08/947905308.db2.gz JDBGPYWXYJRZDW-MRXNPFEDSA-N 2 1 318.421 0.812 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001273729517 948054060 /nfs/dbraw/zinc/05/40/60/948054060.db2.gz UFFDQCRXVKYGGC-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001273729517 948054070 /nfs/dbraw/zinc/05/40/70/948054070.db2.gz UFFDQCRXVKYGGC-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001327001691 948359206 /nfs/dbraw/zinc/35/92/06/948359206.db2.gz AOEKUSFMVLHSHL-OAHLLOKOSA-N 2 1 322.409 0.211 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)O2 ZINC001327365411 948479820 /nfs/dbraw/zinc/47/98/20/948479820.db2.gz SNDLZGZNZMGIAK-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)O2 ZINC001327365411 948479824 /nfs/dbraw/zinc/47/98/24/948479824.db2.gz SNDLZGZNZMGIAK-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273880841 948651379 /nfs/dbraw/zinc/65/13/79/948651379.db2.gz GPLJYHNWRRBCLR-WBVHZDCISA-N 2 1 309.454 0.800 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001264986178 949145553 /nfs/dbraw/zinc/14/55/53/949145553.db2.gz BFYHHADFTBOGMX-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001264986178 949145564 /nfs/dbraw/zinc/14/55/64/949145564.db2.gz BFYHHADFTBOGMX-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001264986178 949145578 /nfs/dbraw/zinc/14/55/78/949145578.db2.gz BFYHHADFTBOGMX-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001488761069 949152635 /nfs/dbraw/zinc/15/26/35/949152635.db2.gz GLAHEYFTWXWCMH-LUKYLMHMSA-N 2 1 321.465 0.851 20 30 DCEDMP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001265323225 949607161 /nfs/dbraw/zinc/60/71/61/949607161.db2.gz FZCLUQLYORHUCI-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001489353411 949750104 /nfs/dbraw/zinc/75/01/04/949750104.db2.gz WEYLCTXTJSJMFZ-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001489353411 949750119 /nfs/dbraw/zinc/75/01/19/949750119.db2.gz WEYLCTXTJSJMFZ-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001489353411 949750134 /nfs/dbraw/zinc/75/01/34/949750134.db2.gz WEYLCTXTJSJMFZ-INIZCTEOSA-N 2 1 307.438 0.389 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001265571061 949775071 /nfs/dbraw/zinc/77/50/71/949775071.db2.gz BGJNLNGTXOIMGR-GEEKYZPCSA-N 2 1 307.438 0.746 20 30 DCEDMP CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001329900783 949959304 /nfs/dbraw/zinc/95/93/04/949959304.db2.gz MHLYYHVBVYVKGG-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001490393091 950639302 /nfs/dbraw/zinc/63/93/02/950639302.db2.gz DZNBBUBKIFFAHW-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCN1CCN(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001490494606 950747285 /nfs/dbraw/zinc/74/72/85/950747285.db2.gz LGXWOVPELYXEDL-IAGOWNOFSA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001490494606 950747300 /nfs/dbraw/zinc/74/73/00/950747300.db2.gz LGXWOVPELYXEDL-IAGOWNOFSA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001490494606 950747319 /nfs/dbraw/zinc/74/73/19/950747319.db2.gz LGXWOVPELYXEDL-IAGOWNOFSA-N 2 1 318.465 0.370 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001332280774 951560464 /nfs/dbraw/zinc/56/04/64/951560464.db2.gz KLSIIIWDADONJB-QWHCGFSZSA-N 2 1 304.394 0.858 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001281612580 951561037 /nfs/dbraw/zinc/56/10/37/951561037.db2.gz CBILAXPOCWICJC-MRXNPFEDSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)CCc2cnc[nH]2)CC1 ZINC001274910095 951885675 /nfs/dbraw/zinc/88/56/75/951885675.db2.gz BCCNHFPEQASMIE-UHFFFAOYSA-N 2 1 304.394 0.309 20 30 DCEDMP C=CCN1CC[C@@H](n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C1=O ZINC001333121245 951924510 /nfs/dbraw/zinc/92/45/10/951924510.db2.gz JJRPWRQFDHTOER-OAHLLOKOSA-N 2 1 318.425 0.203 20 30 DCEDMP C=CCNC(=O)CN(C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001275929008 952533614 /nfs/dbraw/zinc/53/36/14/952533614.db2.gz WHGMWHDSZRVQIR-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275929008 952533618 /nfs/dbraw/zinc/53/36/18/952533618.db2.gz WHGMWHDSZRVQIR-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001275929008 952533625 /nfs/dbraw/zinc/53/36/25/952533625.db2.gz WHGMWHDSZRVQIR-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001275929008 952533629 /nfs/dbraw/zinc/53/36/29/952533629.db2.gz WHGMWHDSZRVQIR-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C[NH+](C)CC#CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335968480 952626707 /nfs/dbraw/zinc/62/67/07/952626707.db2.gz GTEMJVQKCADCNH-GOSISDBHSA-N 2 1 301.434 0.778 20 30 DCEDMP C[NH+](C)CC#CC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001335968480 952626710 /nfs/dbraw/zinc/62/67/10/952626710.db2.gz GTEMJVQKCADCNH-GOSISDBHSA-N 2 1 301.434 0.778 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001342564068 953296089 /nfs/dbraw/zinc/29/60/89/953296089.db2.gz FBBWXHWMOXLMPT-WBMJQRKESA-N 2 1 303.410 0.667 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001281808623 953372071 /nfs/dbraw/zinc/37/20/71/953372071.db2.gz MIOJNRCHWVDHAX-JKSUJKDBSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001282013056 953446006 /nfs/dbraw/zinc/44/60/06/953446006.db2.gz ACTBJFBKMMSUNE-NRXISQOPSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001282289708 953537740 /nfs/dbraw/zinc/53/77/40/953537740.db2.gz XXLBWJMENUCBHQ-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001282465352 953596962 /nfs/dbraw/zinc/59/69/62/953596962.db2.gz RTQBKYRSBXIDCY-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001284508587 955141564 /nfs/dbraw/zinc/14/15/64/955141564.db2.gz FEECZCUJMDJJKU-SJORKVTESA-N 2 1 323.481 0.883 20 30 DCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001284508587 955141566 /nfs/dbraw/zinc/14/15/66/955141566.db2.gz FEECZCUJMDJJKU-SJORKVTESA-N 2 1 323.481 0.883 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001284614098 955201943 /nfs/dbraw/zinc/20/19/43/955201943.db2.gz MJRUBUFNBMZFBX-KGLIPLIRSA-N 2 1 324.469 0.503 20 30 DCEDMP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1C#N ZINC001367598346 958149625 /nfs/dbraw/zinc/14/96/25/958149625.db2.gz CDHHBPFMDDEULB-HNNXBMFYSA-N 2 1 322.384 0.216 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001368825013 960321432 /nfs/dbraw/zinc/32/14/32/960321432.db2.gz JPIHIKAKKTZTJS-RUXDESIVSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001368825013 960321441 /nfs/dbraw/zinc/32/14/41/960321441.db2.gz JPIHIKAKKTZTJS-RUXDESIVSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001369185656 964503564 /nfs/dbraw/zinc/50/35/64/964503564.db2.gz JPIHIKAKKTZTJS-MGPQQGTHSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001369185656 964503567 /nfs/dbraw/zinc/50/35/67/964503567.db2.gz JPIHIKAKKTZTJS-MGPQQGTHSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)CN(C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001449246294 1014347606 /nfs/dbraw/zinc/34/76/06/1014347606.db2.gz PVSHLRAMTPEFAN-CYBMUJFWSA-N 2 1 314.817 0.695 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001507072618 1015953791 /nfs/dbraw/zinc/95/37/91/1015953791.db2.gz VZKJOAZUMYBAGL-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001508113631 1016660993 /nfs/dbraw/zinc/66/09/93/1016660993.db2.gz AMVMTNRNGJHVMR-UHFFFAOYSA-N 2 1 322.453 0.352 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001406297491 1003579879 /nfs/dbraw/zinc/57/98/79/1003579879.db2.gz FXHODXHWRGYTAX-STQMWFEESA-N 2 1 303.834 0.680 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001423187726 1010955878 /nfs/dbraw/zinc/95/58/78/1010955878.db2.gz FODIARMRNAEMRQ-CVEARBPZSA-N 2 1 316.405 0.219 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001521490675 1017387165 /nfs/dbraw/zinc/38/71/65/1017387165.db2.gz UIOUZCOIAUCALH-JKSUJKDBSA-N 2 1 324.469 0.193 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001506854587 1017619100 /nfs/dbraw/zinc/61/91/00/1017619100.db2.gz LVDPPYILQIQFRI-BBWFWOEESA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001499275607 1017800126 /nfs/dbraw/zinc/80/01/26/1017800126.db2.gz ZHVMBGDIAJVDJY-MRXNPFEDSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494836115 1018091321 /nfs/dbraw/zinc/09/13/21/1018091321.db2.gz FPJNBDXHSSIYJQ-HNNXBMFYSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494836115 1018091336 /nfs/dbraw/zinc/09/13/36/1018091336.db2.gz FPJNBDXHSSIYJQ-HNNXBMFYSA-N 2 1 306.410 0.927 20 30 DCEDMP COCC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001495233848 1018411703 /nfs/dbraw/zinc/41/17/03/1018411703.db2.gz MZYJPLDMFMCFDF-NVXWUHKLSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001480329746 1018431567 /nfs/dbraw/zinc/43/15/67/1018431567.db2.gz FJVUTRBPRPVJPZ-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N(CC)CC ZINC001480480291 1018577631 /nfs/dbraw/zinc/57/76/31/1018577631.db2.gz QLWYLAAZAALBDM-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N(CC)CC ZINC001480480291 1018577639 /nfs/dbraw/zinc/57/76/39/1018577639.db2.gz QLWYLAAZAALBDM-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001500718176 1018607958 /nfs/dbraw/zinc/60/79/58/1018607958.db2.gz OKJLLPUDGZTRPA-YOEHRIQHSA-N 2 1 318.421 0.493 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001500718176 1018607963 /nfs/dbraw/zinc/60/79/63/1018607963.db2.gz OKJLLPUDGZTRPA-YOEHRIQHSA-N 2 1 318.421 0.493 20 30 DCEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500763532 1018640163 /nfs/dbraw/zinc/64/01/63/1018640163.db2.gz VKHGTVHDIBTJEG-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001480665098 1018756441 /nfs/dbraw/zinc/75/64/41/1018756441.db2.gz ITDODQCLKRDOGM-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001501139576 1018915137 /nfs/dbraw/zinc/91/51/37/1018915137.db2.gz KQJCVNWPVLNECZ-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@H](C)OC)CC1 ZINC001498457926 1019139878 /nfs/dbraw/zinc/13/98/78/1019139878.db2.gz VFMVVSGZUZORCE-CABCVRRESA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001493151838 1019149173 /nfs/dbraw/zinc/14/91/73/1019149173.db2.gz QCOFZFDYXAMJKS-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001498499048 1019169764 /nfs/dbraw/zinc/16/97/64/1019169764.db2.gz WRJAOTOQBAUPNY-CVEARBPZSA-N 2 1 307.438 0.607 20 30 DCEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001502101741 1019721614 /nfs/dbraw/zinc/72/16/14/1019721614.db2.gz IDJTYKMNECECLM-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001502101741 1019721630 /nfs/dbraw/zinc/72/16/30/1019721630.db2.gz IDJTYKMNECECLM-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001660753108 1174044802 /nfs/dbraw/zinc/04/48/02/1174044802.db2.gz MIBPQKKRJGRZSH-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)c1ccccc1 ZINC000264143678 238193405 /nfs/dbraw/zinc/19/34/05/238193405.db2.gz XHQAWDCTDFSHPH-OAHLLOKOSA-N 2 1 306.410 0.347 20 30 DCEDMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCOCC1 ZINC000264144670 238193483 /nfs/dbraw/zinc/19/34/83/238193483.db2.gz XMIJOYMONSAYPN-UHFFFAOYSA-N 2 1 318.421 0.666 20 30 DCEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719437 397283770 /nfs/dbraw/zinc/28/37/70/397283770.db2.gz IFUKXGXTBHIECP-HUUCEWRRSA-N 2 1 324.469 0.819 20 30 DCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719437 397283773 /nfs/dbraw/zinc/28/37/73/397283773.db2.gz IFUKXGXTBHIECP-HUUCEWRRSA-N 2 1 324.469 0.819 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000124990398 415857108 /nfs/dbraw/zinc/85/71/08/415857108.db2.gz AWCAEHLBBUAQQQ-ZNMIVQPWSA-N 2 1 322.453 0.571 20 30 DCEDMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@H+]1C[C@H](C)O ZINC000329574395 416178891 /nfs/dbraw/zinc/17/88/91/416178891.db2.gz RQHDPMVBFQDDAB-ZNMIVQPWSA-N 2 1 312.458 0.772 20 30 DCEDMP COCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180446933 416197181 /nfs/dbraw/zinc/19/71/81/416197181.db2.gz IHRDITBXTKUISC-HNNXBMFYSA-N 2 1 306.410 0.304 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000329294086 416161492 /nfs/dbraw/zinc/16/14/92/416161492.db2.gz RTRUFJQGEYPIFG-RDBSUJKOSA-N 2 1 310.442 0.524 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000329294086 416161497 /nfs/dbraw/zinc/16/14/97/416161497.db2.gz RTRUFJQGEYPIFG-RDBSUJKOSA-N 2 1 310.442 0.524 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000491784192 416629530 /nfs/dbraw/zinc/62/95/30/416629530.db2.gz SFXAGESFOHHVMW-HNNXBMFYSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000491784192 416629534 /nfs/dbraw/zinc/62/95/34/416629534.db2.gz SFXAGESFOHHVMW-HNNXBMFYSA-N 2 1 310.442 0.209 20 30 DCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621372445 417284579 /nfs/dbraw/zinc/28/45/79/417284579.db2.gz VVLWXLNEHLPWND-USTZCAOPSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621372445 417284584 /nfs/dbraw/zinc/28/45/84/417284584.db2.gz VVLWXLNEHLPWND-USTZCAOPSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621372445 417284591 /nfs/dbraw/zinc/28/45/91/417284591.db2.gz VVLWXLNEHLPWND-USTZCAOPSA-N 2 1 308.466 0.890 20 30 DCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000285000396 274041580 /nfs/dbraw/zinc/04/15/80/274041580.db2.gz HYLWZOVHSALSQC-VNHYZAJKSA-N 2 1 322.457 0.742 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2n1CCCC2 ZINC000303892888 279303439 /nfs/dbraw/zinc/30/34/39/279303439.db2.gz ROWICPCYLMLIOP-GFCCVEGCSA-N 2 1 305.430 0.503 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001656234722 1173854521 /nfs/dbraw/zinc/85/45/21/1173854521.db2.gz JYVXNSDYJJCBQX-BZUAXINKSA-N 2 1 307.438 0.462 20 30 DCEDMP C=CCC[C@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000449701951 338647282 /nfs/dbraw/zinc/64/72/82/338647282.db2.gz XYCGVTMCWPUHHW-OAHLLOKOSA-N 2 1 305.426 0.645 20 30 DCEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000267412803 534074609 /nfs/dbraw/zinc/07/46/09/534074609.db2.gz INLXLRUGWAUQSQ-CQSZACIVSA-N 2 1 305.426 0.345 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262823664 526372022 /nfs/dbraw/zinc/37/20/22/526372022.db2.gz XQDUIABGOGGRTL-JSGCOSHPSA-N 2 1 300.472 0.625 20 30 DCEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262363146 528816267 /nfs/dbraw/zinc/81/62/67/528816267.db2.gz HDWOARFPJSOUIH-IUODEOHRSA-N 2 1 312.483 0.646 20 30 DCEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262363146 528816272 /nfs/dbraw/zinc/81/62/72/528816272.db2.gz HDWOARFPJSOUIH-IUODEOHRSA-N 2 1 312.483 0.646 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672357399 547353982 /nfs/dbraw/zinc/35/39/82/547353982.db2.gz ZLFKBYLIQKUWIF-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001676285760 1175434059 /nfs/dbraw/zinc/43/40/59/1175434059.db2.gz HAYPCCXOIMHTPC-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001676285760 1175434062 /nfs/dbraw/zinc/43/40/62/1175434062.db2.gz HAYPCCXOIMHTPC-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645351 661188655 /nfs/dbraw/zinc/18/86/55/661188655.db2.gz ATVYAIKJXZGMSV-ISXOHVOVSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645351 661188656 /nfs/dbraw/zinc/18/86/56/661188656.db2.gz ATVYAIKJXZGMSV-ISXOHVOVSA-N 2 1 305.422 0.570 20 30 DCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645351 661188659 /nfs/dbraw/zinc/18/86/59/661188659.db2.gz ATVYAIKJXZGMSV-ISXOHVOVSA-N 2 1 305.422 0.570 20 30 DCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981785272 661216581 /nfs/dbraw/zinc/21/65/81/661216581.db2.gz ZKHVPIGQVRSXRJ-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981785272 661216582 /nfs/dbraw/zinc/21/65/82/661216582.db2.gz ZKHVPIGQVRSXRJ-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981785272 661216584 /nfs/dbraw/zinc/21/65/84/661216584.db2.gz ZKHVPIGQVRSXRJ-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981820709 661223072 /nfs/dbraw/zinc/22/30/72/661223072.db2.gz ZUAHHPWFFNCTLE-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981820709 661223074 /nfs/dbraw/zinc/22/30/74/661223074.db2.gz ZUAHHPWFFNCTLE-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820709 661223076 /nfs/dbraw/zinc/22/30/76/661223076.db2.gz ZUAHHPWFFNCTLE-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820709 661223078 /nfs/dbraw/zinc/22/30/78/661223078.db2.gz ZUAHHPWFFNCTLE-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCN1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552626 657763840 /nfs/dbraw/zinc/76/38/40/657763840.db2.gz QJXSGINPXVXPOY-WBVHZDCISA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001020594733 658174943 /nfs/dbraw/zinc/17/49/43/658174943.db2.gz XESCGVPYOMRQJS-JOCQHMNTSA-N 2 1 302.378 0.754 20 30 DCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972337768 658586939 /nfs/dbraw/zinc/58/69/39/658586939.db2.gz CJZIQNOLNVPGAI-HUUCEWRRSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972337768 658586946 /nfs/dbraw/zinc/58/69/46/658586946.db2.gz CJZIQNOLNVPGAI-HUUCEWRRSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(C)C)CCO2 ZINC000972417378 658739986 /nfs/dbraw/zinc/73/99/86/658739986.db2.gz UKIULYMWEYGMGG-WMZOPIPTSA-N 2 1 319.449 0.796 20 30 DCEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC(C(=O)OC)CC1 ZINC000073629168 665626623 /nfs/dbraw/zinc/62/66/23/665626623.db2.gz INERKKZAFGCSCU-CYBMUJFWSA-N 2 1 322.453 0.931 20 30 DCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001026530095 659382335 /nfs/dbraw/zinc/38/23/35/659382335.db2.gz DKWNNIVBZYGRCN-KUNBBXKYSA-N 2 1 317.433 0.500 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001009629004 659439415 /nfs/dbraw/zinc/43/94/15/659439415.db2.gz QZGCKQXDKIEXRE-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999759089 665683801 /nfs/dbraw/zinc/68/38/01/665683801.db2.gz AFXWHUFGNZMQAX-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CCN1C[C@@H](NC(=O)[C@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000974750050 659657169 /nfs/dbraw/zinc/65/71/69/659657169.db2.gz HXDGDBGIUCNYDB-DZGCQCFKSA-N 2 1 300.406 0.905 20 30 DCEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245954 661314142 /nfs/dbraw/zinc/31/41/42/661314142.db2.gz RSMOWIZVCJEDNI-OIISXLGYSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245954 661314144 /nfs/dbraw/zinc/31/41/44/661314144.db2.gz RSMOWIZVCJEDNI-OIISXLGYSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245954 661314146 /nfs/dbraw/zinc/31/41/46/661314146.db2.gz RSMOWIZVCJEDNI-OIISXLGYSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245954 661314149 /nfs/dbraw/zinc/31/41/49/661314149.db2.gz RSMOWIZVCJEDNI-OIISXLGYSA-N 2 1 307.438 0.673 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)C[C@@H]1CCOC1 ZINC000261612249 661322571 /nfs/dbraw/zinc/32/25/71/661322571.db2.gz FYERINAETXWIKS-LSDHHAIUSA-N 2 1 311.474 0.166 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001028333515 661461235 /nfs/dbraw/zinc/46/12/35/661461235.db2.gz MQQCKMSUGSHCKR-INIZCTEOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](C)O)CC1 ZINC001028333349 661462765 /nfs/dbraw/zinc/46/27/65/661462765.db2.gz IDMHBQLEYZVASH-HOCLYGCPSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940808053 665851289 /nfs/dbraw/zinc/85/12/89/665851289.db2.gz YBTWIVKKLCFTKX-JKSUJKDBSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940808053 665851291 /nfs/dbraw/zinc/85/12/91/665851291.db2.gz YBTWIVKKLCFTKX-JKSUJKDBSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940808053 665851292 /nfs/dbraw/zinc/85/12/92/665851292.db2.gz YBTWIVKKLCFTKX-JKSUJKDBSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940808053 665851294 /nfs/dbraw/zinc/85/12/94/665851294.db2.gz YBTWIVKKLCFTKX-JKSUJKDBSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940808053 665851296 /nfs/dbraw/zinc/85/12/96/665851296.db2.gz YBTWIVKKLCFTKX-JKSUJKDBSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941230749 665946519 /nfs/dbraw/zinc/94/65/19/665946519.db2.gz JYYNPUZUSIILAB-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941230749 665946523 /nfs/dbraw/zinc/94/65/23/665946523.db2.gz JYYNPUZUSIILAB-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230749 665946525 /nfs/dbraw/zinc/94/65/25/665946525.db2.gz JYYNPUZUSIILAB-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230749 665946527 /nfs/dbraw/zinc/94/65/27/665946527.db2.gz JYYNPUZUSIILAB-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941229495 665950582 /nfs/dbraw/zinc/95/05/82/665950582.db2.gz AWWKNVCJLOBYQV-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941229495 665950583 /nfs/dbraw/zinc/95/05/83/665950583.db2.gz AWWKNVCJLOBYQV-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229495 665950585 /nfs/dbraw/zinc/95/05/85/665950585.db2.gz AWWKNVCJLOBYQV-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229495 665950586 /nfs/dbraw/zinc/95/05/86/665950586.db2.gz AWWKNVCJLOBYQV-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908437494 663755161 /nfs/dbraw/zinc/75/51/61/663755161.db2.gz PEBNYUKJWXNZDW-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(CC)CCO3)CCC[C@@H]12 ZINC000992490141 664727119 /nfs/dbraw/zinc/72/71/19/664727119.db2.gz CMUQMNSQCUEMIA-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992490141 664727120 /nfs/dbraw/zinc/72/71/20/664727120.db2.gz CMUQMNSQCUEMIA-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992490141 664727121 /nfs/dbraw/zinc/72/71/21/664727121.db2.gz CMUQMNSQCUEMIA-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992490141 664727122 /nfs/dbraw/zinc/72/71/22/664727122.db2.gz CMUQMNSQCUEMIA-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992490141 664727123 /nfs/dbraw/zinc/72/71/23/664727123.db2.gz CMUQMNSQCUEMIA-LZLYRXPVSA-N 2 1 319.449 0.844 20 30 DCEDMP CC(C)OC(=O)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000154578060 665151200 /nfs/dbraw/zinc/15/12/00/665151200.db2.gz FPQIGUXUUNBPIX-UHFFFAOYSA-N 2 1 314.430 0.345 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000921434260 665304147 /nfs/dbraw/zinc/30/41/47/665304147.db2.gz FKQPKMATPALBKU-BBRMVZONSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727829 665346429 /nfs/dbraw/zinc/34/64/29/665346429.db2.gz VSPNOIJOJSKXMD-KRWDZBQOSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001032587681 665381155 /nfs/dbraw/zinc/38/11/55/665381155.db2.gz PNHIEKVQGUGONB-HRCADAONSA-N 2 1 305.422 0.404 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941545066 666018110 /nfs/dbraw/zinc/01/81/10/666018110.db2.gz KMWSIUKMWKYBLV-UHFFFAOYSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001423519 666050590 /nfs/dbraw/zinc/05/05/90/666050590.db2.gz BRQKTKITCFBSIY-CVEARBPZSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)C[C@H]2C)CC1 ZINC000945185365 666578369 /nfs/dbraw/zinc/57/83/69/666578369.db2.gz ZXAYZSDQFWSAOG-WBVHZDCISA-N 2 1 321.465 0.805 20 30 DCEDMP C[NH+]=C(NCC(=O)Nc1cccnc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083131270 666628570 /nfs/dbraw/zinc/62/85/70/666628570.db2.gz MDHPMTJWBIJGQT-ZDUSSCGKSA-N 2 1 316.409 0.422 20 30 DCEDMP C[NH+]=C(NCC(=O)Nc1cccnc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083131270 666628572 /nfs/dbraw/zinc/62/85/72/666628572.db2.gz MDHPMTJWBIJGQT-ZDUSSCGKSA-N 2 1 316.409 0.422 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996686553 666863686 /nfs/dbraw/zinc/86/36/86/666863686.db2.gz UWGZLMCXDNDTKH-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996686553 666863689 /nfs/dbraw/zinc/86/36/89/666863689.db2.gz UWGZLMCXDNDTKH-RDJZCZTQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048898 666907835 /nfs/dbraw/zinc/90/78/35/666907835.db2.gz YIKMKDYVSOIIEZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048898 666907836 /nfs/dbraw/zinc/90/78/36/666907836.db2.gz YIKMKDYVSOIIEZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034048898 666907838 /nfs/dbraw/zinc/90/78/38/666907838.db2.gz YIKMKDYVSOIIEZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048898 666907841 /nfs/dbraw/zinc/90/78/41/666907841.db2.gz YIKMKDYVSOIIEZ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274657 666972760 /nfs/dbraw/zinc/97/27/60/666972760.db2.gz UKQPPNOUYJWMCA-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274657 666972763 /nfs/dbraw/zinc/97/27/63/666972763.db2.gz UKQPPNOUYJWMCA-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034274657 666972766 /nfs/dbraw/zinc/97/27/66/666972766.db2.gz UKQPPNOUYJWMCA-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034274657 666972770 /nfs/dbraw/zinc/97/27/70/666972770.db2.gz UKQPPNOUYJWMCA-OWCLPIDISA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1 ZINC001034664148 667092071 /nfs/dbraw/zinc/09/20/71/667092071.db2.gz WJDRYGJCMNAKFO-FPCVCCKLSA-N 2 1 307.438 0.482 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1 ZINC001034664148 667092072 /nfs/dbraw/zinc/09/20/72/667092072.db2.gz WJDRYGJCMNAKFO-FPCVCCKLSA-N 2 1 307.438 0.482 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035371446 667309415 /nfs/dbraw/zinc/30/94/15/667309415.db2.gz SZRIEHUXZPCQOI-HOTGVXAUSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035371446 667309416 /nfs/dbraw/zinc/30/94/16/667309416.db2.gz SZRIEHUXZPCQOI-HOTGVXAUSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@H](C)O)C2)CC1 ZINC001035724372 667404334 /nfs/dbraw/zinc/40/43/34/667404334.db2.gz CTLFMRRSYCFKHT-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C[C@H](C)O)C2)CC1 ZINC001035724372 667404335 /nfs/dbraw/zinc/40/43/35/667404335.db2.gz CTLFMRRSYCFKHT-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCCS(C)(=O)=O ZINC000187054400 667456382 /nfs/dbraw/zinc/45/63/82/667456382.db2.gz FEIHSFASYUJUDU-ZDUSSCGKSA-N 2 1 318.487 0.590 20 30 DCEDMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884192991 667494912 /nfs/dbraw/zinc/49/49/12/667494912.db2.gz SQXNFMRFZWUOOP-HCEZTOJASA-N 2 1 304.438 0.926 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000923556756 667563314 /nfs/dbraw/zinc/56/33/14/667563314.db2.gz ZBMHPMVKWUWIMF-HNNXBMFYSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000923556756 667563316 /nfs/dbraw/zinc/56/33/16/667563316.db2.gz ZBMHPMVKWUWIMF-HNNXBMFYSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN[C@H](c2ccc(O)cc2)C1 ZINC000870083627 667708079 /nfs/dbraw/zinc/70/80/79/667708079.db2.gz XVSASKHWABCQLF-IRXDYDNUSA-N 2 1 313.401 0.963 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN[C@H](c2ccc(O)cc2)C1 ZINC000870083627 667708083 /nfs/dbraw/zinc/70/80/83/667708083.db2.gz XVSASKHWABCQLF-IRXDYDNUSA-N 2 1 313.401 0.963 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001754685106 1157827502 /nfs/dbraw/zinc/82/75/02/1157827502.db2.gz DKFKKJIYUFNBME-MRXNPFEDSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001754685106 1157827509 /nfs/dbraw/zinc/82/75/09/1157827509.db2.gz DKFKKJIYUFNBME-MRXNPFEDSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754685106 1157827517 /nfs/dbraw/zinc/82/75/17/1157827517.db2.gz DKFKKJIYUFNBME-MRXNPFEDSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754685106 1157827523 /nfs/dbraw/zinc/82/75/23/1157827523.db2.gz DKFKKJIYUFNBME-MRXNPFEDSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000876780075 668509429 /nfs/dbraw/zinc/50/94/29/668509429.db2.gz CJYPDSILZPVKMW-CYBMUJFWSA-N 2 1 302.850 0.600 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000781677707 669054206 /nfs/dbraw/zinc/05/42/06/669054206.db2.gz RXMZMUOFUFZTCQ-UHFFFAOYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000781677707 669054211 /nfs/dbraw/zinc/05/42/11/669054211.db2.gz RXMZMUOFUFZTCQ-UHFFFAOYSA-N 2 1 307.438 0.247 20 30 DCEDMP C=CCN1CCN(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000839963433 670174582 /nfs/dbraw/zinc/17/45/82/670174582.db2.gz FWMDQBWXIXMMDX-UHFFFAOYSA-N 2 1 322.453 0.912 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949244500 670295522 /nfs/dbraw/zinc/29/55/22/670295522.db2.gz KPTMHQMEIZOOJM-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380582 670328008 /nfs/dbraw/zinc/32/80/08/670328008.db2.gz JFEWEPSKCGLWGA-ISXOHVOVSA-N 2 1 305.422 0.570 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847377314 670545179 /nfs/dbraw/zinc/54/51/79/670545179.db2.gz WPXWVOQAZVQXDX-OAGGEKHMSA-N 2 1 324.469 0.738 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847377314 670545182 /nfs/dbraw/zinc/54/51/82/670545182.db2.gz WPXWVOQAZVQXDX-OAGGEKHMSA-N 2 1 324.469 0.738 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847377314 670545184 /nfs/dbraw/zinc/54/51/84/670545184.db2.gz WPXWVOQAZVQXDX-OAGGEKHMSA-N 2 1 324.469 0.738 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847377314 670545185 /nfs/dbraw/zinc/54/51/85/670545185.db2.gz WPXWVOQAZVQXDX-OAGGEKHMSA-N 2 1 324.469 0.738 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000837439708 671862058 /nfs/dbraw/zinc/86/20/58/671862058.db2.gz HSJAPWBCPDESSR-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000837439708 671862061 /nfs/dbraw/zinc/86/20/61/671862061.db2.gz HSJAPWBCPDESSR-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000837439708 671862062 /nfs/dbraw/zinc/86/20/62/671862062.db2.gz HSJAPWBCPDESSR-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000088201439 685092637 /nfs/dbraw/zinc/09/26/37/685092637.db2.gz RCQIFBNZPZHKJS-GFCCVEGCSA-N 2 1 319.457 0.388 20 30 DCEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000088201439 685092646 /nfs/dbraw/zinc/09/26/46/685092646.db2.gz RCQIFBNZPZHKJS-GFCCVEGCSA-N 2 1 319.457 0.388 20 30 DCEDMP CO[C@]1(C)C[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C1(C)C ZINC000304774493 685211831 /nfs/dbraw/zinc/21/18/31/685211831.db2.gz BXRBAPXAPMELHU-XJKSGUPXSA-N 2 1 312.458 0.817 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H](C)COC)CC2)CC1 ZINC000957768312 687180460 /nfs/dbraw/zinc/18/04/60/687180460.db2.gz XBDBUNXZZNZANR-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214161 687445038 /nfs/dbraw/zinc/44/50/38/687445038.db2.gz DUOTZGSFVHTMQR-HUUCEWRRSA-N 2 1 307.438 0.600 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958263103 687491983 /nfs/dbraw/zinc/49/19/83/687491983.db2.gz NQBPRDDICJGYBR-HOCLYGCPSA-N 2 1 314.389 0.933 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961772684 688728595 /nfs/dbraw/zinc/72/85/95/688728595.db2.gz RPUUAFAILGJJRH-QMCVQRASSA-N 2 1 312.417 0.824 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961772684 688728596 /nfs/dbraw/zinc/72/85/96/688728596.db2.gz RPUUAFAILGJJRH-QMCVQRASSA-N 2 1 312.417 0.824 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962163389 688834325 /nfs/dbraw/zinc/83/43/25/688834325.db2.gz HBFAXUIKIQQKLC-ZSHCYNCHSA-N 2 1 307.357 0.561 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962163389 688834330 /nfs/dbraw/zinc/83/43/30/688834330.db2.gz HBFAXUIKIQQKLC-ZSHCYNCHSA-N 2 1 307.357 0.561 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000962672438 688965275 /nfs/dbraw/zinc/96/52/75/688965275.db2.gz YAHOBYCOCPCXNI-QXSJWSMHSA-N 2 1 307.438 0.720 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000962672438 688965276 /nfs/dbraw/zinc/96/52/76/688965276.db2.gz YAHOBYCOCPCXNI-QXSJWSMHSA-N 2 1 307.438 0.720 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962672438 688965277 /nfs/dbraw/zinc/96/52/77/688965277.db2.gz YAHOBYCOCPCXNI-QXSJWSMHSA-N 2 1 307.438 0.720 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962672438 688965278 /nfs/dbraw/zinc/96/52/78/688965278.db2.gz YAHOBYCOCPCXNI-QXSJWSMHSA-N 2 1 307.438 0.720 20 30 DCEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001039115385 694306055 /nfs/dbraw/zinc/30/60/55/694306055.db2.gz JZEQRSBCLYWHNW-SJORKVTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001039115385 694306062 /nfs/dbraw/zinc/30/60/62/694306062.db2.gz JZEQRSBCLYWHNW-SJORKVTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039115385 694306066 /nfs/dbraw/zinc/30/60/66/694306066.db2.gz JZEQRSBCLYWHNW-SJORKVTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039115385 694306072 /nfs/dbraw/zinc/30/60/72/694306072.db2.gz JZEQRSBCLYWHNW-SJORKVTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000968907060 690421234 /nfs/dbraw/zinc/42/12/34/690421234.db2.gz CYUWWHOOUDGBIB-GDBMZVCRSA-N 2 1 305.422 0.454 20 30 DCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007991113 690783949 /nfs/dbraw/zinc/78/39/49/690783949.db2.gz RDKFUYNCBBHTBQ-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007991113 690783950 /nfs/dbraw/zinc/78/39/50/690783950.db2.gz RDKFUYNCBBHTBQ-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007991113 690783952 /nfs/dbraw/zinc/78/39/52/690783952.db2.gz RDKFUYNCBBHTBQ-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016690698 692748343 /nfs/dbraw/zinc/74/83/43/692748343.db2.gz SMGUHPYOCGWZSU-OAGGEKHMSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016690698 692748345 /nfs/dbraw/zinc/74/83/45/692748345.db2.gz SMGUHPYOCGWZSU-OAGGEKHMSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569461 692940926 /nfs/dbraw/zinc/94/09/26/692940926.db2.gz MNAMHYDMPVCKJE-QKPAOTATSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569461 692940927 /nfs/dbraw/zinc/94/09/27/692940927.db2.gz MNAMHYDMPVCKJE-QKPAOTATSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001017569461 692940931 /nfs/dbraw/zinc/94/09/31/692940931.db2.gz MNAMHYDMPVCKJE-QKPAOTATSA-N 2 1 305.422 0.711 20 30 DCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001017569461 692940934 /nfs/dbraw/zinc/94/09/34/692940934.db2.gz MNAMHYDMPVCKJE-QKPAOTATSA-N 2 1 305.422 0.711 20 30 DCEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040537895 694566895 /nfs/dbraw/zinc/56/68/95/694566895.db2.gz DFIOQMZCKHUEDM-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040537895 694566898 /nfs/dbraw/zinc/56/68/98/694566898.db2.gz DFIOQMZCKHUEDM-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040537895 694566900 /nfs/dbraw/zinc/56/69/00/694566900.db2.gz DFIOQMZCKHUEDM-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040537895 694566903 /nfs/dbraw/zinc/56/69/03/694566903.db2.gz DFIOQMZCKHUEDM-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)OC)C2 ZINC001072822708 694670509 /nfs/dbraw/zinc/67/05/09/694670509.db2.gz UMGKLWDQBFSXNI-CVEARBPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)OC)C2 ZINC001072822708 694670510 /nfs/dbraw/zinc/67/05/10/694670510.db2.gz UMGKLWDQBFSXNI-CVEARBPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)OC)C2 ZINC001072822708 694670512 /nfs/dbraw/zinc/67/05/12/694670512.db2.gz UMGKLWDQBFSXNI-CVEARBPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)OC)C2 ZINC001072822708 694670513 /nfs/dbraw/zinc/67/05/13/694670513.db2.gz UMGKLWDQBFSXNI-CVEARBPZSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072921568 694684644 /nfs/dbraw/zinc/68/46/44/694684644.db2.gz IISXSAKXOWNFMS-OAHLLOKOSA-N 2 1 312.417 0.921 20 30 DCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072921568 694684645 /nfs/dbraw/zinc/68/46/45/694684645.db2.gz IISXSAKXOWNFMS-OAHLLOKOSA-N 2 1 312.417 0.921 20 30 DCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605450 694750373 /nfs/dbraw/zinc/75/03/73/694750373.db2.gz KZNMNVAMQWAFOU-HOTGVXAUSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001074757330 694920956 /nfs/dbraw/zinc/92/09/56/694920956.db2.gz XYKDYCVUYMUSRR-JOYVLCIYSA-N 2 1 305.422 0.615 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)[C@@H](C)C1 ZINC001570446879 1162518927 /nfs/dbraw/zinc/51/89/27/1162518927.db2.gz ZTIZIKPMMKVNFY-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#CCOC)[C@@H](C)C1 ZINC001570446879 1162518931 /nfs/dbraw/zinc/51/89/31/1162518931.db2.gz ZTIZIKPMMKVNFY-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)[C@@H](C)C1 ZINC001570446879 1162518937 /nfs/dbraw/zinc/51/89/37/1162518937.db2.gz ZTIZIKPMMKVNFY-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCOC)C1 ZINC001570843962 1162632029 /nfs/dbraw/zinc/63/20/29/1162632029.db2.gz SWUZWHMMXVXMCF-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCOC)C1 ZINC001570843962 1162632032 /nfs/dbraw/zinc/63/20/32/1162632032.db2.gz SWUZWHMMXVXMCF-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001571467010 1162771950 /nfs/dbraw/zinc/77/19/50/1162771950.db2.gz DSGXTOAZAZUDAG-UKRRQHHQSA-N 2 1 304.394 0.420 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001571492130 1162781990 /nfs/dbraw/zinc/78/19/90/1162781990.db2.gz ZZSRCHRHAJZIRM-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001571527037 1162795680 /nfs/dbraw/zinc/79/56/80/1162795680.db2.gz QWOLRGAVLWOANZ-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001571527037 1162795684 /nfs/dbraw/zinc/79/56/84/1162795684.db2.gz QWOLRGAVLWOANZ-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001571527037 1162795690 /nfs/dbraw/zinc/79/56/90/1162795690.db2.gz QWOLRGAVLWOANZ-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001571527037 1162795698 /nfs/dbraw/zinc/79/56/98/1162795698.db2.gz QWOLRGAVLWOANZ-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001571565855 1162812593 /nfs/dbraw/zinc/81/25/93/1162812593.db2.gz HGQZKWMFVDQJPD-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001690977177 1157386853 /nfs/dbraw/zinc/38/68/53/1157386853.db2.gz VUSZTXAMSCDUOC-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001690977177 1157386858 /nfs/dbraw/zinc/38/68/58/1157386858.db2.gz VUSZTXAMSCDUOC-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001690977177 1157386864 /nfs/dbraw/zinc/38/68/64/1157386864.db2.gz VUSZTXAMSCDUOC-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001690977177 1157386869 /nfs/dbraw/zinc/38/68/69/1157386869.db2.gz VUSZTXAMSCDUOC-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001670469756 1157447141 /nfs/dbraw/zinc/44/71/41/1157447141.db2.gz LPSGLABQPURNJT-IAGOWNOFSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)C[C@@H](C)O)C2)CC1 ZINC001691997534 1157565328 /nfs/dbraw/zinc/56/53/28/1157565328.db2.gz DMYBFVVOALLQFU-HZPDHXFCSA-N 2 1 321.465 0.493 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1OCC ZINC001692042384 1157636663 /nfs/dbraw/zinc/63/66/63/1157636663.db2.gz RCUMELVYDPALTR-GVDBMIGSSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001691352524 1157650935 /nfs/dbraw/zinc/65/09/35/1157650935.db2.gz ZNVGYCPJCWEXGS-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)CNC(=O)CC[NH+](C)C ZINC001746196294 1158302914 /nfs/dbraw/zinc/30/29/14/1158302914.db2.gz CJGPVYLQYWRCQT-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)CNC(=O)CC[NH+](C)C ZINC001746196294 1158302922 /nfs/dbraw/zinc/30/29/22/1158302922.db2.gz CJGPVYLQYWRCQT-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001670903214 1158622879 /nfs/dbraw/zinc/62/28/79/1158622879.db2.gz BRTLKPRNITZLDM-OKILXGFUSA-N 2 1 322.453 0.400 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001317943822 1159157816 /nfs/dbraw/zinc/15/78/16/1159157816.db2.gz XBBWGCDZWJJVBB-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001317943822 1159157820 /nfs/dbraw/zinc/15/78/20/1159157820.db2.gz XBBWGCDZWJJVBB-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CC#CCOC ZINC001566012398 1159943197 /nfs/dbraw/zinc/94/31/97/1159943197.db2.gz LBELWVQKQMUZNZ-WCXIOVBPSA-N 2 1 321.465 0.946 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC#CCOC ZINC001566012398 1159943205 /nfs/dbraw/zinc/94/32/05/1159943205.db2.gz LBELWVQKQMUZNZ-WCXIOVBPSA-N 2 1 321.465 0.946 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC#CCOC ZINC001566012398 1159943211 /nfs/dbraw/zinc/94/32/11/1159943211.db2.gz LBELWVQKQMUZNZ-WCXIOVBPSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001566652112 1160112714 /nfs/dbraw/zinc/11/27/14/1160112714.db2.gz FOIWRZWSABCVIS-UHFFFAOYSA-N 2 1 322.497 0.721 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001566652112 1160112719 /nfs/dbraw/zinc/11/27/19/1160112719.db2.gz FOIWRZWSABCVIS-UHFFFAOYSA-N 2 1 322.497 0.721 20 30 DCEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001567200211 1160271458 /nfs/dbraw/zinc/27/14/58/1160271458.db2.gz SNWFFNOGYSGBLQ-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001567200211 1160271462 /nfs/dbraw/zinc/27/14/62/1160271462.db2.gz SNWFFNOGYSGBLQ-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001568453907 1160649426 /nfs/dbraw/zinc/64/94/26/1160649426.db2.gz BAZTZZWZQQGXBD-LSDHHAIUSA-N 2 1 324.469 0.503 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccn1 ZINC001568997414 1160913079 /nfs/dbraw/zinc/91/30/79/1160913079.db2.gz BOCVVDOLIJGWBF-ZBFHGGJFSA-N 2 1 300.406 0.774 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccn1 ZINC001568997414 1160913083 /nfs/dbraw/zinc/91/30/83/1160913083.db2.gz BOCVVDOLIJGWBF-ZBFHGGJFSA-N 2 1 300.406 0.774 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001569136589 1160956032 /nfs/dbraw/zinc/95/60/32/1160956032.db2.gz VLHFWZRGAKPSBR-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569759948 1161231214 /nfs/dbraw/zinc/23/12/14/1161231214.db2.gz PWJUTAPTPUTAFV-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569896171 1161301790 /nfs/dbraw/zinc/30/17/90/1161301790.db2.gz ZEERFAFFZFQZGL-GDBMZVCRSA-N 2 1 315.433 0.795 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569896171 1161301795 /nfs/dbraw/zinc/30/17/95/1161301795.db2.gz ZEERFAFFZFQZGL-GDBMZVCRSA-N 2 1 315.433 0.795 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001569990013 1161372193 /nfs/dbraw/zinc/37/21/93/1161372193.db2.gz OOCRCDRTIBPRMK-INIZCTEOSA-N 2 1 318.421 0.670 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001570153018 1161454084 /nfs/dbraw/zinc/45/40/84/1161454084.db2.gz CFZUPPHRIDEGEU-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001570187392 1161481958 /nfs/dbraw/zinc/48/19/58/1161481958.db2.gz LJGZSABJAGANQN-INIZCTEOSA-N 2 1 307.438 0.703 20 30 DCEDMP C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575941248 1164189356 /nfs/dbraw/zinc/18/93/56/1164189356.db2.gz MMRBDOQXOZKZJY-VHDGCEQUSA-N 2 1 305.426 0.899 20 30 DCEDMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC001575962565 1164194870 /nfs/dbraw/zinc/19/48/70/1164194870.db2.gz UKIAHGSPLZBLHV-LSDHHAIUSA-N 2 1 309.458 0.540 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001656779495 1173882977 /nfs/dbraw/zinc/88/29/77/1173882977.db2.gz BDZXUGGYRGBJDJ-INIZCTEOSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCNC(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001657659679 1173914220 /nfs/dbraw/zinc/91/42/20/1173914220.db2.gz AHNXYEQHTPFZIW-UHFFFAOYSA-N 2 1 320.412 0.969 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001660753108 1174044793 /nfs/dbraw/zinc/04/47/93/1174044793.db2.gz MIBPQKKRJGRZSH-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001660753108 1174044798 /nfs/dbraw/zinc/04/47/98/1174044798.db2.gz MIBPQKKRJGRZSH-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001660765094 1174047334 /nfs/dbraw/zinc/04/73/34/1174047334.db2.gz NBIHVFCSIABDQK-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001660925309 1174069700 /nfs/dbraw/zinc/06/97/00/1174069700.db2.gz JSSLASOMGASERN-INIZCTEOSA-N 2 1 308.470 0.781 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001661157493 1174102874 /nfs/dbraw/zinc/10/28/74/1174102874.db2.gz TUPLBKCGLKJMOC-XIRDDKMYSA-N 2 1 321.465 0.851 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001661995223 1174173466 /nfs/dbraw/zinc/17/34/66/1174173466.db2.gz DZACZSSBGGAYEL-GJZGRUSLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001663620903 1174333543 /nfs/dbraw/zinc/33/35/43/1174333543.db2.gz RRKXWULCTCLQDJ-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001663944379 1174374478 /nfs/dbraw/zinc/37/44/78/1174374478.db2.gz SGFOWHFNRIIRFM-OAHLLOKOSA-N 2 1 303.410 0.861 20 30 DCEDMP C#CCC[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001663944379 1174374484 /nfs/dbraw/zinc/37/44/84/1174374484.db2.gz SGFOWHFNRIIRFM-OAHLLOKOSA-N 2 1 303.410 0.861 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001667701583 1174703522 /nfs/dbraw/zinc/70/35/22/1174703522.db2.gz NJIPOLSHTBCODR-SJORKVTESA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001667701583 1174703525 /nfs/dbraw/zinc/70/35/25/1174703525.db2.gz NJIPOLSHTBCODR-SJORKVTESA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001667701583 1174703529 /nfs/dbraw/zinc/70/35/29/1174703529.db2.gz NJIPOLSHTBCODR-SJORKVTESA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001671603833 1175021566 /nfs/dbraw/zinc/02/15/66/1175021566.db2.gz UHPGHMAKZYIGTJ-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001672294202 1175098187 /nfs/dbraw/zinc/09/81/87/1175098187.db2.gz QSPMMLZVHQRXNZ-STQMWFEESA-N 2 1 304.394 0.667 20 30 DCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001676285761 1175433813 /nfs/dbraw/zinc/43/38/13/1175433813.db2.gz HAYPCCXOIMHTPC-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001676285761 1175433816 /nfs/dbraw/zinc/43/38/16/1175433816.db2.gz HAYPCCXOIMHTPC-JKSUJKDBSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001676819934 1175493087 /nfs/dbraw/zinc/49/30/87/1175493087.db2.gz DYUJHRLZDCFOQM-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001676819934 1175493089 /nfs/dbraw/zinc/49/30/89/1175493089.db2.gz DYUJHRLZDCFOQM-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001689887617 1177103249 /nfs/dbraw/zinc/10/32/49/1177103249.db2.gz JULNUKPXVZMEFS-OAHLLOKOSA-N 2 1 322.453 0.307 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690091751 1177169529 /nfs/dbraw/zinc/16/95/29/1177169529.db2.gz FVDCKYDLDJOONO-JKSUJKDBSA-N 2 1 305.422 0.169 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690091751 1177169532 /nfs/dbraw/zinc/16/95/32/1177169532.db2.gz FVDCKYDLDJOONO-JKSUJKDBSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001690434070 1177242090 /nfs/dbraw/zinc/24/20/90/1177242090.db2.gz OREDQFWXJQLVEW-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001690434070 1177242096 /nfs/dbraw/zinc/24/20/96/1177242096.db2.gz OREDQFWXJQLVEW-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCO)C1 ZINC001691882515 1177374442 /nfs/dbraw/zinc/37/44/42/1177374442.db2.gz RHKDIJHFTDDSOI-XHSDSOJGSA-N 2 1 307.438 0.341 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCO)C1 ZINC001691882515 1177374446 /nfs/dbraw/zinc/37/44/46/1177374446.db2.gz RHKDIJHFTDDSOI-XHSDSOJGSA-N 2 1 307.438 0.341 20 30 DCEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001691951318 1177391350 /nfs/dbraw/zinc/39/13/50/1177391350.db2.gz FGGKQWNYFVNQTD-ARFHVFGLSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001691951318 1177391358 /nfs/dbraw/zinc/39/13/58/1177391358.db2.gz FGGKQWNYFVNQTD-ARFHVFGLSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001692245153 1177458214 /nfs/dbraw/zinc/45/82/14/1177458214.db2.gz MCJGTUPZLIIKJJ-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001692245153 1177458223 /nfs/dbraw/zinc/45/82/23/1177458223.db2.gz MCJGTUPZLIIKJJ-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001692245153 1177458231 /nfs/dbraw/zinc/45/82/31/1177458231.db2.gz MCJGTUPZLIIKJJ-IRXDYDNUSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001698586201 1177571972 /nfs/dbraw/zinc/57/19/72/1177571972.db2.gz POIXTOLMWSSDRW-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001698586201 1177571976 /nfs/dbraw/zinc/57/19/76/1177571976.db2.gz POIXTOLMWSSDRW-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001698586663 1177572108 /nfs/dbraw/zinc/57/21/08/1177572108.db2.gz KBFVGKMWESGFDF-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001698586663 1177572112 /nfs/dbraw/zinc/57/21/12/1177572112.db2.gz KBFVGKMWESGFDF-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001698586663 1177572119 /nfs/dbraw/zinc/57/21/19/1177572119.db2.gz KBFVGKMWESGFDF-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001698586663 1177572126 /nfs/dbraw/zinc/57/21/26/1177572126.db2.gz KBFVGKMWESGFDF-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001698586662 1177573228 /nfs/dbraw/zinc/57/32/28/1177573228.db2.gz KBFVGKMWESGFDF-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001698586662 1177573233 /nfs/dbraw/zinc/57/32/33/1177573233.db2.gz KBFVGKMWESGFDF-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001698586662 1177573236 /nfs/dbraw/zinc/57/32/36/1177573236.db2.gz KBFVGKMWESGFDF-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001698586662 1177573243 /nfs/dbraw/zinc/57/32/43/1177573243.db2.gz KBFVGKMWESGFDF-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001698954250 1177735256 /nfs/dbraw/zinc/73/52/56/1177735256.db2.gz ZKTUYCXMNILHKA-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001698954250 1177735268 /nfs/dbraw/zinc/73/52/68/1177735268.db2.gz ZKTUYCXMNILHKA-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001698954250 1177735276 /nfs/dbraw/zinc/73/52/76/1177735276.db2.gz ZKTUYCXMNILHKA-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001698954250 1177735288 /nfs/dbraw/zinc/73/52/88/1177735288.db2.gz ZKTUYCXMNILHKA-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001698954250 1177735295 /nfs/dbraw/zinc/73/52/95/1177735295.db2.gz ZKTUYCXMNILHKA-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001699013807 1177772558 /nfs/dbraw/zinc/77/25/58/1177772558.db2.gz AMWQWMAZRAIJJO-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699047784 1177796149 /nfs/dbraw/zinc/79/61/49/1177796149.db2.gz ONRNJWRGOBHUNO-ZBFHGGJFSA-N 2 1 309.454 0.894 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001699703946 1178256666 /nfs/dbraw/zinc/25/66/66/1178256666.db2.gz OXRPEEYROGGICT-SFHVURJKSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001699703946 1178256673 /nfs/dbraw/zinc/25/66/73/1178256673.db2.gz OXRPEEYROGGICT-SFHVURJKSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001699703946 1178256680 /nfs/dbraw/zinc/25/66/80/1178256680.db2.gz OXRPEEYROGGICT-SFHVURJKSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCOCC1 ZINC001699881245 1178329309 /nfs/dbraw/zinc/32/93/09/1178329309.db2.gz WIWPVCPQESBTJU-MRXNPFEDSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001699898080 1178349511 /nfs/dbraw/zinc/34/95/11/1178349511.db2.gz LNRAEDLTACJINJ-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001699898080 1178349519 /nfs/dbraw/zinc/34/95/19/1178349519.db2.gz LNRAEDLTACJINJ-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001699898080 1178349527 /nfs/dbraw/zinc/34/95/27/1178349527.db2.gz LNRAEDLTACJINJ-UXLLHSPISA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001700038428 1178452861 /nfs/dbraw/zinc/45/28/61/1178452861.db2.gz HWRZAFZMCWDBGM-MRXNPFEDSA-N 2 1 315.433 0.795 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001700294610 1178567713 /nfs/dbraw/zinc/56/77/13/1178567713.db2.gz ZDEBCCJCOSCBJD-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001700294610 1178567720 /nfs/dbraw/zinc/56/77/20/1178567720.db2.gz ZDEBCCJCOSCBJD-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001700294610 1178567727 /nfs/dbraw/zinc/56/77/27/1178567727.db2.gz ZDEBCCJCOSCBJD-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001700824619 1178765230 /nfs/dbraw/zinc/76/52/30/1178765230.db2.gz XCKDLMWNSRJGRB-CABCVRRESA-N 2 1 304.394 0.420 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCn2cncc2C1)CCOC ZINC001701003685 1178871228 /nfs/dbraw/zinc/87/12/28/1178871228.db2.gz QCGUBDIVIHCXEZ-OAHLLOKOSA-N 2 1 318.421 0.533 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)[C@@H]1CCn2cncc2C1)CCOC ZINC001701003685 1178871238 /nfs/dbraw/zinc/87/12/38/1178871238.db2.gz QCGUBDIVIHCXEZ-OAHLLOKOSA-N 2 1 318.421 0.533 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001713771634 1181055466 /nfs/dbraw/zinc/05/54/66/1181055466.db2.gz NTDRKLXYTXQYAO-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001713771634 1181055472 /nfs/dbraw/zinc/05/54/72/1181055472.db2.gz NTDRKLXYTXQYAO-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001713771634 1181055485 /nfs/dbraw/zinc/05/54/85/1181055485.db2.gz NTDRKLXYTXQYAO-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001714047650 1181224522 /nfs/dbraw/zinc/22/45/22/1181224522.db2.gz DYFASOFVKHZWFP-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001714125509 1181255835 /nfs/dbraw/zinc/25/58/35/1181255835.db2.gz XAEKGPSOXKEZBC-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnc(C)o1 ZINC001714399821 1181349937 /nfs/dbraw/zinc/34/99/37/1181349937.db2.gz NWKRYKJSINZRFP-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnc(C)o1 ZINC001714399821 1181349940 /nfs/dbraw/zinc/34/99/40/1181349940.db2.gz NWKRYKJSINZRFP-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1ncccn1 ZINC001714714057 1181498416 /nfs/dbraw/zinc/49/84/16/1181498416.db2.gz CVENMLQAOOHWIG-GJZGRUSLSA-N 2 1 315.421 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1ncccn1 ZINC001714714057 1181498419 /nfs/dbraw/zinc/49/84/19/1181498419.db2.gz CVENMLQAOOHWIG-GJZGRUSLSA-N 2 1 315.421 0.683 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001714758204 1181527867 /nfs/dbraw/zinc/52/78/67/1181527867.db2.gz ZTGUFCIDQDSKET-CQSZACIVSA-N 2 1 324.469 0.150 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001714898833 1181595119 /nfs/dbraw/zinc/59/51/19/1181595119.db2.gz YYPGVSKHXGYDLE-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001714898833 1181595123 /nfs/dbraw/zinc/59/51/23/1181595123.db2.gz YYPGVSKHXGYDLE-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001714898833 1181595131 /nfs/dbraw/zinc/59/51/31/1181595131.db2.gz YYPGVSKHXGYDLE-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001715188576 1181710878 /nfs/dbraw/zinc/71/08/78/1181710878.db2.gz HBCWTCFKCYOLGC-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2nonc2C)CC1 ZINC001716010062 1182142565 /nfs/dbraw/zinc/14/25/65/1182142565.db2.gz VUYZHTUYIGMSEB-LBPRGKRZSA-N 2 1 319.409 0.318 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001716849781 1182548965 /nfs/dbraw/zinc/54/89/65/1182548965.db2.gz DITDLGZVVWFWKO-KRWDZBQOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001716849781 1182548969 /nfs/dbraw/zinc/54/89/69/1182548969.db2.gz DITDLGZVVWFWKO-KRWDZBQOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001716849781 1182548972 /nfs/dbraw/zinc/54/89/72/1182548972.db2.gz DITDLGZVVWFWKO-KRWDZBQOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001716849781 1182548976 /nfs/dbraw/zinc/54/89/76/1182548976.db2.gz DITDLGZVVWFWKO-KRWDZBQOSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001716944354 1182597352 /nfs/dbraw/zinc/59/73/52/1182597352.db2.gz YELYLCCMYZOWPN-HUUCEWRRSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001716944354 1182597356 /nfs/dbraw/zinc/59/73/56/1182597356.db2.gz YELYLCCMYZOWPN-HUUCEWRRSA-N 2 1 307.438 0.742 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001716991424 1182613247 /nfs/dbraw/zinc/61/32/47/1182613247.db2.gz ABEDCYSRKYXCGV-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001717304842 1182773347 /nfs/dbraw/zinc/77/33/47/1182773347.db2.gz UXAGXUXMSLEDLY-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)CCc2cnc[nH]2)CC1 ZINC001717351307 1182795691 /nfs/dbraw/zinc/79/56/91/1182795691.db2.gz LZFJNTTULQHYAA-UHFFFAOYSA-N 2 1 306.410 0.862 20 30 DCEDMP C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001717374999 1182808052 /nfs/dbraw/zinc/80/80/52/1182808052.db2.gz YFYMHRBMDKZRBP-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001717374999 1182808058 /nfs/dbraw/zinc/80/80/58/1182808058.db2.gz YFYMHRBMDKZRBP-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001717374999 1182808066 /nfs/dbraw/zinc/80/80/66/1182808066.db2.gz YFYMHRBMDKZRBP-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001717374999 1182808074 /nfs/dbraw/zinc/80/80/74/1182808074.db2.gz YFYMHRBMDKZRBP-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001717374999 1182808080 /nfs/dbraw/zinc/80/80/80/1182808080.db2.gz YFYMHRBMDKZRBP-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001717575337 1182906348 /nfs/dbraw/zinc/90/63/48/1182906348.db2.gz BZYJFNZPXQXOSY-QGZVFWFLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001717575337 1182906352 /nfs/dbraw/zinc/90/63/52/1182906352.db2.gz BZYJFNZPXQXOSY-QGZVFWFLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001717575337 1182906358 /nfs/dbraw/zinc/90/63/58/1182906358.db2.gz BZYJFNZPXQXOSY-QGZVFWFLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001717575337 1182906363 /nfs/dbraw/zinc/90/63/63/1182906363.db2.gz BZYJFNZPXQXOSY-QGZVFWFLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC1CCCC1 ZINC001717767994 1182988735 /nfs/dbraw/zinc/98/87/35/1182988735.db2.gz LSCYOTYPQFTLAA-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC1CCCC1 ZINC001717767994 1182988737 /nfs/dbraw/zinc/98/87/37/1182988737.db2.gz LSCYOTYPQFTLAA-IRXDYDNUSA-N 2 1 321.465 0.731 20 30 DCEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001717926824 1183066944 /nfs/dbraw/zinc/06/69/44/1183066944.db2.gz FMFKCVSJXYISHZ-HOCLYGCPSA-N 2 1 320.437 0.739 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001717938144 1183075701 /nfs/dbraw/zinc/07/57/01/1183075701.db2.gz GCRRKIVGDIELTR-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001717938144 1183075705 /nfs/dbraw/zinc/07/57/05/1183075705.db2.gz GCRRKIVGDIELTR-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001717938144 1183075710 /nfs/dbraw/zinc/07/57/10/1183075710.db2.gz GCRRKIVGDIELTR-HRCADAONSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724420145 1184438132 /nfs/dbraw/zinc/43/81/32/1184438132.db2.gz NEFSWQVVLRWBIK-SFHVURJKSA-N 2 1 315.417 0.548 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001724632252 1184483092 /nfs/dbraw/zinc/48/30/92/1184483092.db2.gz ZAJGTBPMTQCHBR-QGZVFWFLSA-N 2 1 320.481 0.663 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001724811807 1184567493 /nfs/dbraw/zinc/56/74/93/1184567493.db2.gz PSUIWLFGSKBLRX-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001724957501 1184635060 /nfs/dbraw/zinc/63/50/60/1184635060.db2.gz LOSHQWUFLZABJT-UHFFFAOYSA-N 2 1 318.421 0.812 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001725201313 1184722451 /nfs/dbraw/zinc/72/24/51/1184722451.db2.gz FAVQFBBHRQWMKJ-UHFFFAOYSA-N 2 1 321.465 0.992 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001725320050 1184767731 /nfs/dbraw/zinc/76/77/31/1184767731.db2.gz BAXITBASARNWJY-ZBFHGGJFSA-N 2 1 318.421 0.810 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725696160 1184948934 /nfs/dbraw/zinc/94/89/34/1184948934.db2.gz SAUPHDWKNYKEHQ-DOTOQJQBSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001725715355 1184965995 /nfs/dbraw/zinc/96/59/95/1184965995.db2.gz FPFQIQDIKQRNHS-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725715355 1184966000 /nfs/dbraw/zinc/96/60/00/1184966000.db2.gz FPFQIQDIKQRNHS-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725715355 1184966004 /nfs/dbraw/zinc/96/60/04/1184966004.db2.gz FPFQIQDIKQRNHS-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001725803802 1185000173 /nfs/dbraw/zinc/00/01/73/1185000173.db2.gz HELCHSYEVXTDNB-ZDUSSCGKSA-N 2 1 303.834 0.755 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731424656 1185326891 /nfs/dbraw/zinc/32/68/91/1185326891.db2.gz JRUXSAXUACERQQ-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001731424656 1185326902 /nfs/dbraw/zinc/32/69/02/1185326902.db2.gz JRUXSAXUACERQQ-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001731424656 1185326909 /nfs/dbraw/zinc/32/69/09/1185326909.db2.gz JRUXSAXUACERQQ-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001731595460 1185403881 /nfs/dbraw/zinc/40/38/81/1185403881.db2.gz VBZDXMTYJXSBMI-HZSPNIEDSA-N 2 1 310.442 0.113 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731712191 1185453067 /nfs/dbraw/zinc/45/30/67/1185453067.db2.gz FGJNJCAJBYYOFJ-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731712191 1185453068 /nfs/dbraw/zinc/45/30/68/1185453068.db2.gz FGJNJCAJBYYOFJ-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001731760410 1185472141 /nfs/dbraw/zinc/47/21/41/1185472141.db2.gz DFRHHHLYFACXRT-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001731861285 1185535819 /nfs/dbraw/zinc/53/58/19/1185535819.db2.gz STDWSFWAAISOHT-HNNXBMFYSA-N 2 1 304.394 0.279 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001731861285 1185535827 /nfs/dbraw/zinc/53/58/27/1185535827.db2.gz STDWSFWAAISOHT-HNNXBMFYSA-N 2 1 304.394 0.279 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732127140 1185686775 /nfs/dbraw/zinc/68/67/75/1185686775.db2.gz KABFISZTUWRZRA-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ocnc1C ZINC001732346886 1185775368 /nfs/dbraw/zinc/77/53/68/1185775368.db2.gz FUWZWCSMZHMNRX-ZFWWWQNUSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ocnc1C ZINC001732346886 1185775371 /nfs/dbraw/zinc/77/53/71/1185775371.db2.gz FUWZWCSMZHMNRX-ZFWWWQNUSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001732441576 1185817789 /nfs/dbraw/zinc/81/77/89/1185817789.db2.gz XGTHRITWXDGULD-ZDUSSCGKSA-N 2 1 304.394 0.954 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001752329891 1188413174 /nfs/dbraw/zinc/41/31/74/1188413174.db2.gz GEPCIGNRQGSMRI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001752329891 1188413177 /nfs/dbraw/zinc/41/31/77/1188413177.db2.gz GEPCIGNRQGSMRI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001752329891 1188413180 /nfs/dbraw/zinc/41/31/80/1188413180.db2.gz GEPCIGNRQGSMRI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752329891 1188413182 /nfs/dbraw/zinc/41/31/82/1188413182.db2.gz GEPCIGNRQGSMRI-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001752526385 1188426941 /nfs/dbraw/zinc/42/69/41/1188426941.db2.gz UFOYDKJWTWHFJN-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001752526385 1188426942 /nfs/dbraw/zinc/42/69/42/1188426942.db2.gz UFOYDKJWTWHFJN-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001752526385 1188426943 /nfs/dbraw/zinc/42/69/43/1188426943.db2.gz UFOYDKJWTWHFJN-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001752526385 1188426944 /nfs/dbraw/zinc/42/69/44/1188426944.db2.gz UFOYDKJWTWHFJN-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001752790409 1188442035 /nfs/dbraw/zinc/44/20/35/1188442035.db2.gz XXHREWLKOXRJPF-HOTGVXAUSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752977088 1188470952 /nfs/dbraw/zinc/47/09/52/1188470952.db2.gz BVOXNXXRKQLKQL-JKSUJKDBSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001754758761 1188925661 /nfs/dbraw/zinc/92/56/61/1188925661.db2.gz DSJPVBBFOOOAPE-WMLDXEAASA-N 2 1 320.437 0.870 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCOCC1)C2 ZINC001754830943 1188943219 /nfs/dbraw/zinc/94/32/19/1188943219.db2.gz ITECSUYWNKPIGH-BJWYYQGGSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCOCC1)C2 ZINC001754830943 1188943221 /nfs/dbraw/zinc/94/32/21/1188943221.db2.gz ITECSUYWNKPIGH-BJWYYQGGSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001754857533 1188951326 /nfs/dbraw/zinc/95/13/26/1188951326.db2.gz JQHDJIIPDHUFKN-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001754948322 1188978052 /nfs/dbraw/zinc/97/80/52/1188978052.db2.gz YFJGDMVZNOIYDH-WMLDXEAASA-N 2 1 315.417 0.917 20 30 DCEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001754948322 1188978055 /nfs/dbraw/zinc/97/80/55/1188978055.db2.gz YFJGDMVZNOIYDH-WMLDXEAASA-N 2 1 315.417 0.917 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001755033831 1189001735 /nfs/dbraw/zinc/00/17/35/1189001735.db2.gz FYGQBYGZEAHJJJ-GJZGRUSLSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755573079 1189150921 /nfs/dbraw/zinc/15/09/21/1189150921.db2.gz MGSWSZBXPBFWLU-CABCVRRESA-N 2 1 322.453 0.067 20 30 DCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001755786610 1189212393 /nfs/dbraw/zinc/21/23/93/1189212393.db2.gz GAPNQNOLMACIOF-ZBFHGGJFSA-N 2 1 320.437 0.739 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001755787417 1189213738 /nfs/dbraw/zinc/21/37/38/1189213738.db2.gz VORNQJMHYUXZRZ-HOCLYGCPSA-N 2 1 318.421 0.186 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001124873209 751728666 /nfs/dbraw/zinc/72/86/66/751728666.db2.gz SIXWEYVLTJNHHJ-HNNXBMFYSA-N 2 1 304.369 0.997 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)CCC[NH+](C)C)nn2)C1 ZINC001107200128 751945793 /nfs/dbraw/zinc/94/57/93/751945793.db2.gz ZMWVAEYJYKJGEH-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167237102 747034195 /nfs/dbraw/zinc/03/41/95/747034195.db2.gz UNWSYTMSFKKVRU-HZPDHXFCSA-N 2 1 321.465 0.710 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001105365450 748528515 /nfs/dbraw/zinc/52/85/15/748528515.db2.gz TYTXKKOMTDRSKV-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001105365450 748528519 /nfs/dbraw/zinc/52/85/19/748528519.db2.gz TYTXKKOMTDRSKV-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700806 749023779 /nfs/dbraw/zinc/02/37/79/749023779.db2.gz ZFWMXAUJGLEDKU-ARFHVFGLSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700806 749023782 /nfs/dbraw/zinc/02/37/82/749023782.db2.gz ZFWMXAUJGLEDKU-ARFHVFGLSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700806 749023785 /nfs/dbraw/zinc/02/37/85/749023785.db2.gz ZFWMXAUJGLEDKU-ARFHVFGLSA-N 2 1 307.438 0.698 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700806 749023787 /nfs/dbraw/zinc/02/37/87/749023787.db2.gz ZFWMXAUJGLEDKU-ARFHVFGLSA-N 2 1 307.438 0.698 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203431382 749858892 /nfs/dbraw/zinc/85/88/92/749858892.db2.gz FCEUBKMZGAUNSR-UHFFFAOYSA-N 2 1 324.469 0.601 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518977 750088918 /nfs/dbraw/zinc/08/89/18/750088918.db2.gz YATFTGZAYSJMFJ-XHSDSOJGSA-N 2 1 309.454 0.702 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518977 750088921 /nfs/dbraw/zinc/08/89/21/750088921.db2.gz YATFTGZAYSJMFJ-XHSDSOJGSA-N 2 1 309.454 0.702 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518977 750088925 /nfs/dbraw/zinc/08/89/25/750088925.db2.gz YATFTGZAYSJMFJ-XHSDSOJGSA-N 2 1 309.454 0.702 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522175 750090998 /nfs/dbraw/zinc/09/09/98/750090998.db2.gz WMJJZARKICNVHH-OAGGEKHMSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522175 750091001 /nfs/dbraw/zinc/09/10/01/750091001.db2.gz WMJJZARKICNVHH-OAGGEKHMSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522175 750091005 /nfs/dbraw/zinc/09/10/05/750091005.db2.gz WMJJZARKICNVHH-OAGGEKHMSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524421 750096047 /nfs/dbraw/zinc/09/60/47/750096047.db2.gz UDQXBLVOFDVMLN-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524421 750096058 /nfs/dbraw/zinc/09/60/58/750096058.db2.gz UDQXBLVOFDVMLN-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524421 750096062 /nfs/dbraw/zinc/09/60/62/750096062.db2.gz UDQXBLVOFDVMLN-OAGGEKHMSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077128087 750214628 /nfs/dbraw/zinc/21/46/28/750214628.db2.gz WMJJZARKICNVHH-BZUAXINKSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128087 750214633 /nfs/dbraw/zinc/21/46/33/750214633.db2.gz WMJJZARKICNVHH-BZUAXINKSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128087 750214637 /nfs/dbraw/zinc/21/46/37/750214637.db2.gz WMJJZARKICNVHH-BZUAXINKSA-N 2 1 307.438 0.149 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577514 751193432 /nfs/dbraw/zinc/19/34/32/751193432.db2.gz LBXHBWZODFFFTE-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577514 751193437 /nfs/dbraw/zinc/19/34/37/751193437.db2.gz LBXHBWZODFFFTE-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106578083 751194420 /nfs/dbraw/zinc/19/44/20/751194420.db2.gz ZQCILAOUGCPLPH-BZUAXINKSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106578083 751194424 /nfs/dbraw/zinc/19/44/24/751194424.db2.gz ZQCILAOUGCPLPH-BZUAXINKSA-N 2 1 307.438 0.413 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001089907798 752587747 /nfs/dbraw/zinc/58/77/47/752587747.db2.gz OMCNPFURBWUFHQ-QAETUUGQSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001089907798 752587755 /nfs/dbraw/zinc/58/77/55/752587755.db2.gz OMCNPFURBWUFHQ-QAETUUGQSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967461 753155712 /nfs/dbraw/zinc/15/57/12/753155712.db2.gz DOEMJVVACBTVLQ-HZPDHXFCSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967461 753155717 /nfs/dbraw/zinc/15/57/17/753155717.db2.gz DOEMJVVACBTVLQ-HZPDHXFCSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967461 753155721 /nfs/dbraw/zinc/15/57/21/753155721.db2.gz DOEMJVVACBTVLQ-HZPDHXFCSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064135 753457474 /nfs/dbraw/zinc/45/74/74/753457474.db2.gz GFDQAQDAEVALKR-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064135 753457476 /nfs/dbraw/zinc/45/74/76/753457476.db2.gz GFDQAQDAEVALKR-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064135 753457478 /nfs/dbraw/zinc/45/74/78/753457478.db2.gz GFDQAQDAEVALKR-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064484 753458786 /nfs/dbraw/zinc/45/87/86/753458786.db2.gz OHQUCMKJEBXJAM-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064484 753458791 /nfs/dbraw/zinc/45/87/91/753458791.db2.gz OHQUCMKJEBXJAM-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064484 753458794 /nfs/dbraw/zinc/45/87/94/753458794.db2.gz OHQUCMKJEBXJAM-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047382176 754230185 /nfs/dbraw/zinc/23/01/85/754230185.db2.gz XRAZZCJGSFVBGH-ULQDDVLXSA-N 2 1 321.465 0.798 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047529174 754364153 /nfs/dbraw/zinc/36/41/53/754364153.db2.gz SRJPDKHSAJQQQO-GJZGRUSLSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047529174 754364161 /nfs/dbraw/zinc/36/41/61/754364161.db2.gz SRJPDKHSAJQQQO-GJZGRUSLSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047529174 754364165 /nfs/dbraw/zinc/36/41/65/754364165.db2.gz SRJPDKHSAJQQQO-GJZGRUSLSA-N 2 1 307.438 0.245 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047583715 754410079 /nfs/dbraw/zinc/41/00/79/754410079.db2.gz GGKSFLOXAVODJQ-HOTGVXAUSA-N 2 1 309.454 0.796 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047583715 754410084 /nfs/dbraw/zinc/41/00/84/754410084.db2.gz GGKSFLOXAVODJQ-HOTGVXAUSA-N 2 1 309.454 0.796 20 30 DCEDMP C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466672 762305724 /nfs/dbraw/zinc/30/57/24/762305724.db2.gz RFRWMIYSNUZIFR-UHFFFAOYSA-N 2 1 317.861 0.976 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216302 755187366 /nfs/dbraw/zinc/18/73/66/755187366.db2.gz YFDQKEWSWHZFPK-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081979518 756891441 /nfs/dbraw/zinc/89/14/41/756891441.db2.gz BKIOTWAKJJOQCO-BRWVUGGUSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC001084088069 757668160 /nfs/dbraw/zinc/66/81/60/757668160.db2.gz OLYMIYVOJDCHFG-CVEARBPZSA-N 2 1 305.422 0.069 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2O)CC1 ZINC001084088068 757668482 /nfs/dbraw/zinc/66/84/82/757668482.db2.gz OLVSCRZPPAVGOW-SJORKVTESA-N 2 1 319.449 0.293 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001084910869 758119333 /nfs/dbraw/zinc/11/93/33/758119333.db2.gz FTIGEANSFJQXOZ-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084910869 758119343 /nfs/dbraw/zinc/11/93/43/758119343.db2.gz FTIGEANSFJQXOZ-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084910869 758119351 /nfs/dbraw/zinc/11/93/51/758119351.db2.gz FTIGEANSFJQXOZ-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910869 758119357 /nfs/dbraw/zinc/11/93/57/758119357.db2.gz FTIGEANSFJQXOZ-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910869 758119365 /nfs/dbraw/zinc/11/93/65/758119365.db2.gz FTIGEANSFJQXOZ-PMPSAXMXSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@@H]21 ZINC001085016913 758169066 /nfs/dbraw/zinc/16/90/66/758169066.db2.gz VOUIFWSOCMBIMF-IKGGRYGDSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016913 758169071 /nfs/dbraw/zinc/16/90/71/758169071.db2.gz VOUIFWSOCMBIMF-IKGGRYGDSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016913 758169073 /nfs/dbraw/zinc/16/90/73/758169073.db2.gz VOUIFWSOCMBIMF-IKGGRYGDSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016913 758169082 /nfs/dbraw/zinc/16/90/82/758169082.db2.gz VOUIFWSOCMBIMF-IKGGRYGDSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CC(C)C)CC1 ZINC001051254805 758549219 /nfs/dbraw/zinc/54/92/19/758549219.db2.gz MARKHZKJVJDJPA-QGZVFWFLSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CC(C)C)CC1 ZINC001051254805 758549224 /nfs/dbraw/zinc/54/92/24/758549224.db2.gz MARKHZKJVJDJPA-QGZVFWFLSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)O)CC1 ZINC001098462904 762677065 /nfs/dbraw/zinc/67/70/65/762677065.db2.gz UMHWMOCFXOYSEW-SVGFKBNWSA-N 2 1 319.449 0.434 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098393610 759299945 /nfs/dbraw/zinc/29/99/45/759299945.db2.gz HAULYSSNLJQMDZ-UHFFFAOYSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001098393610 759299951 /nfs/dbraw/zinc/29/99/51/759299951.db2.gz HAULYSSNLJQMDZ-UHFFFAOYSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001098393610 759299958 /nfs/dbraw/zinc/29/99/58/759299958.db2.gz HAULYSSNLJQMDZ-UHFFFAOYSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086152293 759771591 /nfs/dbraw/zinc/77/15/91/759771591.db2.gz AAYGSDSLKVUAEJ-FWPNWONVSA-N 2 1 305.422 0.520 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100109674 760297936 /nfs/dbraw/zinc/29/79/36/760297936.db2.gz IQIGYNXSLDXLMY-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100109674 760297945 /nfs/dbraw/zinc/29/79/45/760297945.db2.gz IQIGYNXSLDXLMY-HUUCEWRRSA-N 2 1 306.410 0.709 20 30 DCEDMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC#CCOC)C2)[NH+](C)C ZINC001148292602 767960551 /nfs/dbraw/zinc/96/05/51/767960551.db2.gz MKGRHQRHEGNCLO-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001108775593 761041857 /nfs/dbraw/zinc/04/18/57/761041857.db2.gz DIFMGZGEJWHNIT-ULQDDVLXSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241431 761732690 /nfs/dbraw/zinc/73/26/90/761732690.db2.gz UYWZRAXDPRITNK-RDJZCZTQSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101662 762857523 /nfs/dbraw/zinc/85/75/23/762857523.db2.gz ZCNHDRVUUVSJBS-FZKCQIBNSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101662 762857534 /nfs/dbraw/zinc/85/75/34/762857534.db2.gz ZCNHDRVUUVSJBS-FZKCQIBNSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101662 762857541 /nfs/dbraw/zinc/85/75/41/762857541.db2.gz ZCNHDRVUUVSJBS-FZKCQIBNSA-N 2 1 307.438 0.862 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001114263320 762908319 /nfs/dbraw/zinc/90/83/19/762908319.db2.gz SWHYOANBSIDEEV-VVLHAWIVSA-N 2 1 319.449 0.555 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001114263320 762908325 /nfs/dbraw/zinc/90/83/25/762908325.db2.gz SWHYOANBSIDEEV-VVLHAWIVSA-N 2 1 319.449 0.555 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001114263320 762908331 /nfs/dbraw/zinc/90/83/31/762908331.db2.gz SWHYOANBSIDEEV-VVLHAWIVSA-N 2 1 319.449 0.555 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291073 762923534 /nfs/dbraw/zinc/92/35/34/762923534.db2.gz RTRWHKHVBFQROB-NCOADZHNSA-N 2 1 317.433 0.024 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOCC=C)C1 ZINC001100415470 763564563 /nfs/dbraw/zinc/56/45/63/763564563.db2.gz SJSFXRUOTIYYBC-JCYILVPMSA-N 2 1 319.449 0.771 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOCC=C)C1 ZINC001100415470 763564568 /nfs/dbraw/zinc/56/45/68/763564568.db2.gz SJSFXRUOTIYYBC-JCYILVPMSA-N 2 1 319.449 0.771 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171895 764001624 /nfs/dbraw/zinc/00/16/24/764001624.db2.gz PBDMACJIUWGXQG-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171895 764001633 /nfs/dbraw/zinc/00/16/33/764001633.db2.gz PBDMACJIUWGXQG-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171895 764001644 /nfs/dbraw/zinc/00/16/44/764001644.db2.gz PBDMACJIUWGXQG-NUJGCVRESA-N 2 1 319.449 0.511 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477641 764083815 /nfs/dbraw/zinc/08/38/15/764083815.db2.gz CTIFIJMIJMDZBR-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001098477641 764083821 /nfs/dbraw/zinc/08/38/21/764083821.db2.gz CTIFIJMIJMDZBR-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001098477641 764083829 /nfs/dbraw/zinc/08/38/29/764083829.db2.gz CTIFIJMIJMDZBR-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269449 764346915 /nfs/dbraw/zinc/34/69/15/764346915.db2.gz KDEGYPKVPSFGOT-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269449 764346924 /nfs/dbraw/zinc/34/69/24/764346924.db2.gz KDEGYPKVPSFGOT-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112188838 765470682 /nfs/dbraw/zinc/47/06/82/765470682.db2.gz BIOGRPGSEARMOC-VXGBXAGGSA-N 2 1 305.344 0.940 20 30 DCEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291358 765494633 /nfs/dbraw/zinc/49/46/33/765494633.db2.gz HNAFBOCVUWZCNY-JZXOWHBKSA-N 2 1 319.449 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291358 765494636 /nfs/dbraw/zinc/49/46/36/765494636.db2.gz HNAFBOCVUWZCNY-JZXOWHBKSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546238 765756242 /nfs/dbraw/zinc/75/62/42/765756242.db2.gz HUDJELQEZWRWRS-JKSUJKDBSA-N 2 1 319.449 0.892 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976210 766197762 /nfs/dbraw/zinc/19/77/62/766197762.db2.gz HWSSNVSISJADCX-KBPBESRZSA-N 2 1 312.458 0.503 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090542224 766305496 /nfs/dbraw/zinc/30/54/96/766305496.db2.gz BOLBLPHPCKLTEE-HOTGVXAUSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090625292 766390432 /nfs/dbraw/zinc/39/04/32/766390432.db2.gz STENJQITZAIPCK-HZPDHXFCSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090672937 766455471 /nfs/dbraw/zinc/45/54/71/766455471.db2.gz HJRRHSUQXMMERJ-HZPDHXFCSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731830 766528481 /nfs/dbraw/zinc/52/84/81/766528481.db2.gz WYKMWYUQUFGUCG-LSDHHAIUSA-N 2 1 307.438 0.600 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090734303 766529956 /nfs/dbraw/zinc/52/99/56/766529956.db2.gz KKTBQZQKZXQZMH-GDBMZVCRSA-N 2 1 318.421 0.889 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090734303 766529960 /nfs/dbraw/zinc/52/99/60/766529960.db2.gz KKTBQZQKZXQZMH-GDBMZVCRSA-N 2 1 318.421 0.889 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120879537 767288718 /nfs/dbraw/zinc/28/87/18/767288718.db2.gz VUJKJUQFYNZNAU-UKEPKTAJSA-N 2 1 305.422 0.357 20 30 DCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120879537 767288720 /nfs/dbraw/zinc/28/87/20/767288720.db2.gz VUJKJUQFYNZNAU-UKEPKTAJSA-N 2 1 305.422 0.357 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC#CCOC)C2 ZINC001122023349 767699337 /nfs/dbraw/zinc/69/93/37/767699337.db2.gz OACJPMZJGFSVGX-UHFFFAOYSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855136 768885971 /nfs/dbraw/zinc/88/59/71/768885971.db2.gz VRPHSMMSEQOQDU-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855136 768885987 /nfs/dbraw/zinc/88/59/87/768885987.db2.gz VRPHSMMSEQOQDU-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855136 768886002 /nfs/dbraw/zinc/88/60/02/768886002.db2.gz VRPHSMMSEQOQDU-MRXNPFEDSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001094583296 769117162 /nfs/dbraw/zinc/11/71/62/769117162.db2.gz PODMHYVYTVYAOS-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001094583296 769117163 /nfs/dbraw/zinc/11/71/63/769117163.db2.gz PODMHYVYTVYAOS-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094583296 769117166 /nfs/dbraw/zinc/11/71/66/769117166.db2.gz PODMHYVYTVYAOS-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094583296 769117168 /nfs/dbraw/zinc/11/71/68/769117168.db2.gz PODMHYVYTVYAOS-JFIYKMOQSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCc2cncn2C)C1 ZINC001150654716 769150943 /nfs/dbraw/zinc/15/09/43/769150943.db2.gz ZLUSRXOWSMPQBI-OAHLLOKOSA-N 2 1 306.410 0.746 20 30 DCEDMP C=CCN1CCCO[C@H](CNC(=O)CCc2cncn2C)C1 ZINC001150654716 769150948 /nfs/dbraw/zinc/15/09/48/769150948.db2.gz ZLUSRXOWSMPQBI-OAHLLOKOSA-N 2 1 306.410 0.746 20 30 DCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073220 769252880 /nfs/dbraw/zinc/25/28/80/769252880.db2.gz GRLHSFWSJNLBLF-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153818894 769950367 /nfs/dbraw/zinc/95/03/67/769950367.db2.gz FEHYVACWRBBLGC-HZPDHXFCSA-N 2 1 319.453 0.663 20 30 DCEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153818894 769950364 /nfs/dbraw/zinc/95/03/64/769950364.db2.gz FEHYVACWRBBLGC-HZPDHXFCSA-N 2 1 319.453 0.663 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176992579 770282793 /nfs/dbraw/zinc/28/27/93/770282793.db2.gz UUUVVLMOIIBUEY-LSDHHAIUSA-N 2 1 324.469 0.647 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001183354009 771638122 /nfs/dbraw/zinc/63/81/22/771638122.db2.gz LQSSEZBHQGFSLJ-XHSDSOJGSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001183354009 771638125 /nfs/dbraw/zinc/63/81/25/771638125.db2.gz LQSSEZBHQGFSLJ-XHSDSOJGSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001157749202 771663067 /nfs/dbraw/zinc/66/30/67/771663067.db2.gz ZCCMQRLXZZLZHL-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158867015 771829478 /nfs/dbraw/zinc/82/94/78/771829478.db2.gz XYHCDWHJCKQHQC-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158867015 771829481 /nfs/dbraw/zinc/82/94/81/771829481.db2.gz XYHCDWHJCKQHQC-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158867015 771829484 /nfs/dbraw/zinc/82/94/84/771829484.db2.gz XYHCDWHJCKQHQC-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001184962109 771847335 /nfs/dbraw/zinc/84/73/35/771847335.db2.gz OXGOAXOGZDIMDO-ZNMIVQPWSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCCCO1 ZINC001160209153 772009237 /nfs/dbraw/zinc/00/92/37/772009237.db2.gz AMRRKFKKMLKODN-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCCCO1 ZINC001160209153 772009241 /nfs/dbraw/zinc/00/92/41/772009241.db2.gz AMRRKFKKMLKODN-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNc1cncc(N2CC[NH2+]CC2)n1 ZINC001160953559 772142150 /nfs/dbraw/zinc/14/21/50/772142150.db2.gz FKMRAPAFEDRTAM-AWEZNQCLSA-N 2 1 302.426 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(COC)CC[NH+](CC)CC1 ZINC001162306818 772357584 /nfs/dbraw/zinc/35/75/84/772357584.db2.gz WXWFPFXVCZTPTK-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(COC)CC[NH+](CC)CC1 ZINC001162306818 772357589 /nfs/dbraw/zinc/35/75/89/772357589.db2.gz WXWFPFXVCZTPTK-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515900 772487923 /nfs/dbraw/zinc/48/79/23/772487923.db2.gz CSQYRWVDPIJWRT-HUUCEWRRSA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515900 772487926 /nfs/dbraw/zinc/48/79/26/772487926.db2.gz CSQYRWVDPIJWRT-HUUCEWRRSA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515900 772487927 /nfs/dbraw/zinc/48/79/27/772487927.db2.gz CSQYRWVDPIJWRT-HUUCEWRRSA-N 2 1 311.426 0.052 20 30 DCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189515900 772487929 /nfs/dbraw/zinc/48/79/29/772487929.db2.gz CSQYRWVDPIJWRT-HUUCEWRRSA-N 2 1 311.426 0.052 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190363369 772622016 /nfs/dbraw/zinc/62/20/16/772622016.db2.gz IFGCIJTXIIXICU-JKSUJKDBSA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190363369 772622018 /nfs/dbraw/zinc/62/20/18/772622018.db2.gz IFGCIJTXIIXICU-JKSUJKDBSA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190363369 772622019 /nfs/dbraw/zinc/62/20/19/772622019.db2.gz IFGCIJTXIIXICU-JKSUJKDBSA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190363369 772622022 /nfs/dbraw/zinc/62/20/22/772622022.db2.gz IFGCIJTXIIXICU-JKSUJKDBSA-N 2 1 307.438 0.509 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191949203 772847736 /nfs/dbraw/zinc/84/77/36/772847736.db2.gz PJELKLOHRMEDEP-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191949203 772847739 /nfs/dbraw/zinc/84/77/39/772847739.db2.gz PJELKLOHRMEDEP-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191949203 772847742 /nfs/dbraw/zinc/84/77/42/772847742.db2.gz PJELKLOHRMEDEP-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191949203 772847746 /nfs/dbraw/zinc/84/77/46/772847746.db2.gz PJELKLOHRMEDEP-JKSUJKDBSA-N 2 1 307.438 0.652 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030574 772860387 /nfs/dbraw/zinc/86/03/87/772860387.db2.gz RUOAJTBERYHVND-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342913 772907288 /nfs/dbraw/zinc/90/72/88/772907288.db2.gz LPKWGBABHPGPMF-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001192342913 772907292 /nfs/dbraw/zinc/90/72/92/772907292.db2.gz LPKWGBABHPGPMF-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192342913 772907296 /nfs/dbraw/zinc/90/72/96/772907296.db2.gz LPKWGBABHPGPMF-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192353783 772909215 /nfs/dbraw/zinc/90/92/15/772909215.db2.gz HQVPQWLQJXWCGC-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192353783 772909218 /nfs/dbraw/zinc/90/92/18/772909218.db2.gz HQVPQWLQJXWCGC-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353783 772909220 /nfs/dbraw/zinc/90/92/20/772909220.db2.gz HQVPQWLQJXWCGC-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353783 772909223 /nfs/dbraw/zinc/90/92/23/772909223.db2.gz HQVPQWLQJXWCGC-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679859 772947594 /nfs/dbraw/zinc/94/75/94/772947594.db2.gz GOORJJGXBWNABI-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001205344191 772988138 /nfs/dbraw/zinc/98/81/38/772988138.db2.gz CKGZOKAJHLQXER-JKSUJKDBSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001207454471 773211898 /nfs/dbraw/zinc/21/18/98/773211898.db2.gz YALNJBRIFBCVKM-UKRRQHHQSA-N 2 1 306.410 0.981 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001207454471 773211901 /nfs/dbraw/zinc/21/19/01/773211901.db2.gz YALNJBRIFBCVKM-UKRRQHHQSA-N 2 1 306.410 0.981 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001207454471 773211902 /nfs/dbraw/zinc/21/19/02/773211902.db2.gz YALNJBRIFBCVKM-UKRRQHHQSA-N 2 1 306.410 0.981 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330394 773699247 /nfs/dbraw/zinc/69/92/47/773699247.db2.gz XGKNRYVGHCYLHW-HUUCEWRRSA-N 2 1 307.438 0.721 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674337 773728694 /nfs/dbraw/zinc/72/86/94/773728694.db2.gz SRCFUCPPBHJYOO-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211366465 773796406 /nfs/dbraw/zinc/79/64/06/773796406.db2.gz DHYUECPABAFKLI-QLFBSQMISA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211366465 773796407 /nfs/dbraw/zinc/79/64/07/773796407.db2.gz DHYUECPABAFKLI-QLFBSQMISA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366465 773796408 /nfs/dbraw/zinc/79/64/08/773796408.db2.gz DHYUECPABAFKLI-QLFBSQMISA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366465 773796410 /nfs/dbraw/zinc/79/64/10/773796410.db2.gz DHYUECPABAFKLI-QLFBSQMISA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097778 773853517 /nfs/dbraw/zinc/85/35/17/773853517.db2.gz HGSQXQMJXHEIIK-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097778 773853522 /nfs/dbraw/zinc/85/35/22/773853522.db2.gz HGSQXQMJXHEIIK-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097778 773853526 /nfs/dbraw/zinc/85/35/26/773853526.db2.gz HGSQXQMJXHEIIK-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198097778 773853533 /nfs/dbraw/zinc/85/35/33/773853533.db2.gz HGSQXQMJXHEIIK-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097778 773853538 /nfs/dbraw/zinc/85/35/38/773853538.db2.gz HGSQXQMJXHEIIK-GJZGRUSLSA-N 2 1 322.453 0.163 20 30 DCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004580 774346694 /nfs/dbraw/zinc/34/66/94/774346694.db2.gz NCFYXVLTUSNGBZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004580 774346701 /nfs/dbraw/zinc/34/67/01/774346701.db2.gz NCFYXVLTUSNGBZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004580 774346709 /nfs/dbraw/zinc/34/67/09/774346709.db2.gz NCFYXVLTUSNGBZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004580 774346716 /nfs/dbraw/zinc/34/67/16/774346716.db2.gz NCFYXVLTUSNGBZ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411771 775849487 /nfs/dbraw/zinc/84/94/87/775849487.db2.gz VOEMHHZRRICBED-FPCVCCKLSA-N 2 1 307.438 0.862 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229908049 776234493 /nfs/dbraw/zinc/23/44/93/776234493.db2.gz FQFGGRLQAVYNEV-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001229908049 776234497 /nfs/dbraw/zinc/23/44/97/776234497.db2.gz FQFGGRLQAVYNEV-AWEZNQCLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001277997229 945088778 /nfs/dbraw/zinc/08/87/78/945088778.db2.gz JPXPLXPZMFMBRU-CQSZACIVSA-N 2 1 319.409 0.074 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001278288259 945208415 /nfs/dbraw/zinc/20/84/15/945208415.db2.gz CAVHNYQEFKXUBM-HZPDHXFCSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001278288259 945208420 /nfs/dbraw/zinc/20/84/20/945208420.db2.gz CAVHNYQEFKXUBM-HZPDHXFCSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001266247018 939025558 /nfs/dbraw/zinc/02/55/58/939025558.db2.gz ACCHQLSASYIPOZ-QGZVFWFLSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001317955564 945221877 /nfs/dbraw/zinc/22/18/77/945221877.db2.gz SUUIYTLIMZPSGT-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266488415 939133223 /nfs/dbraw/zinc/13/32/23/939133223.db2.gz IYERTZGMEMZDDK-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266488415 939133226 /nfs/dbraw/zinc/13/32/26/939133226.db2.gz IYERTZGMEMZDDK-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266488415 939133228 /nfs/dbraw/zinc/13/32/28/939133228.db2.gz IYERTZGMEMZDDK-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266488415 939133231 /nfs/dbraw/zinc/13/32/31/939133231.db2.gz IYERTZGMEMZDDK-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266488415 939133233 /nfs/dbraw/zinc/13/32/33/939133233.db2.gz IYERTZGMEMZDDK-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001266601588 939176128 /nfs/dbraw/zinc/17/61/28/939176128.db2.gz HFWBCCNXPNQAPU-LUKYLMHMSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001267222848 939393526 /nfs/dbraw/zinc/39/35/26/939393526.db2.gz UEEQJTKAHUMYBD-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001267222848 939393529 /nfs/dbraw/zinc/39/35/29/939393529.db2.gz UEEQJTKAHUMYBD-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001267222851 939393886 /nfs/dbraw/zinc/39/38/86/939393886.db2.gz UEEQJTKAHUMYBD-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001267222851 939393891 /nfs/dbraw/zinc/39/38/91/939393891.db2.gz UEEQJTKAHUMYBD-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001267222849 939393988 /nfs/dbraw/zinc/39/39/88/939393988.db2.gz UEEQJTKAHUMYBD-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001267222849 939393990 /nfs/dbraw/zinc/39/39/90/939393990.db2.gz UEEQJTKAHUMYBD-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCOC)CC1 ZINC001267281066 939413607 /nfs/dbraw/zinc/41/36/07/939413607.db2.gz FTUADNWVCGHYNC-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267280330 939413623 /nfs/dbraw/zinc/41/36/23/939413623.db2.gz CBIWJWXAVZTLDH-GOEBONIOSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267280330 939413624 /nfs/dbraw/zinc/41/36/24/939413624.db2.gz CBIWJWXAVZTLDH-GOEBONIOSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001267491992 939476298 /nfs/dbraw/zinc/47/62/98/939476298.db2.gz CFQNXJJYMZFKPT-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N(CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480965030 939504497 /nfs/dbraw/zinc/50/44/97/939504497.db2.gz JXLAHOLZNRAYHP-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480965030 939504499 /nfs/dbraw/zinc/50/44/99/939504499.db2.gz JXLAHOLZNRAYHP-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480965030 939504500 /nfs/dbraw/zinc/50/45/00/939504500.db2.gz JXLAHOLZNRAYHP-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480965030 939504505 /nfs/dbraw/zinc/50/45/05/939504505.db2.gz JXLAHOLZNRAYHP-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001267633683 939603862 /nfs/dbraw/zinc/60/38/62/939603862.db2.gz KDQBBWDKDVXHDR-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001267633683 939603864 /nfs/dbraw/zinc/60/38/64/939603864.db2.gz KDQBBWDKDVXHDR-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001267633683 939603866 /nfs/dbraw/zinc/60/38/66/939603866.db2.gz KDQBBWDKDVXHDR-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001267633683 939603868 /nfs/dbraw/zinc/60/38/68/939603868.db2.gz KDQBBWDKDVXHDR-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)CNCc1ncccn1 ZINC001267988843 939722464 /nfs/dbraw/zinc/72/24/64/939722464.db2.gz APQCOKCRCIBTSQ-GJZGRUSLSA-N 2 1 315.421 0.416 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481538783 939926132 /nfs/dbraw/zinc/92/61/32/939926132.db2.gz SUUIYTLIMZPSGT-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001481971324 940198107 /nfs/dbraw/zinc/19/81/07/940198107.db2.gz FVHMUYKTXNQWMQ-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001481971324 940198110 /nfs/dbraw/zinc/19/81/10/940198110.db2.gz FVHMUYKTXNQWMQ-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268580030 940263888 /nfs/dbraw/zinc/26/38/88/940263888.db2.gz VMBZVQUXYSEMTG-BEWKBBBFSA-N 2 1 322.453 0.423 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)CC(=O)OCC ZINC001246003856 945312016 /nfs/dbraw/zinc/31/20/16/945312016.db2.gz VLUWOAFVSXYNLE-STQMWFEESA-N 2 1 316.398 0.117 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268749231 940350244 /nfs/dbraw/zinc/35/02/44/940350244.db2.gz SVFMTKFPNYALEL-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268749231 940350246 /nfs/dbraw/zinc/35/02/46/940350246.db2.gz SVFMTKFPNYALEL-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCC[NH+]1CC(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001268888470 940395942 /nfs/dbraw/zinc/39/59/42/940395942.db2.gz UXSVHUQQPGVUOO-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001270665344 940959692 /nfs/dbraw/zinc/95/96/92/940959692.db2.gz OQQXAHFNSIFXSJ-WMLDXEAASA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001270665344 940959697 /nfs/dbraw/zinc/95/96/97/940959697.db2.gz OQQXAHFNSIFXSJ-WMLDXEAASA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001270665344 940959699 /nfs/dbraw/zinc/95/96/99/940959699.db2.gz OQQXAHFNSIFXSJ-WMLDXEAASA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001270665344 940959701 /nfs/dbraw/zinc/95/97/01/940959701.db2.gz OQQXAHFNSIFXSJ-WMLDXEAASA-N 2 1 324.469 0.598 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001271763845 941446653 /nfs/dbraw/zinc/44/66/53/941446653.db2.gz DDCYEFBYULVSLY-BRWVUGGUSA-N 2 1 321.465 0.853 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001271763845 941446654 /nfs/dbraw/zinc/44/66/54/941446654.db2.gz DDCYEFBYULVSLY-BRWVUGGUSA-N 2 1 321.465 0.853 20 30 DCEDMP C[N@@H+](CC(=O)NCC[NH+]1CCC(NCC#N)CC1)C1CCC1 ZINC001271911741 941477442 /nfs/dbraw/zinc/47/74/42/941477442.db2.gz JXWIBWDMCWQMGX-UHFFFAOYSA-N 2 1 307.442 0.164 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001271972614 941496570 /nfs/dbraw/zinc/49/65/70/941496570.db2.gz CEXYWBDOPXSRRO-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001271972614 941496572 /nfs/dbraw/zinc/49/65/72/941496572.db2.gz CEXYWBDOPXSRRO-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271972614 941496576 /nfs/dbraw/zinc/49/65/76/941496576.db2.gz CEXYWBDOPXSRRO-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271972614 941496578 /nfs/dbraw/zinc/49/65/78/941496578.db2.gz CEXYWBDOPXSRRO-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001272033829 941536995 /nfs/dbraw/zinc/53/69/95/941536995.db2.gz XCLSVGKPGFCMIS-AWEZNQCLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001272033829 941536997 /nfs/dbraw/zinc/53/69/97/941536997.db2.gz XCLSVGKPGFCMIS-AWEZNQCLSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001482625302 941601403 /nfs/dbraw/zinc/60/14/03/941601403.db2.gz QQHFCPFXZAXSER-AWEZNQCLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001482625302 941601405 /nfs/dbraw/zinc/60/14/05/941601405.db2.gz QQHFCPFXZAXSER-AWEZNQCLSA-N 2 1 324.469 0.409 20 30 DCEDMP C#CCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594169 942028119 /nfs/dbraw/zinc/02/81/19/942028119.db2.gz PFOBKVGIRMQVJH-OAGGEKHMSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594169 942028124 /nfs/dbraw/zinc/02/81/24/942028124.db2.gz PFOBKVGIRMQVJH-OAGGEKHMSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594169 942028129 /nfs/dbraw/zinc/02/81/29/942028129.db2.gz PFOBKVGIRMQVJH-OAGGEKHMSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083594169 942028131 /nfs/dbraw/zinc/02/81/31/942028131.db2.gz PFOBKVGIRMQVJH-OAGGEKHMSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083594169 942028135 /nfs/dbraw/zinc/02/81/35/942028135.db2.gz PFOBKVGIRMQVJH-OAGGEKHMSA-N 2 1 307.438 0.291 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001484222601 943219289 /nfs/dbraw/zinc/21/92/89/943219289.db2.gz FGFQMWYJOSFBAG-INIZCTEOSA-N 2 1 322.409 0.479 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001484222601 943219293 /nfs/dbraw/zinc/21/92/93/943219293.db2.gz FGFQMWYJOSFBAG-INIZCTEOSA-N 2 1 322.409 0.479 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001484419597 943363694 /nfs/dbraw/zinc/36/36/94/943363694.db2.gz YNUWCQZXGWDASM-MRXNPFEDSA-N 2 1 321.469 0.555 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC=C)C1 ZINC001484842556 943591481 /nfs/dbraw/zinc/59/14/81/943591481.db2.gz VFKFZONAWMCQLU-DOTOQJQBSA-N 2 1 305.422 0.213 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC=C)C1 ZINC001484842556 943591486 /nfs/dbraw/zinc/59/14/86/943591486.db2.gz VFKFZONAWMCQLU-DOTOQJQBSA-N 2 1 305.422 0.213 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001484856115 943601853 /nfs/dbraw/zinc/60/18/53/943601853.db2.gz NYPQSYOFOUGSIQ-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001484959269 943637923 /nfs/dbraw/zinc/63/79/23/943637923.db2.gz NAIHYLDJOHYJCM-GJZGRUSLSA-N 2 1 307.438 0.293 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001484983308 943643497 /nfs/dbraw/zinc/64/34/97/943643497.db2.gz VRXGRWQUFVZOOR-HZPDHXFCSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491180116 943815824 /nfs/dbraw/zinc/81/58/24/943815824.db2.gz PBVOPDZVMKQDDG-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001491486273 944037088 /nfs/dbraw/zinc/03/70/88/944037088.db2.gz DMSCLYGSPSEARZ-KGLIPLIRSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001491486273 944037095 /nfs/dbraw/zinc/03/70/95/944037095.db2.gz DMSCLYGSPSEARZ-KGLIPLIRSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001272887244 944301889 /nfs/dbraw/zinc/30/18/89/944301889.db2.gz APZIYYVJFSIAKQ-SFHVURJKSA-N 2 1 319.449 0.512 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486133474 944588370 /nfs/dbraw/zinc/58/83/70/944588370.db2.gz COCKVOPZNQHBRL-KBPBESRZSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001277087908 944657176 /nfs/dbraw/zinc/65/71/76/944657176.db2.gz SVEMMDBYSDQKEY-KBUPBQIOSA-N 2 1 322.453 0.113 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317115668 944804474 /nfs/dbraw/zinc/80/44/74/944804474.db2.gz SZVIQPBTYNSWPZ-BETUJISGSA-N 2 1 320.393 0.236 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001317321534 944922094 /nfs/dbraw/zinc/92/20/94/944922094.db2.gz IEPQAWVRLGGTHC-IXDOHACOSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001281633757 944986177 /nfs/dbraw/zinc/98/61/77/944986177.db2.gz ABRVVSJBRZCROQ-INIZCTEOSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001318492185 945386346 /nfs/dbraw/zinc/38/63/46/945386346.db2.gz OJOSPIJANOYTDG-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001318492185 945386354 /nfs/dbraw/zinc/38/63/54/945386354.db2.gz OJOSPIJANOYTDG-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CC#CCOC ZINC001318529389 945393536 /nfs/dbraw/zinc/39/35/36/945393536.db2.gz KZAWOHZRUOAUFU-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCCC1 ZINC001318666198 945421297 /nfs/dbraw/zinc/42/12/97/945421297.db2.gz ITGIMCPBDLJNOY-UHFFFAOYSA-N 2 1 318.421 0.860 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCOC(C)C ZINC001319473932 945596941 /nfs/dbraw/zinc/59/69/41/945596941.db2.gz WCWRKKWIHWZYJO-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCOC(C)C ZINC001319473932 945596947 /nfs/dbraw/zinc/59/69/47/945596947.db2.gz WCWRKKWIHWZYJO-CVEARBPZSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001278599798 945676085 /nfs/dbraw/zinc/67/60/85/945676085.db2.gz BSKYCJIOAMTPLM-JKSUJKDBSA-N 2 1 307.438 0.607 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001278608356 945684938 /nfs/dbraw/zinc/68/49/38/945684938.db2.gz LADMAEUCAHNAFP-HOTGVXAUSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320275112 945797395 /nfs/dbraw/zinc/79/73/95/945797395.db2.gz SZZUMKYPHYMEBP-CZUORRHYSA-N 2 1 315.433 0.842 20 30 DCEDMP C=C[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001253578237 946136360 /nfs/dbraw/zinc/13/63/60/946136360.db2.gz XJWMVUSRNZHODH-HNNXBMFYSA-N 2 1 320.437 0.838 20 30 DCEDMP C=C[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001253578237 946136366 /nfs/dbraw/zinc/13/63/66/946136366.db2.gz XJWMVUSRNZHODH-HNNXBMFYSA-N 2 1 320.437 0.838 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001411059443 947285225 /nfs/dbraw/zinc/28/52/25/947285225.db2.gz MFLYZNTXDQFYQP-OLZOCXBDSA-N 2 1 303.834 0.632 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001324740062 947520988 /nfs/dbraw/zinc/52/09/88/947520988.db2.gz FRAZOXWFWRELKK-WMZOPIPTSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001324740062 947520996 /nfs/dbraw/zinc/52/09/96/947520996.db2.gz FRAZOXWFWRELKK-WMZOPIPTSA-N 2 1 301.434 0.936 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001324974547 947595637 /nfs/dbraw/zinc/59/56/37/947595637.db2.gz BCURXKWWMJEZDO-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001324974547 947595655 /nfs/dbraw/zinc/59/56/55/947595655.db2.gz BCURXKWWMJEZDO-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001324974547 947595666 /nfs/dbraw/zinc/59/56/66/947595666.db2.gz BCURXKWWMJEZDO-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001324974547 947595674 /nfs/dbraw/zinc/59/56/74/947595674.db2.gz BCURXKWWMJEZDO-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C1CCN(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001325805569 947929631 /nfs/dbraw/zinc/92/96/31/947929631.db2.gz NMVHJVYSGZBMEJ-UHFFFAOYSA-N 2 1 308.470 0.522 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325832119 947941161 /nfs/dbraw/zinc/94/11/61/947941161.db2.gz BCMQYPAGUXTULD-INMHGKMJSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325832119 947941165 /nfs/dbraw/zinc/94/11/65/947941165.db2.gz BCMQYPAGUXTULD-INMHGKMJSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325832119 947941169 /nfs/dbraw/zinc/94/11/69/947941169.db2.gz BCMQYPAGUXTULD-INMHGKMJSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325832118 947941763 /nfs/dbraw/zinc/94/17/63/947941763.db2.gz BCMQYPAGUXTULD-BFYDXBDKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325832118 947941766 /nfs/dbraw/zinc/94/17/66/947941766.db2.gz BCMQYPAGUXTULD-BFYDXBDKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325832118 947941773 /nfs/dbraw/zinc/94/17/73/947941773.db2.gz BCMQYPAGUXTULD-BFYDXBDKSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273542559 947949666 /nfs/dbraw/zinc/94/96/66/947949666.db2.gz XQZYHDAHAUNBLH-KRWDZBQOSA-N 2 1 307.438 0.512 20 30 DCEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001273862894 948639073 /nfs/dbraw/zinc/63/90/73/948639073.db2.gz CIBGBZWXJIMEPU-RBSFLKMASA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001273862894 948639078 /nfs/dbraw/zinc/63/90/78/948639078.db2.gz CIBGBZWXJIMEPU-RBSFLKMASA-N 2 1 309.454 0.987 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCCO1 ZINC001201545875 948670192 /nfs/dbraw/zinc/67/01/92/948670192.db2.gz DJYMRWYEONJUFU-OAHLLOKOSA-N 2 1 318.421 0.847 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1OCC ZINC001263966256 948820200 /nfs/dbraw/zinc/82/02/00/948820200.db2.gz ALOOGHJQADTOPT-BRWVUGGUSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264069851 948861403 /nfs/dbraw/zinc/86/14/03/948861403.db2.gz BSRLJHVSNXIYQV-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCO)C1 ZINC001264118865 948899289 /nfs/dbraw/zinc/89/92/89/948899289.db2.gz PIXCQWNRPJYQEJ-IRXDYDNUSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCO)C1 ZINC001264118865 948899304 /nfs/dbraw/zinc/89/93/04/948899304.db2.gz PIXCQWNRPJYQEJ-IRXDYDNUSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001264719141 949091693 /nfs/dbraw/zinc/09/16/93/949091693.db2.gz OAQQGRRVMMCQNV-RDBSUJKOSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001264719141 949091699 /nfs/dbraw/zinc/09/16/99/949091699.db2.gz OAQQGRRVMMCQNV-RDBSUJKOSA-N 2 1 310.442 0.208 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001489160577 949572222 /nfs/dbraw/zinc/57/22/22/949572222.db2.gz JZJSSFYOZYLWCG-IXDOHACOSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001489160577 949572235 /nfs/dbraw/zinc/57/22/35/949572235.db2.gz JZJSSFYOZYLWCG-IXDOHACOSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001489160577 949572248 /nfs/dbraw/zinc/57/22/48/949572248.db2.gz JZJSSFYOZYLWCG-IXDOHACOSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330359390 950304510 /nfs/dbraw/zinc/30/45/10/950304510.db2.gz HYSXYLJCWXRQHN-LUKYLMHMSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330359390 950304527 /nfs/dbraw/zinc/30/45/27/950304527.db2.gz HYSXYLJCWXRQHN-LUKYLMHMSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330359390 950304546 /nfs/dbraw/zinc/30/45/46/950304546.db2.gz HYSXYLJCWXRQHN-LUKYLMHMSA-N 2 1 321.465 0.825 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)CCCCN2CCOCC2)CC1 ZINC001279654137 950653619 /nfs/dbraw/zinc/65/36/19/950653619.db2.gz RIACLXJZDWZJAD-UHFFFAOYSA-N 2 1 319.449 0.870 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001279654137 950653654 /nfs/dbraw/zinc/65/36/54/950653654.db2.gz RIACLXJZDWZJAD-UHFFFAOYSA-N 2 1 319.449 0.870 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001280584254 950969566 /nfs/dbraw/zinc/96/95/66/950969566.db2.gz RMHAAPZDVDYKDQ-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001331504492 951146859 /nfs/dbraw/zinc/14/68/59/951146859.db2.gz OWCGCTKYEPNGIS-JSGCOSHPSA-N 2 1 321.425 0.319 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001331629467 951205762 /nfs/dbraw/zinc/20/57/62/951205762.db2.gz CGOGZPNHYPWSFQ-QWHCGFSZSA-N 2 1 321.425 0.319 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#CCOC)[C@@H](C)C1 ZINC001281687374 951599950 /nfs/dbraw/zinc/59/99/50/951599950.db2.gz XOWFEDFQCFVJTN-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#CCOC)[C@@H](C)C1 ZINC001281687374 951599959 /nfs/dbraw/zinc/59/99/59/951599959.db2.gz XOWFEDFQCFVJTN-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#CCOC)[C@@H](C)C1 ZINC001281687374 951599965 /nfs/dbraw/zinc/59/99/65/951599965.db2.gz XOWFEDFQCFVJTN-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001332517378 951677853 /nfs/dbraw/zinc/67/78/53/951677853.db2.gz PUOZYHCGSNQTCK-HNNXBMFYSA-N 2 1 309.458 0.541 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001332665465 951754867 /nfs/dbraw/zinc/75/48/67/951754867.db2.gz SPSVTHSDDOLMOV-CVEARBPZSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001332665465 951754874 /nfs/dbraw/zinc/75/48/74/951754874.db2.gz SPSVTHSDDOLMOV-CVEARBPZSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001332665465 951754876 /nfs/dbraw/zinc/75/48/76/951754876.db2.gz SPSVTHSDDOLMOV-CVEARBPZSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001332665466 951754968 /nfs/dbraw/zinc/75/49/68/951754968.db2.gz SPSVTHSDDOLMOV-HOTGVXAUSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001332665466 951754973 /nfs/dbraw/zinc/75/49/73/951754973.db2.gz SPSVTHSDDOLMOV-HOTGVXAUSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001332665466 951754981 /nfs/dbraw/zinc/75/49/81/951754981.db2.gz SPSVTHSDDOLMOV-HOTGVXAUSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001333222075 951963036 /nfs/dbraw/zinc/96/30/36/951963036.db2.gz DKJURTSZNZLURC-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001333222076 951963196 /nfs/dbraw/zinc/96/31/96/951963196.db2.gz DKJURTSZNZLURC-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001280793459 953040215 /nfs/dbraw/zinc/04/02/15/953040215.db2.gz KUZRCPRFIVLJIH-CABCVRRESA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC001341662448 953243536 /nfs/dbraw/zinc/24/35/36/953243536.db2.gz LVESJRULFGPXPF-UHFFFAOYSA-N 2 1 301.390 0.805 20 30 DCEDMP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001281816590 953376175 /nfs/dbraw/zinc/37/61/75/953376175.db2.gz IBECUOSDHFRYHQ-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001281965241 953434145 /nfs/dbraw/zinc/43/41/45/953434145.db2.gz PPXSDEXYDNJLRA-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001282193429 953520559 /nfs/dbraw/zinc/52/05/59/953520559.db2.gz QQPXTMTYAYTRTD-KGLIPLIRSA-N 2 1 324.469 0.197 20 30 DCEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)CN1CC[NH+](C)CC1 ZINC001346492061 953900566 /nfs/dbraw/zinc/90/05/66/953900566.db2.gz FPTZWQIOSQRFNK-LSDHHAIUSA-N 2 1 309.458 0.397 20 30 DCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284492769 955126806 /nfs/dbraw/zinc/12/68/06/955126806.db2.gz MJPMLVUTNMCCCA-JKSUJKDBSA-N 2 1 309.454 0.655 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001298629995 958669202 /nfs/dbraw/zinc/66/92/02/958669202.db2.gz XYVCBRZXYBGTHX-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001298629995 958669212 /nfs/dbraw/zinc/66/92/12/958669212.db2.gz XYVCBRZXYBGTHX-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001298629995 958669217 /nfs/dbraw/zinc/66/92/17/958669217.db2.gz XYVCBRZXYBGTHX-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001298629995 958669226 /nfs/dbraw/zinc/66/92/26/958669226.db2.gz XYVCBRZXYBGTHX-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001316796966 960380111 /nfs/dbraw/zinc/38/01/11/960380111.db2.gz XRSFYHKVNPDPOI-KFWWJZLASA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001316796966 960380120 /nfs/dbraw/zinc/38/01/20/960380120.db2.gz XRSFYHKVNPDPOI-KFWWJZLASA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001316796966 960380127 /nfs/dbraw/zinc/38/01/27/960380127.db2.gz XRSFYHKVNPDPOI-KFWWJZLASA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001316796966 960380136 /nfs/dbraw/zinc/38/01/36/960380136.db2.gz XRSFYHKVNPDPOI-KFWWJZLASA-N 2 1 322.453 0.209 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001374624637 965657735 /nfs/dbraw/zinc/65/77/35/965657735.db2.gz OVVPLTBPSACXDG-UONOGXRCSA-N 2 1 317.861 0.926 20 30 DCEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2C#N)C1 ZINC001448948011 1014104930 /nfs/dbraw/zinc/10/49/30/1014104930.db2.gz DGDJNKZYYQASIP-HZPDHXFCSA-N 2 1 316.405 0.077 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2C#N)C1 ZINC001448948011 1014104931 /nfs/dbraw/zinc/10/49/31/1014104931.db2.gz DGDJNKZYYQASIP-HZPDHXFCSA-N 2 1 316.405 0.077 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001507091631 1015976520 /nfs/dbraw/zinc/97/65/20/1015976520.db2.gz FXUMEQFBIAEMMT-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001507232880 1016156639 /nfs/dbraw/zinc/15/66/39/1016156639.db2.gz OASHWCPINMUUEM-KBPBESRZSA-N 2 1 306.410 0.397 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]C/C=C\Cl ZINC001507484964 1016395740 /nfs/dbraw/zinc/39/57/40/1016395740.db2.gz NXPUBYFFYBCRBM-RKWPFYGESA-N 2 1 313.829 0.245 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]C/C=C\Cl ZINC001507484964 1016395750 /nfs/dbraw/zinc/39/57/50/1016395750.db2.gz NXPUBYFFYBCRBM-RKWPFYGESA-N 2 1 313.829 0.245 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001507528673 1016445150 /nfs/dbraw/zinc/44/51/50/1016445150.db2.gz JCPJFULVGAHRBM-SJORKVTESA-N 2 1 317.433 0.722 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001439890510 1007287670 /nfs/dbraw/zinc/28/76/70/1007287670.db2.gz SYXYERDGPLRZQG-ZFWWWQNUSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001439890510 1007287680 /nfs/dbraw/zinc/28/76/80/1007287680.db2.gz SYXYERDGPLRZQG-ZFWWWQNUSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001439890502 1007288284 /nfs/dbraw/zinc/28/82/84/1007288284.db2.gz SYXYERDGPLRZQG-DZGCQCFKSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001439890502 1007288289 /nfs/dbraw/zinc/28/82/89/1007288289.db2.gz SYXYERDGPLRZQG-DZGCQCFKSA-N 2 1 315.845 0.898 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C#N ZINC001445267184 1011597581 /nfs/dbraw/zinc/59/75/81/1011597581.db2.gz LRYLPQWDQVADAA-MRXNPFEDSA-N 2 1 318.421 0.465 20 30 DCEDMP C=CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001479770961 1017730800 /nfs/dbraw/zinc/73/08/00/1017730800.db2.gz KTVUNQMUORGZEQ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001479770961 1017730810 /nfs/dbraw/zinc/73/08/10/1017730810.db2.gz KTVUNQMUORGZEQ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001479770961 1017730819 /nfs/dbraw/zinc/73/08/19/1017730819.db2.gz KTVUNQMUORGZEQ-ZIAGYGMSSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001479894840 1017940084 /nfs/dbraw/zinc/94/00/84/1017940084.db2.gz GVBSLLRUYYWCPK-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001479971137 1018074177 /nfs/dbraw/zinc/07/41/77/1018074177.db2.gz IHUNBMURFKPUHR-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001479971137 1018074187 /nfs/dbraw/zinc/07/41/87/1018074187.db2.gz IHUNBMURFKPUHR-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001479971137 1018074200 /nfs/dbraw/zinc/07/42/00/1018074200.db2.gz IHUNBMURFKPUHR-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001479971137 1018074215 /nfs/dbraw/zinc/07/42/15/1018074215.db2.gz IHUNBMURFKPUHR-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001499954902 1018149543 /nfs/dbraw/zinc/14/95/43/1018149543.db2.gz JQBOCNOBGYMJOM-CQSZACIVSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480168159 1018275741 /nfs/dbraw/zinc/27/57/41/1018275741.db2.gz YADJUPOYTRPPDA-XGUBFFRZSA-N 2 1 322.453 0.256 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500254753 1018350175 /nfs/dbraw/zinc/35/01/75/1018350175.db2.gz WXONXORXUBPQMR-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500254753 1018350188 /nfs/dbraw/zinc/35/01/88/1018350188.db2.gz WXONXORXUBPQMR-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001500695180 1018583966 /nfs/dbraw/zinc/58/39/66/1018583966.db2.gz HDNYGPNLCAQNDT-AEFFLSMTSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001500695180 1018583970 /nfs/dbraw/zinc/58/39/70/1018583970.db2.gz HDNYGPNLCAQNDT-AEFFLSMTSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001500695180 1018583978 /nfs/dbraw/zinc/58/39/78/1018583978.db2.gz HDNYGPNLCAQNDT-AEFFLSMTSA-N 2 1 321.465 0.683 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001500718718 1018607776 /nfs/dbraw/zinc/60/77/76/1018607776.db2.gz XLSNIRUDGRWQQJ-CQSZACIVSA-N 2 1 303.834 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001500718718 1018607785 /nfs/dbraw/zinc/60/77/85/1018607785.db2.gz XLSNIRUDGRWQQJ-CQSZACIVSA-N 2 1 303.834 0.634 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001500740721 1018621167 /nfs/dbraw/zinc/62/11/67/1018621167.db2.gz QOECXPWMOAISRU-MRXNPFEDSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001500740721 1018621170 /nfs/dbraw/zinc/62/11/70/1018621170.db2.gz QOECXPWMOAISRU-MRXNPFEDSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001501139574 1018916045 /nfs/dbraw/zinc/91/60/45/1018916045.db2.gz KQJCVNWPVLNECZ-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001501307601 1019034562 /nfs/dbraw/zinc/03/45/62/1019034562.db2.gz KXLZTSDJMSMSLN-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001501307601 1019034586 /nfs/dbraw/zinc/03/45/86/1019034586.db2.gz KXLZTSDJMSMSLN-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001501307601 1019034591 /nfs/dbraw/zinc/03/45/91/1019034591.db2.gz KXLZTSDJMSMSLN-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001501307601 1019034605 /nfs/dbraw/zinc/03/46/05/1019034605.db2.gz KXLZTSDJMSMSLN-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501365208 1019098762 /nfs/dbraw/zinc/09/87/62/1019098762.db2.gz XIZOIGWCNGWXTH-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501365208 1019098778 /nfs/dbraw/zinc/09/87/78/1019098778.db2.gz XIZOIGWCNGWXTH-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501365208 1019098792 /nfs/dbraw/zinc/09/87/92/1019098792.db2.gz XIZOIGWCNGWXTH-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001493253611 1019256533 /nfs/dbraw/zinc/25/65/33/1019256533.db2.gz CZEZNHUAABOAMB-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001493726194 1019663038 /nfs/dbraw/zinc/66/30/38/1019663038.db2.gz QZHPPXRREVOAEZ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001502246255 1019807247 /nfs/dbraw/zinc/80/72/47/1019807247.db2.gz QDGHZOBQIANMBX-UHFFFAOYSA-N 2 1 319.453 0.862 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494172247 1020039391 /nfs/dbraw/zinc/03/93/91/1020039391.db2.gz NRVPJQHQOGXYIN-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329429619 416170008 /nfs/dbraw/zinc/17/00/08/416170008.db2.gz HXVQZSOAJVYVKR-HNNXBMFYSA-N 2 1 311.474 0.609 20 30 DCEDMP C[C@@H]1C[C@H](CO)C[NH+](CC#CC[N@H+]2C[C@@H](C)C[C@H](CO)C2)C1 ZINC000420953875 416419736 /nfs/dbraw/zinc/41/97/36/416419736.db2.gz YYCXJPSAWJJUEV-MHORFTMASA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1C[C@H](CO)C[N@H+](CC#CC[NH+]2C[C@@H](C)C[C@H](CO)C2)C1 ZINC000420953875 416419737 /nfs/dbraw/zinc/41/97/37/416419737.db2.gz YYCXJPSAWJJUEV-MHORFTMASA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1C[C@H](CO)C[N@@H+](CC#CC[NH+]2C[C@@H](C)C[C@H](CO)C2)C1 ZINC000420953875 416419738 /nfs/dbraw/zinc/41/97/38/416419738.db2.gz YYCXJPSAWJJUEV-MHORFTMASA-N 2 1 308.466 0.890 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000491709816 416618598 /nfs/dbraw/zinc/61/85/98/416618598.db2.gz XINAWWKCQVLFPM-CVEARBPZSA-N 2 1 306.454 0.973 20 30 DCEDMP C#CCNC(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000491812420 416632429 /nfs/dbraw/zinc/63/24/29/416632429.db2.gz FGXVUNUBFHZOFL-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP C[NH+](C[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)C1CC1 ZINC000515095272 416691672 /nfs/dbraw/zinc/69/16/72/416691672.db2.gz GLJOILXMMAFYOK-LBPRGKRZSA-N 2 1 306.414 0.183 20 30 DCEDMP C[NH+](C[C@@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)C1CC1 ZINC000515095272 416691679 /nfs/dbraw/zinc/69/16/79/416691679.db2.gz GLJOILXMMAFYOK-LBPRGKRZSA-N 2 1 306.414 0.183 20 30 DCEDMP C[NH+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)C[N@H+](C)C1CC1 ZINC000515095272 416691682 /nfs/dbraw/zinc/69/16/82/416691682.db2.gz GLJOILXMMAFYOK-LBPRGKRZSA-N 2 1 306.414 0.183 20 30 DCEDMP C[NH+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000515095272 416691687 /nfs/dbraw/zinc/69/16/87/416691687.db2.gz GLJOILXMMAFYOK-LBPRGKRZSA-N 2 1 306.414 0.183 20 30 DCEDMP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1CCOC ZINC000565037177 416912508 /nfs/dbraw/zinc/91/25/08/416912508.db2.gz GHZGBHRSJPMTHN-HUUCEWRRSA-N 2 1 310.442 0.967 20 30 DCEDMP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1CCOC ZINC000565037177 416912516 /nfs/dbraw/zinc/91/25/16/416912516.db2.gz GHZGBHRSJPMTHN-HUUCEWRRSA-N 2 1 310.442 0.967 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000491475140 333104394 /nfs/dbraw/zinc/10/43/94/333104394.db2.gz UBGIKXLZBGTXOU-MRXNPFEDSA-N 2 1 307.438 0.295 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cn2c(n1)SCC2 ZINC000274346761 334060281 /nfs/dbraw/zinc/06/02/81/334060281.db2.gz QXWBWLJYAWDHJG-CYBMUJFWSA-N 2 1 322.482 0.920 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001567419959 1160358687 /nfs/dbraw/zinc/35/86/87/1160358687.db2.gz YNVIXPGHHQXONO-CQSZACIVSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001567419959 1160358694 /nfs/dbraw/zinc/35/86/94/1160358694.db2.gz YNVIXPGHHQXONO-CQSZACIVSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001567419959 1160358699 /nfs/dbraw/zinc/35/86/99/1160358699.db2.gz YNVIXPGHHQXONO-CQSZACIVSA-N 2 1 310.442 0.067 20 30 DCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N[C@H]1CCN(C2CC2)C1 ZINC000262736292 526356797 /nfs/dbraw/zinc/35/67/97/526356797.db2.gz CPIQUOXAFPPVRG-HNNXBMFYSA-N 2 1 322.501 0.026 20 30 DCEDMP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000262736292 526356803 /nfs/dbraw/zinc/35/68/03/526356803.db2.gz CPIQUOXAFPPVRG-HNNXBMFYSA-N 3 1 322.501 0.026 20 30 DCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000262736292 526356808 /nfs/dbraw/zinc/35/68/08/526356808.db2.gz CPIQUOXAFPPVRG-HNNXBMFYSA-N 3 1 322.501 0.026 20 30 DCEDMP C[NH+]=C(NCCN1CCC[NH+](C)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262736292 526356813 /nfs/dbraw/zinc/35/68/13/526356813.db2.gz CPIQUOXAFPPVRG-HNNXBMFYSA-N 3 1 322.501 0.026 20 30 DCEDMP C[NH+]=C(NCCN1CCC[NH+](C)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262736292 526356819 /nfs/dbraw/zinc/35/68/19/526356819.db2.gz CPIQUOXAFPPVRG-HNNXBMFYSA-N 3 1 322.501 0.026 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261730105 526371842 /nfs/dbraw/zinc/37/18/42/526371842.db2.gz LKNDXXFSROPRTQ-JKSUJKDBSA-N 2 1 323.485 0.168 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261730105 526371847 /nfs/dbraw/zinc/37/18/47/526371847.db2.gz LKNDXXFSROPRTQ-JKSUJKDBSA-N 3 1 323.485 0.168 20 30 DCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261730105 526371852 /nfs/dbraw/zinc/37/18/52/526371852.db2.gz LKNDXXFSROPRTQ-JKSUJKDBSA-N 3 1 323.485 0.168 20 30 DCEDMP CCC[N@@H+](CC)CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000266993644 527963845 /nfs/dbraw/zinc/96/38/45/527963845.db2.gz WGLHNLLPFJUVQU-UHFFFAOYSA-N 2 1 319.457 0.645 20 30 DCEDMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001665737500 1174559053 /nfs/dbraw/zinc/55/90/53/1174559053.db2.gz JVBZGFVDHPUKSO-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001665737500 1174559062 /nfs/dbraw/zinc/55/90/62/1174559062.db2.gz JVBZGFVDHPUKSO-HOTGVXAUSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001671437097 1175011959 /nfs/dbraw/zinc/01/19/59/1175011959.db2.gz JENPHRPDBAURDF-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001022221330 657567932 /nfs/dbraw/zinc/56/79/32/657567932.db2.gz CGEQHLBIIWVEFR-BBWFWOEESA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001022221330 657567937 /nfs/dbraw/zinc/56/79/37/657567937.db2.gz CGEQHLBIIWVEFR-BBWFWOEESA-N 2 1 319.449 0.747 20 30 DCEDMP COCCC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC1 ZINC000156944600 657583804 /nfs/dbraw/zinc/58/38/04/657583804.db2.gz NDMBRNIJGWUKLM-UHFFFAOYSA-N 2 1 312.458 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023499751 657934868 /nfs/dbraw/zinc/93/48/68/657934868.db2.gz GIJKMXXEOWXXBG-CTMQZQKCSA-N 2 1 317.433 0.311 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CC)CCO2 ZINC000949385848 657966321 /nfs/dbraw/zinc/96/63/21/657966321.db2.gz DNPHECZSUVQJSP-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CC)CCO2 ZINC000949385848 657966329 /nfs/dbraw/zinc/96/63/29/657966329.db2.gz DNPHECZSUVQJSP-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[NH+](CC)CCO2 ZINC000949385848 657966334 /nfs/dbraw/zinc/96/63/34/657966334.db2.gz DNPHECZSUVQJSP-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[NH+](CC)CCO2 ZINC000949385848 657966339 /nfs/dbraw/zinc/96/63/39/657966339.db2.gz DNPHECZSUVQJSP-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969687310 658080053 /nfs/dbraw/zinc/08/00/53/658080053.db2.gz MWQXNNKKPPBZOL-AWEZNQCLSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCOC)C2)CC1 ZINC001023762540 658217724 /nfs/dbraw/zinc/21/77/24/658217724.db2.gz ZEQIXEXDICAQTF-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCOC)C2)CC1 ZINC001023762539 658218130 /nfs/dbraw/zinc/21/81/30/658218130.db2.gz ZEQIXEXDICAQTF-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001023762330 658218274 /nfs/dbraw/zinc/21/82/74/658218274.db2.gz WQTMMXHDCZMGHN-MRXNPFEDSA-N 2 1 321.465 0.542 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674773 658226509 /nfs/dbraw/zinc/22/65/09/658226509.db2.gz SLGBUYCHFGFZGX-KRWDZBQOSA-N 2 1 307.438 0.962 20 30 DCEDMP C#CCN1CCOC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000949472447 658290850 /nfs/dbraw/zinc/29/08/50/658290850.db2.gz FYFJILFAHRSQES-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC[NH+]=C(NCC1(O)CCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000086535902 658355030 /nfs/dbraw/zinc/35/50/30/658355030.db2.gz QUYGPIFMVUUWRU-HNNXBMFYSA-N 2 1 324.469 0.521 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413479 658736933 /nfs/dbraw/zinc/73/69/33/658736933.db2.gz KRAVCTOVXNWURJ-WMZOPIPTSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413479 658736935 /nfs/dbraw/zinc/73/69/35/658736935.db2.gz KRAVCTOVXNWURJ-WMZOPIPTSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437415 658768163 /nfs/dbraw/zinc/76/81/63/658768163.db2.gz KBNBIPROOHMQJQ-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437415 658768166 /nfs/dbraw/zinc/76/81/66/658768166.db2.gz KBNBIPROOHMQJQ-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437415 658768171 /nfs/dbraw/zinc/76/81/71/658768171.db2.gz KBNBIPROOHMQJQ-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972437415 658768179 /nfs/dbraw/zinc/76/81/79/658768179.db2.gz KBNBIPROOHMQJQ-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999759100 665683699 /nfs/dbraw/zinc/68/36/99/665683699.db2.gz AFXWHUFGNZMQAX-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC[C@]2(CCOC2)C1 ZINC000262023247 661965155 /nfs/dbraw/zinc/96/51/55/661965155.db2.gz ZGETVGHRBQTPQD-KRWDZBQOSA-N 2 1 323.485 0.312 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000896487796 662274276 /nfs/dbraw/zinc/27/42/76/662274276.db2.gz CZFQRNFYPDSVKL-JYJNAYRXSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000896487796 662274279 /nfs/dbraw/zinc/27/42/79/662274279.db2.gz CZFQRNFYPDSVKL-JYJNAYRXSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000896487796 662274282 /nfs/dbraw/zinc/27/42/82/662274282.db2.gz CZFQRNFYPDSVKL-JYJNAYRXSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000896487796 662274283 /nfs/dbraw/zinc/27/42/83/662274283.db2.gz CZFQRNFYPDSVKL-JYJNAYRXSA-N 2 1 304.438 0.962 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000989672839 662971137 /nfs/dbraw/zinc/97/11/37/662971137.db2.gz AQPLGSCXLPWRGP-INIZCTEOSA-N 2 1 307.438 0.512 20 30 DCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000712432 665920480 /nfs/dbraw/zinc/92/04/80/665920480.db2.gz BBBWUACCYUNPDM-HZPDHXFCSA-N 2 1 305.422 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000712432 665920482 /nfs/dbraw/zinc/92/04/82/665920482.db2.gz BBBWUACCYUNPDM-HZPDHXFCSA-N 2 1 305.422 0.784 20 30 DCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000712432 665920485 /nfs/dbraw/zinc/92/04/85/665920485.db2.gz BBBWUACCYUNPDM-HZPDHXFCSA-N 2 1 305.422 0.784 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000714801 665920721 /nfs/dbraw/zinc/92/07/21/665920721.db2.gz NDNSZWCUEYSTSY-IRXDYDNUSA-N 2 1 317.433 0.621 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000714801 665920723 /nfs/dbraw/zinc/92/07/23/665920723.db2.gz NDNSZWCUEYSTSY-IRXDYDNUSA-N 2 1 317.433 0.621 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000714801 665920725 /nfs/dbraw/zinc/92/07/25/665920725.db2.gz NDNSZWCUEYSTSY-IRXDYDNUSA-N 2 1 317.433 0.621 20 30 DCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000716696 665920741 /nfs/dbraw/zinc/92/07/41/665920741.db2.gz YQXKPYKWVOXUNJ-DLBZAZTESA-N 2 1 317.433 0.621 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000716696 665920743 /nfs/dbraw/zinc/92/07/43/665920743.db2.gz YQXKPYKWVOXUNJ-DLBZAZTESA-N 2 1 317.433 0.621 20 30 DCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000716696 665920745 /nfs/dbraw/zinc/92/07/45/665920745.db2.gz YQXKPYKWVOXUNJ-DLBZAZTESA-N 2 1 317.433 0.621 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900674999 663270233 /nfs/dbraw/zinc/27/02/33/663270233.db2.gz NRRMMSMGQKQHLM-OAHLLOKOSA-N 2 1 308.470 0.779 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900674999 663270235 /nfs/dbraw/zinc/27/02/35/663270235.db2.gz NRRMMSMGQKQHLM-OAHLLOKOSA-N 3 1 308.470 0.779 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358279 664122116 /nfs/dbraw/zinc/12/21/16/664122116.db2.gz IODPUFQXLRFLQK-KCYZZUKISA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358279 664122117 /nfs/dbraw/zinc/12/21/17/664122117.db2.gz IODPUFQXLRFLQK-KCYZZUKISA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358279 664122118 /nfs/dbraw/zinc/12/21/18/664122118.db2.gz IODPUFQXLRFLQK-KCYZZUKISA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358279 664122121 /nfs/dbraw/zinc/12/21/21/664122121.db2.gz IODPUFQXLRFLQK-KCYZZUKISA-N 2 1 305.422 0.452 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(CC)CCO3)CCC[C@H]12 ZINC000992490147 664727210 /nfs/dbraw/zinc/72/72/10/664727210.db2.gz CMUQMNSQCUEMIA-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992490147 664727211 /nfs/dbraw/zinc/72/72/11/664727211.db2.gz CMUQMNSQCUEMIA-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992490147 664727212 /nfs/dbraw/zinc/72/72/12/664727212.db2.gz CMUQMNSQCUEMIA-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992490147 664727214 /nfs/dbraw/zinc/72/72/14/664727214.db2.gz CMUQMNSQCUEMIA-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992490147 664727215 /nfs/dbraw/zinc/72/72/15/664727215.db2.gz CMUQMNSQCUEMIA-XYJFISCASA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993361023 664947087 /nfs/dbraw/zinc/94/70/87/664947087.db2.gz GNILLYQOCSDXGE-HUUCEWRRSA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993361023 664947088 /nfs/dbraw/zinc/94/70/88/664947088.db2.gz GNILLYQOCSDXGE-HUUCEWRRSA-N 2 1 317.437 0.661 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083610 666495856 /nfs/dbraw/zinc/49/58/56/666495856.db2.gz BRVJIJWYCYEBTL-OAHLLOKOSA-N 2 1 317.437 0.614 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083610 666495857 /nfs/dbraw/zinc/49/58/57/666495857.db2.gz BRVJIJWYCYEBTL-OAHLLOKOSA-N 2 1 317.437 0.614 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995895027 666717409 /nfs/dbraw/zinc/71/74/09/666717409.db2.gz LNONQEAGAXILGD-LSDHHAIUSA-N 2 1 317.437 0.273 20 30 DCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000996673308 666854534 /nfs/dbraw/zinc/85/45/34/666854534.db2.gz VVGXRSJIJGPQMD-HNNXBMFYSA-N 2 1 303.410 0.027 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC#C)CC1 ZINC000997148700 667171959 /nfs/dbraw/zinc/17/19/59/667171959.db2.gz IJNALFPJUGHTMG-WBVHZDCISA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC#C)CC1 ZINC000997148700 667171961 /nfs/dbraw/zinc/17/19/61/667171961.db2.gz IJNALFPJUGHTMG-WBVHZDCISA-N 2 1 301.434 0.934 20 30 DCEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035169435 667261780 /nfs/dbraw/zinc/26/17/80/667261780.db2.gz BIUKKIPHMTWUCV-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035169435 667261782 /nfs/dbraw/zinc/26/17/82/667261782.db2.gz BIUKKIPHMTWUCV-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035169435 667261785 /nfs/dbraw/zinc/26/17/85/667261785.db2.gz BIUKKIPHMTWUCV-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035169435 667261786 /nfs/dbraw/zinc/26/17/86/667261786.db2.gz BIUKKIPHMTWUCV-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC000997624072 667350263 /nfs/dbraw/zinc/35/02/63/667350263.db2.gz KRKFYJCXYBESTC-VYDXJSESSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC000997624072 667350265 /nfs/dbraw/zinc/35/02/65/667350265.db2.gz KRKFYJCXYBESTC-VYDXJSESSA-N 2 1 321.465 0.682 20 30 DCEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC001035818359 667411804 /nfs/dbraw/zinc/41/18/04/667411804.db2.gz SWVSTWUUULLQGN-UHFFFAOYSA-N 2 1 307.438 0.819 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC000884208348 667499387 /nfs/dbraw/zinc/49/93/87/667499387.db2.gz XQENAHQXACRPJK-CLPSQLOGSA-N 2 1 318.421 0.105 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000923329521 667505892 /nfs/dbraw/zinc/50/58/92/667505892.db2.gz VHUJODLMEIJSDX-PMPSAXMXSA-N 2 1 309.454 0.894 20 30 DCEDMP C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[N@H+]1C1CC1 ZINC000884233316 667506129 /nfs/dbraw/zinc/50/61/29/667506129.db2.gz NZCIRSYQRDXSAB-GQEYFMCXSA-N 2 1 302.422 0.867 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000890362302 668119492 /nfs/dbraw/zinc/11/94/92/668119492.db2.gz BMHNZCYJMQUOAS-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000890362302 668119493 /nfs/dbraw/zinc/11/94/93/668119493.db2.gz BMHNZCYJMQUOAS-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000890362302 668119494 /nfs/dbraw/zinc/11/94/94/668119494.db2.gz BMHNZCYJMQUOAS-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000890362302 668119495 /nfs/dbraw/zinc/11/94/95/668119495.db2.gz BMHNZCYJMQUOAS-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000890363432 668120054 /nfs/dbraw/zinc/12/00/54/668120054.db2.gz ONPWRUQNFKTUKX-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000890363432 668120056 /nfs/dbraw/zinc/12/00/56/668120056.db2.gz ONPWRUQNFKTUKX-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000890363432 668120059 /nfs/dbraw/zinc/12/00/59/668120059.db2.gz ONPWRUQNFKTUKX-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000890363432 668120060 /nfs/dbraw/zinc/12/00/60/668120060.db2.gz ONPWRUQNFKTUKX-HOTGVXAUSA-N 2 1 322.453 0.230 20 30 DCEDMP C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)C[NH+]1CCCC1 ZINC000760887408 668291948 /nfs/dbraw/zinc/29/19/48/668291948.db2.gz HRRNUIWCLMHIBU-GFCCVEGCSA-N 2 1 306.414 0.185 20 30 DCEDMP C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)C[NH+]1CCCC1 ZINC000760887409 668292062 /nfs/dbraw/zinc/29/20/62/668292062.db2.gz HRRNUIWCLMHIBU-LBPRGKRZSA-N 2 1 306.414 0.185 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000763073417 668396454 /nfs/dbraw/zinc/39/64/54/668396454.db2.gz YBPVGVPITKDPDF-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000763073417 668396456 /nfs/dbraw/zinc/39/64/56/668396456.db2.gz YBPVGVPITKDPDF-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC[C@H]1CO ZINC000763073417 668396461 /nfs/dbraw/zinc/39/64/61/668396461.db2.gz YBPVGVPITKDPDF-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC[C@H]1CO ZINC000763073417 668396463 /nfs/dbraw/zinc/39/64/63/668396463.db2.gz YBPVGVPITKDPDF-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000876715849 668494048 /nfs/dbraw/zinc/49/40/48/668494048.db2.gz BOQIAUIDFHXJEX-QWHCGFSZSA-N 2 1 303.834 0.929 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771041845 668727702 /nfs/dbraw/zinc/72/77/02/668727702.db2.gz UUENMRNAJBOABP-HOTGVXAUSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771041845 668727703 /nfs/dbraw/zinc/72/77/03/668727703.db2.gz UUENMRNAJBOABP-HOTGVXAUSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000931567242 669223173 /nfs/dbraw/zinc/22/31/73/669223173.db2.gz PNLOPOMHUGXOKE-AWEZNQCLSA-N 2 1 318.425 0.664 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)CC1 ZINC000791259291 669600583 /nfs/dbraw/zinc/60/05/83/669600583.db2.gz OMEHFACICVZTBO-HZPDHXFCSA-N 2 1 307.413 0.976 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC000949141911 670272025 /nfs/dbraw/zinc/27/20/25/670272025.db2.gz PHYCBBFCXZVHSQ-UHFFFAOYSA-N 2 1 316.405 0.518 20 30 DCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000949381465 670328299 /nfs/dbraw/zinc/32/82/99/670328299.db2.gz UHRVQMZBQWCHMT-ISXOHVOVSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949381465 670328303 /nfs/dbraw/zinc/32/83/03/670328303.db2.gz UHRVQMZBQWCHMT-ISXOHVOVSA-N 2 1 303.406 0.017 20 30 DCEDMP C#CCOCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000851765594 671029078 /nfs/dbraw/zinc/02/90/78/671029078.db2.gz WQPQYOKYXPTATB-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000836284900 671822356 /nfs/dbraw/zinc/82/23/56/671822356.db2.gz WMBHCYUOXQBYOG-CABCVRRESA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000836284900 671822359 /nfs/dbraw/zinc/82/23/59/671822359.db2.gz WMBHCYUOXQBYOG-CABCVRRESA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000844097800 672147898 /nfs/dbraw/zinc/14/78/98/672147898.db2.gz VQOWNMNSEZIAMX-HNNXBMFYSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000844097800 672147900 /nfs/dbraw/zinc/14/79/00/672147900.db2.gz VQOWNMNSEZIAMX-HNNXBMFYSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001020250929 693745736 /nfs/dbraw/zinc/74/57/36/693745736.db2.gz WUPVFUYOWAZQID-VQHPVUNQSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001020250929 693745738 /nfs/dbraw/zinc/74/57/38/693745738.db2.gz WUPVFUYOWAZQID-VQHPVUNQSA-N 2 1 319.449 0.890 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+]([C@H](C)COC)C2)CC1 ZINC000957422082 687059421 /nfs/dbraw/zinc/05/94/21/687059421.db2.gz IMDHBAAVXZGHSR-OAHLLOKOSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](C[C@H](C)OC)C2)CC1 ZINC000957422164 687059461 /nfs/dbraw/zinc/05/94/61/687059461.db2.gz LPKDKAFWXUGBOQ-HNNXBMFYSA-N 2 1 321.465 0.899 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958170939 687402968 /nfs/dbraw/zinc/40/29/68/687402968.db2.gz CLVSJNPGJBVYQL-HZPDHXFCSA-N 2 1 321.465 0.847 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958224181 687455889 /nfs/dbraw/zinc/45/58/89/687455889.db2.gz TXKKTMNSIHXAKJ-HOCLYGCPSA-N 2 1 314.389 0.933 20 30 DCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2cccc3nccn32)[C@H](O)C1 ZINC000958257994 687486188 /nfs/dbraw/zinc/48/61/88/687486188.db2.gz MFNYJFWYMDFDCC-TZMCWYRMSA-N 2 1 300.362 0.543 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597771 687785618 /nfs/dbraw/zinc/78/56/18/687785618.db2.gz GBMIFYWYFCZXDE-BBRMVZONSA-N 2 1 316.405 0.193 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597771 687785623 /nfs/dbraw/zinc/78/56/23/687785623.db2.gz GBMIFYWYFCZXDE-BBRMVZONSA-N 2 1 316.405 0.193 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000960264715 688339052 /nfs/dbraw/zinc/33/90/52/688339052.db2.gz IGZRDOYXEOZJEX-TWMKSMIVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000960264715 688339057 /nfs/dbraw/zinc/33/90/57/688339057.db2.gz IGZRDOYXEOZJEX-TWMKSMIVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000960264715 688339063 /nfs/dbraw/zinc/33/90/63/688339063.db2.gz IGZRDOYXEOZJEX-TWMKSMIVSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)O)C2)CC1 ZINC001009624975 691076802 /nfs/dbraw/zinc/07/68/02/691076802.db2.gz CBBZCRMFLGBGBU-GOEBONIOSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018064642 693037413 /nfs/dbraw/zinc/03/74/13/693037413.db2.gz HOHGNYURXJNKMJ-IYBDPMFKSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018064642 693037418 /nfs/dbraw/zinc/03/74/18/693037418.db2.gz HOHGNYURXJNKMJ-IYBDPMFKSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001018985660 693306807 /nfs/dbraw/zinc/30/68/07/693306807.db2.gz XPNXNSBZFWDKFP-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001018985660 693306812 /nfs/dbraw/zinc/30/68/12/693306812.db2.gz XPNXNSBZFWDKFP-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850007 694674641 /nfs/dbraw/zinc/67/46/41/694674641.db2.gz PKQKXICYFHDSBE-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850007 694674642 /nfs/dbraw/zinc/67/46/42/694674642.db2.gz PKQKXICYFHDSBE-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850007 694674643 /nfs/dbraw/zinc/67/46/43/694674643.db2.gz PKQKXICYFHDSBE-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850007 694674644 /nfs/dbraw/zinc/67/46/44/694674644.db2.gz PKQKXICYFHDSBE-HUUCEWRRSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073564500 694743551 /nfs/dbraw/zinc/74/35/51/694743551.db2.gz ZXXKFQFKZZHPKF-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073564500 694743552 /nfs/dbraw/zinc/74/35/52/694743552.db2.gz ZXXKFQFKZZHPKF-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564500 694743553 /nfs/dbraw/zinc/74/35/53/694743553.db2.gz ZXXKFQFKZZHPKF-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564500 694743554 /nfs/dbraw/zinc/74/35/54/694743554.db2.gz ZXXKFQFKZZHPKF-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001571148467 1162676704 /nfs/dbraw/zinc/67/67/04/1162676704.db2.gz QLXDIYYHAYDYSG-QAETUUGQSA-N 2 1 321.465 0.851 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001571527035 1162797295 /nfs/dbraw/zinc/79/72/95/1162797295.db2.gz QWOLRGAVLWOANZ-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001571527035 1162797303 /nfs/dbraw/zinc/79/73/03/1162797303.db2.gz QWOLRGAVLWOANZ-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001571527035 1162797310 /nfs/dbraw/zinc/79/73/10/1162797310.db2.gz QWOLRGAVLWOANZ-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001571527035 1162797317 /nfs/dbraw/zinc/79/73/17/1162797317.db2.gz QWOLRGAVLWOANZ-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC001571563405 1162813145 /nfs/dbraw/zinc/81/31/45/1162813145.db2.gz JITWNDQLGUWGSH-JKSUJKDBSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001571603194 1162852690 /nfs/dbraw/zinc/85/26/90/1162852690.db2.gz WCHHTWOEAQBIGQ-DLBZAZTESA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001571603194 1162852703 /nfs/dbraw/zinc/85/27/03/1162852703.db2.gz WCHHTWOEAQBIGQ-DLBZAZTESA-N 2 1 323.481 0.881 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001571603194 1162852710 /nfs/dbraw/zinc/85/27/10/1162852710.db2.gz WCHHTWOEAQBIGQ-DLBZAZTESA-N 2 1 323.481 0.881 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691145853 1157594244 /nfs/dbraw/zinc/59/42/44/1157594244.db2.gz IWXVCPCMJHNYCY-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCO)CC1 ZINC001754637167 1157813230 /nfs/dbraw/zinc/81/32/30/1157813230.db2.gz AJKHRSBZIUVTSX-KRWDZBQOSA-N 2 1 321.465 0.778 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001755008262 1157905193 /nfs/dbraw/zinc/90/51/93/1157905193.db2.gz MUHDLJDSJYELFA-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001691777810 1157953557 /nfs/dbraw/zinc/95/35/57/1157953557.db2.gz ICZDMDNQCATSNX-HZPDHXFCSA-N 2 1 303.406 0.950 20 30 DCEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001691777810 1157953564 /nfs/dbraw/zinc/95/35/64/1157953564.db2.gz ICZDMDNQCATSNX-HZPDHXFCSA-N 2 1 303.406 0.950 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCCOC2)CC1 ZINC001670798125 1158093184 /nfs/dbraw/zinc/09/31/84/1158093184.db2.gz TZJSSRBZLYUBOZ-CVEARBPZSA-N 2 1 319.449 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCCOC2)CC1 ZINC001670798125 1158093191 /nfs/dbraw/zinc/09/31/91/1158093191.db2.gz TZJSSRBZLYUBOZ-CVEARBPZSA-N 2 1 319.449 0.749 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691527947 1158213411 /nfs/dbraw/zinc/21/34/11/1158213411.db2.gz JTQUTHSXYVIMPI-BRWVUGGUSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691527947 1158213416 /nfs/dbraw/zinc/21/34/16/1158213416.db2.gz JTQUTHSXYVIMPI-BRWVUGGUSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691527947 1158213418 /nfs/dbraw/zinc/21/34/18/1158213418.db2.gz JTQUTHSXYVIMPI-BRWVUGGUSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001566640006 1160107141 /nfs/dbraw/zinc/10/71/41/1160107141.db2.gz ODYMNEUGZHMREL-IAGOWNOFSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001567494716 1160395161 /nfs/dbraw/zinc/39/51/61/1160395161.db2.gz MEGFQCNXUZZUFV-GJZGRUSLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001567710916 1160460879 /nfs/dbraw/zinc/46/08/79/1160460879.db2.gz AXHIXEWNFXYPCA-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001567710916 1160460881 /nfs/dbraw/zinc/46/08/81/1160460881.db2.gz AXHIXEWNFXYPCA-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001567738612 1160469524 /nfs/dbraw/zinc/46/95/24/1160469524.db2.gz HBBRGWMHPXFBSP-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001567838907 1160497013 /nfs/dbraw/zinc/49/70/13/1160497013.db2.gz RAQVAUSCZIJYEY-HNNXBMFYSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC[C@H]1CCOC1 ZINC001568748677 1160758839 /nfs/dbraw/zinc/75/88/39/1160758839.db2.gz GQHBOQMVRLTYLG-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC[C@H]1CCOC1 ZINC001568748677 1160758845 /nfs/dbraw/zinc/75/88/45/1160758845.db2.gz GQHBOQMVRLTYLG-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001569270576 1161000531 /nfs/dbraw/zinc/00/05/31/1161000531.db2.gz ZXUFXVBEGUXENH-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569893390 1161300234 /nfs/dbraw/zinc/30/02/34/1161300234.db2.gz FHTRQRBUSGSNFH-WMZOPIPTSA-N 2 1 319.449 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569893390 1161300239 /nfs/dbraw/zinc/30/02/39/1161300239.db2.gz FHTRQRBUSGSNFH-WMZOPIPTSA-N 2 1 319.449 0.295 20 30 DCEDMP CN(C(=O)[C@@H]([NH3+])CCCCC#N)C(C)(C)C[NH+]1CCOCC1 ZINC001578368064 1164988283 /nfs/dbraw/zinc/98/82/83/1164988283.db2.gz IATQVKQQHMUHET-AWEZNQCLSA-N 2 1 310.442 0.967 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001580043150 1165482880 /nfs/dbraw/zinc/48/28/80/1165482880.db2.gz JEPDXXWBAKTTSO-QJNCVLDKSA-N 2 1 302.422 0.869 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001580044005 1165484172 /nfs/dbraw/zinc/48/41/72/1165484172.db2.gz VEKFEZUBJVZVET-RBSFLKMASA-N 2 1 305.426 0.662 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001646794157 1172535945 /nfs/dbraw/zinc/53/59/45/1172535945.db2.gz BUBABZMXICYNQI-YGRLFVJLSA-N 2 1 309.801 0.453 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001661318059 1174115865 /nfs/dbraw/zinc/11/58/65/1174115865.db2.gz VNWGJDXLUPDAAE-KGLIPLIRSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001663523720 1174315558 /nfs/dbraw/zinc/31/55/58/1174315558.db2.gz OBUJHVOAZKKISJ-HNNXBMFYSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001663523720 1174315563 /nfs/dbraw/zinc/31/55/63/1174315563.db2.gz OBUJHVOAZKKISJ-HNNXBMFYSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001665072049 1174478478 /nfs/dbraw/zinc/47/84/78/1174478478.db2.gz XBBWGCDZWJJVBB-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001665072049 1174478483 /nfs/dbraw/zinc/47/84/83/1174478483.db2.gz XBBWGCDZWJJVBB-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665642300 1174544276 /nfs/dbraw/zinc/54/42/76/1174544276.db2.gz QOYUFEOQFJWDLS-HOCLYGCPSA-N 2 1 324.469 0.408 20 30 DCEDMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC001666372228 1174600703 /nfs/dbraw/zinc/60/07/03/1174600703.db2.gz XSZSMLGRQWIYHW-GJZGRUSLSA-N 2 1 324.469 0.738 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCC1 ZINC001666809326 1174636954 /nfs/dbraw/zinc/63/69/54/1174636954.db2.gz XAGDNDWIRBONOD-UHFFFAOYSA-N 2 1 318.421 0.860 20 30 DCEDMP CCC[N@H+](C)CC(=O)N1CCC2(C[NH+](CC#CCOC)C2)CC1 ZINC001666834779 1174638008 /nfs/dbraw/zinc/63/80/08/1174638008.db2.gz OEFNCINJHJPQFL-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CCC2(C[NH+](CC#CCOC)C2)CC1 ZINC001666834779 1174638012 /nfs/dbraw/zinc/63/80/12/1174638012.db2.gz OEFNCINJHJPQFL-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC#CCOC)C1 ZINC001667695533 1174702375 /nfs/dbraw/zinc/70/23/75/1174702375.db2.gz XXXRZUCSBJJEPF-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC#CCOC)C1 ZINC001667695533 1174702376 /nfs/dbraw/zinc/70/23/76/1174702376.db2.gz XXXRZUCSBJJEPF-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC#CCOC)C1 ZINC001667695533 1174702382 /nfs/dbraw/zinc/70/23/82/1174702382.db2.gz XXXRZUCSBJJEPF-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cn(C)nc1C ZINC001669317216 1174918981 /nfs/dbraw/zinc/91/89/81/1174918981.db2.gz PQZKFUNUQJBQJO-CJNGLKHVSA-N 2 1 317.437 0.420 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001669681798 1174943644 /nfs/dbraw/zinc/94/36/44/1174943644.db2.gz NWEHYJWVXKYXII-LSDHHAIUSA-N 2 1 324.469 0.646 20 30 DCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001672018520 1175062589 /nfs/dbraw/zinc/06/25/89/1175062589.db2.gz GVEVVJGIGCXMHE-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001672018520 1175062595 /nfs/dbraw/zinc/06/25/95/1175062595.db2.gz GVEVVJGIGCXMHE-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001672018520 1175062598 /nfs/dbraw/zinc/06/25/98/1175062598.db2.gz GVEVVJGIGCXMHE-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2(CCO)C[NH+](CCC)C2)CC1 ZINC001675115147 1175330734 /nfs/dbraw/zinc/33/07/34/1175330734.db2.gz KRESUPVILYIGGH-UHFFFAOYSA-N 2 1 307.438 0.295 20 30 DCEDMP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001676571403 1175462089 /nfs/dbraw/zinc/46/20/89/1175462089.db2.gz CFTAWNLHNRZQRF-CABCVRRESA-N 2 1 320.437 0.787 20 30 DCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001677160070 1175538737 /nfs/dbraw/zinc/53/87/37/1175538737.db2.gz CEKHHOCBUJQRMZ-LSDHHAIUSA-N 2 1 320.437 0.773 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCCOC)CC1 ZINC001677570989 1175581914 /nfs/dbraw/zinc/58/19/14/1175581914.db2.gz VOBCRDFSZRJXPL-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCOC)CC1 ZINC001677570989 1175581918 /nfs/dbraw/zinc/58/19/18/1175581918.db2.gz VOBCRDFSZRJXPL-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCOC)CC1 ZINC001677570989 1175581920 /nfs/dbraw/zinc/58/19/20/1175581920.db2.gz VOBCRDFSZRJXPL-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCOC)CC1 ZINC001677570989 1175581925 /nfs/dbraw/zinc/58/19/25/1175581925.db2.gz VOBCRDFSZRJXPL-KRWDZBQOSA-N 2 1 319.449 0.869 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001685771944 1176041024 /nfs/dbraw/zinc/04/10/24/1176041024.db2.gz AIUKAEGYVHSEIB-MRXNPFEDSA-N 2 1 306.454 0.925 20 30 DCEDMP CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+](C)CCC)n1 ZINC001691914181 1177382610 /nfs/dbraw/zinc/38/26/10/1177382610.db2.gz JGBYRTFRZJMRKQ-UHFFFAOYSA-N 2 1 319.409 0.253 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001691989803 1177400089 /nfs/dbraw/zinc/40/00/89/1177400089.db2.gz OBAJAYFVHQQWKL-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001692170224 1177434928 /nfs/dbraw/zinc/43/49/28/1177434928.db2.gz XHSVCNNJAUFSOY-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001692170224 1177434940 /nfs/dbraw/zinc/43/49/40/1177434940.db2.gz XHSVCNNJAUFSOY-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001692170224 1177434950 /nfs/dbraw/zinc/43/49/50/1177434950.db2.gz XHSVCNNJAUFSOY-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001692170224 1177434962 /nfs/dbraw/zinc/43/49/62/1177434962.db2.gz XHSVCNNJAUFSOY-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001698827393 1177685300 /nfs/dbraw/zinc/68/53/00/1177685300.db2.gz AOTZSAYIMYUIGR-CVEARBPZSA-N 2 1 305.422 0.170 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001698827393 1177685304 /nfs/dbraw/zinc/68/53/04/1177685304.db2.gz AOTZSAYIMYUIGR-CVEARBPZSA-N 2 1 305.422 0.170 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699047782 1177797029 /nfs/dbraw/zinc/79/70/29/1177797029.db2.gz ONRNJWRGOBHUNO-GOEBONIOSA-N 2 1 309.454 0.894 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CCOC1 ZINC001699514794 1178176125 /nfs/dbraw/zinc/17/61/25/1178176125.db2.gz BFOLNFLZJFOSHR-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CCOC1 ZINC001699514794 1178176128 /nfs/dbraw/zinc/17/61/28/1178176128.db2.gz BFOLNFLZJFOSHR-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699904440 1178358907 /nfs/dbraw/zinc/35/89/07/1178358907.db2.gz OOTIYKHVXKBODL-KRWDZBQOSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001699998570 1178416065 /nfs/dbraw/zinc/41/60/65/1178416065.db2.gz JBVRMGIMRVEBCC-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001699998570 1178416069 /nfs/dbraw/zinc/41/60/69/1178416069.db2.gz JBVRMGIMRVEBCC-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001699998570 1178416073 /nfs/dbraw/zinc/41/60/73/1178416073.db2.gz JBVRMGIMRVEBCC-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001699998570 1178416077 /nfs/dbraw/zinc/41/60/77/1178416077.db2.gz JBVRMGIMRVEBCC-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001700132883 1178490772 /nfs/dbraw/zinc/49/07/72/1178490772.db2.gz JSWIHAKDFYGUJZ-HUUCEWRRSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H](C)O)CC1 ZINC001700280854 1178565822 /nfs/dbraw/zinc/56/58/22/1178565822.db2.gz AKBATNYEPVNWTL-CABCVRRESA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H](C)O)CC1 ZINC001700280854 1178565826 /nfs/dbraw/zinc/56/58/26/1178565826.db2.gz AKBATNYEPVNWTL-CABCVRRESA-N 2 1 307.438 0.436 20 30 DCEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001700695558 1178708568 /nfs/dbraw/zinc/70/85/68/1178708568.db2.gz LHNOOCHJEZQMGA-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001707075624 1180411107 /nfs/dbraw/zinc/41/11/07/1180411107.db2.gz ICGVVKLGLABSKL-TUVASFSCSA-N 2 1 322.453 0.113 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CC#CCOC ZINC001707205075 1180431769 /nfs/dbraw/zinc/43/17/69/1180431769.db2.gz RWZGRDBRKLZHBU-JKSUJKDBSA-N 2 1 318.421 0.810 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1CC#CCOC ZINC001707205075 1180431772 /nfs/dbraw/zinc/43/17/72/1180431772.db2.gz RWZGRDBRKLZHBU-JKSUJKDBSA-N 2 1 318.421 0.810 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713075090 1180667427 /nfs/dbraw/zinc/66/74/27/1180667427.db2.gz SPCZYOLZEJEXGB-MRXNPFEDSA-N 2 1 308.470 0.781 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713219383 1180726779 /nfs/dbraw/zinc/72/67/79/1180726779.db2.gz PCWSRUYATREPIM-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001713277279 1180748359 /nfs/dbraw/zinc/74/83/59/1180748359.db2.gz GMAVHHPEIZJKEU-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001713277279 1180748366 /nfs/dbraw/zinc/74/83/66/1180748366.db2.gz GMAVHHPEIZJKEU-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCOCC)CC1 ZINC001713520330 1180891286 /nfs/dbraw/zinc/89/12/86/1180891286.db2.gz SGMZQEYQXDPZIQ-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713741616 1181038113 /nfs/dbraw/zinc/03/81/13/1181038113.db2.gz LSIZVYNJRVMEFG-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001713741616 1181038120 /nfs/dbraw/zinc/03/81/20/1181038120.db2.gz LSIZVYNJRVMEFG-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP C=C(Cl)CN1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001713801013 1181077828 /nfs/dbraw/zinc/07/78/28/1181077828.db2.gz BNOKYXKGVLJFFK-UHFFFAOYSA-N 2 1 316.877 0.815 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001713810696 1181085544 /nfs/dbraw/zinc/08/55/44/1181085544.db2.gz ILLOJAPIDMVECW-UHFFFAOYSA-N 2 1 322.497 0.721 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cncn1C ZINC001714244653 1181292965 /nfs/dbraw/zinc/29/29/65/1181292965.db2.gz UQYYZNZHBKDITE-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cncn1C ZINC001714244653 1181292975 /nfs/dbraw/zinc/29/29/75/1181292975.db2.gz UQYYZNZHBKDITE-HIFRSBDPSA-N 2 1 303.410 0.112 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001714884089 1181585978 /nfs/dbraw/zinc/58/59/78/1181585978.db2.gz GRKGNHKWAQXXTG-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001714884089 1181585980 /nfs/dbraw/zinc/58/59/80/1181585980.db2.gz GRKGNHKWAQXXTG-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001714884089 1181585983 /nfs/dbraw/zinc/58/59/83/1181585983.db2.gz GRKGNHKWAQXXTG-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001714884089 1181585985 /nfs/dbraw/zinc/58/59/85/1181585985.db2.gz GRKGNHKWAQXXTG-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714908262 1181596946 /nfs/dbraw/zinc/59/69/46/1181596946.db2.gz MCQBGHBXRQPIDE-HNNXBMFYSA-N 2 1 322.453 0.165 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001714975531 1181623899 /nfs/dbraw/zinc/62/38/99/1181623899.db2.gz DUJVXFOWLVMOMM-UHFFFAOYSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001715321327 1181771340 /nfs/dbraw/zinc/77/13/40/1181771340.db2.gz NDNRZSQBQPHETD-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001715597565 1181885352 /nfs/dbraw/zinc/88/53/52/1181885352.db2.gz JAPNHEUWQDPVEO-DLBZAZTESA-N 2 1 321.465 0.874 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1=O ZINC001716404198 1182376974 /nfs/dbraw/zinc/37/69/74/1182376974.db2.gz ANJRZQWTZYYLGS-OCCSQVGLSA-N 2 1 319.409 0.073 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCOCC1 ZINC001716905685 1182563541 /nfs/dbraw/zinc/56/35/41/1182563541.db2.gz QDZAQYGUDSXUPE-ZIAGYGMSSA-N 2 1 316.405 0.792 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCO)C1 ZINC001717087054 1182671866 /nfs/dbraw/zinc/67/18/66/1182671866.db2.gz PWZFGRINEMGZCE-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCO)C1 ZINC001717087054 1182671872 /nfs/dbraw/zinc/67/18/72/1182671872.db2.gz PWZFGRINEMGZCE-CVEARBPZSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001717259505 1182754119 /nfs/dbraw/zinc/75/41/19/1182754119.db2.gz CJEIOLGDMFJLLG-MRXNPFEDSA-N 2 1 306.410 0.711 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCC1CCCC1 ZINC001717767995 1182988394 /nfs/dbraw/zinc/98/83/94/1182988394.db2.gz LSCYOTYPQFTLAA-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCC1CCCC1 ZINC001717767995 1182988400 /nfs/dbraw/zinc/98/84/00/1182988400.db2.gz LSCYOTYPQFTLAA-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCO)C1 ZINC001752992291 1184228598 /nfs/dbraw/zinc/22/85/98/1184228598.db2.gz JHCKVPHBNUISFC-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCO)C1 ZINC001752992291 1184228604 /nfs/dbraw/zinc/22/86/04/1184228604.db2.gz JHCKVPHBNUISFC-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCO)C1 ZINC001752992291 1184228611 /nfs/dbraw/zinc/22/86/11/1184228611.db2.gz JHCKVPHBNUISFC-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCO)C1 ZINC001752992291 1184228617 /nfs/dbraw/zinc/22/86/17/1184228617.db2.gz JHCKVPHBNUISFC-HOTGVXAUSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001724342188 1184410016 /nfs/dbraw/zinc/41/00/16/1184410016.db2.gz FGFAEQYYNKPDTC-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001724342188 1184410021 /nfs/dbraw/zinc/41/00/21/1184410021.db2.gz FGFAEQYYNKPDTC-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001724342188 1184410026 /nfs/dbraw/zinc/41/00/26/1184410026.db2.gz FGFAEQYYNKPDTC-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001724342188 1184410029 /nfs/dbraw/zinc/41/00/29/1184410029.db2.gz FGFAEQYYNKPDTC-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001724423175 1184440024 /nfs/dbraw/zinc/44/00/24/1184440024.db2.gz WZVZUMSTERFWMM-MRXNPFEDSA-N 2 1 306.410 0.482 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001724925032 1184622985 /nfs/dbraw/zinc/62/29/85/1184622985.db2.gz DKYZNUKUKSHKFJ-RBSFLKMASA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725163880 1184701217 /nfs/dbraw/zinc/70/12/17/1184701217.db2.gz XYMRQJUJNYRCTJ-DZGCQCFKSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725163880 1184701221 /nfs/dbraw/zinc/70/12/21/1184701221.db2.gz XYMRQJUJNYRCTJ-DZGCQCFKSA-N 2 1 322.453 0.067 20 30 DCEDMP CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001725233953 1184731014 /nfs/dbraw/zinc/73/10/14/1184731014.db2.gz QTNVRGSUTVUVEM-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001725329281 1184771784 /nfs/dbraw/zinc/77/17/84/1184771784.db2.gz IVZNEJXULIUOHQ-IUODEOHRSA-N 2 1 322.409 0.741 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001725427318 1184818451 /nfs/dbraw/zinc/81/84/51/1184818451.db2.gz NDJOSHXDXMHESC-UHFFFAOYSA-N 2 1 322.453 0.307 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001725498874 1184847947 /nfs/dbraw/zinc/84/79/47/1184847947.db2.gz VSNAEMASDWYMDR-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725498872 1184848596 /nfs/dbraw/zinc/84/85/96/1184848596.db2.gz VSNAEMASDWYMDR-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCOC)CC1 ZINC001731569321 1185393527 /nfs/dbraw/zinc/39/35/27/1185393527.db2.gz YEJJGEKEDAFNBH-GPANFISMSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCOC)CC1 ZINC001731569321 1185393535 /nfs/dbraw/zinc/39/35/35/1185393535.db2.gz YEJJGEKEDAFNBH-GPANFISMSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001731701658 1185450247 /nfs/dbraw/zinc/45/02/47/1185450247.db2.gz IPIMEGWOCIFIRH-CVEARBPZSA-N 2 1 318.421 0.858 20 30 DCEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001732063694 1185654542 /nfs/dbraw/zinc/65/45/42/1185654542.db2.gz UBVREJBZROCSGT-QGZVFWFLSA-N 2 1 318.465 0.037 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001732063694 1185654544 /nfs/dbraw/zinc/65/45/44/1185654544.db2.gz UBVREJBZROCSGT-QGZVFWFLSA-N 2 1 318.465 0.037 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732419351 1185809259 /nfs/dbraw/zinc/80/92/59/1185809259.db2.gz LRJLSOVWFUUKSI-CABCVRRESA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001734172546 1186568108 /nfs/dbraw/zinc/56/81/08/1186568108.db2.gz CZCJQWBJJGKWEX-LUKYLMHMSA-N 2 1 319.449 0.272 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001734276503 1186600852 /nfs/dbraw/zinc/60/08/52/1186600852.db2.gz DAGSYHNNTIXMIJ-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734414699 1186646485 /nfs/dbraw/zinc/64/64/85/1186646485.db2.gz FTXZXDSVLJCRIM-HUUCEWRRSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734541426 1186684855 /nfs/dbraw/zinc/68/48/55/1186684855.db2.gz NKOHGYQQPBMHGI-HNNXBMFYSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001734547447 1186687979 /nfs/dbraw/zinc/68/79/79/1186687979.db2.gz UASWPZSFCKVMTO-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001734547447 1186687983 /nfs/dbraw/zinc/68/79/83/1186687983.db2.gz UASWPZSFCKVMTO-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001734547447 1186687984 /nfs/dbraw/zinc/68/79/84/1186687984.db2.gz UASWPZSFCKVMTO-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001753025282 1188479553 /nfs/dbraw/zinc/47/95/53/1188479553.db2.gz QINLSKIVRAIPNC-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001753025282 1188479554 /nfs/dbraw/zinc/47/95/54/1188479554.db2.gz QINLSKIVRAIPNC-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001753025282 1188479558 /nfs/dbraw/zinc/47/95/58/1188479558.db2.gz QINLSKIVRAIPNC-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001753025282 1188479562 /nfs/dbraw/zinc/47/95/62/1188479562.db2.gz QINLSKIVRAIPNC-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001754363001 1188832702 /nfs/dbraw/zinc/83/27/02/1188832702.db2.gz KKKNGSBJHRAPQA-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001754595748 1188886853 /nfs/dbraw/zinc/88/68/53/1188886853.db2.gz BCVVOKFMHQFVRZ-ZBFHGGJFSA-N 2 1 318.421 0.810 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001754664872 1188899445 /nfs/dbraw/zinc/89/94/45/1188899445.db2.gz JGPJTZMCLIHRGE-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001754664872 1188899448 /nfs/dbraw/zinc/89/94/48/1188899448.db2.gz JGPJTZMCLIHRGE-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001754664872 1188899451 /nfs/dbraw/zinc/89/94/51/1188899451.db2.gz JGPJTZMCLIHRGE-QGZVFWFLSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001754948323 1188978335 /nfs/dbraw/zinc/97/83/35/1188978335.db2.gz YFJGDMVZNOIYDH-YOEHRIQHSA-N 2 1 315.417 0.917 20 30 DCEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001754948323 1188978336 /nfs/dbraw/zinc/97/83/36/1188978336.db2.gz YFJGDMVZNOIYDH-YOEHRIQHSA-N 2 1 315.417 0.917 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001755088317 1189018974 /nfs/dbraw/zinc/01/89/74/1189018974.db2.gz RNWLGNQRMUROKH-AEFFLSMTSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001755544049 1189143255 /nfs/dbraw/zinc/14/32/55/1189143255.db2.gz IEMXEAIIZIVCNN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001755544049 1189143260 /nfs/dbraw/zinc/14/32/60/1189143260.db2.gz IEMXEAIIZIVCNN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001755544049 1189143264 /nfs/dbraw/zinc/14/32/64/1189143264.db2.gz IEMXEAIIZIVCNN-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC1(C)CC[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC001772298786 1190657177 /nfs/dbraw/zinc/65/71/77/1190657177.db2.gz VJGXDVLSSSBJEG-UUCFBXCCSA-N 2 1 304.438 0.974 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@@H]3C2)CC1 ZINC001042367455 751603400 /nfs/dbraw/zinc/60/34/00/751603400.db2.gz HSFFPDTWCJJJLX-DOTOQJQBSA-N 2 1 319.449 0.247 20 30 DCEDMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001124835484 751720319 /nfs/dbraw/zinc/72/03/19/751720319.db2.gz ADQWDFBFAUFFNH-HNNXBMFYSA-N 2 1 304.369 0.997 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001124835484 751720328 /nfs/dbraw/zinc/72/03/28/751720328.db2.gz ADQWDFBFAUFFNH-HNNXBMFYSA-N 2 1 304.369 0.997 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098723129 749281554 /nfs/dbraw/zinc/28/15/54/749281554.db2.gz UPRBQPQCMKPOLB-CQSZACIVSA-N 2 1 306.414 0.279 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083463151 749841749 /nfs/dbraw/zinc/84/17/49/749841749.db2.gz SUIIYSVNQTUYOK-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757122 749978137 /nfs/dbraw/zinc/97/81/37/749978137.db2.gz JUVWEDRODHILCH-LQCZDEPNSA-N 2 1 305.422 0.615 20 30 DCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757122 749978139 /nfs/dbraw/zinc/97/81/39/749978139.db2.gz JUVWEDRODHILCH-LQCZDEPNSA-N 2 1 305.422 0.615 20 30 DCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757122 749978142 /nfs/dbraw/zinc/97/81/42/749978142.db2.gz JUVWEDRODHILCH-LQCZDEPNSA-N 2 1 305.422 0.615 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291185 750623101 /nfs/dbraw/zinc/62/31/01/750623101.db2.gz AIYKCKAHSSAJMK-ZOBUZTSGSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291185 750623105 /nfs/dbraw/zinc/62/31/05/750623105.db2.gz AIYKCKAHSSAJMK-ZOBUZTSGSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)[C@@H]2C)CC1 ZINC001089059141 750782199 /nfs/dbraw/zinc/78/21/99/750782199.db2.gz ATEAYHUMPCMTTM-LZWOXQAQSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089353146 751284145 /nfs/dbraw/zinc/28/41/45/751284145.db2.gz XWPFFOVAABIYLY-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089353146 751284147 /nfs/dbraw/zinc/28/41/47/751284147.db2.gz XWPFFOVAABIYLY-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089353146 751284148 /nfs/dbraw/zinc/28/41/48/751284148.db2.gz XWPFFOVAABIYLY-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089353146 751284151 /nfs/dbraw/zinc/28/41/51/751284151.db2.gz XWPFFOVAABIYLY-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099590741 752540922 /nfs/dbraw/zinc/54/09/22/752540922.db2.gz IKTIUDPTHPZPTP-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001078202113 753120285 /nfs/dbraw/zinc/12/02/85/753120285.db2.gz DOBYMOUFJUCOLG-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001078202113 753120287 /nfs/dbraw/zinc/12/02/87/753120287.db2.gz DOBYMOUFJUCOLG-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967458 753155446 /nfs/dbraw/zinc/15/54/46/753155446.db2.gz DOEMJVVACBTVLQ-CVEARBPZSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967458 753155452 /nfs/dbraw/zinc/15/54/52/753155452.db2.gz DOEMJVVACBTVLQ-CVEARBPZSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967458 753155455 /nfs/dbraw/zinc/15/54/55/753155455.db2.gz DOEMJVVACBTVLQ-CVEARBPZSA-N 2 1 319.449 0.559 20 30 DCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444254 753196435 /nfs/dbraw/zinc/19/64/35/753196435.db2.gz FVPOGSGAIWDWQT-CVEARBPZSA-N 2 1 319.449 0.844 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046011014 753413557 /nfs/dbraw/zinc/41/35/57/753413557.db2.gz YPIOUWUXXPKUGO-HOTGVXAUSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046011014 753413562 /nfs/dbraw/zinc/41/35/62/753413562.db2.gz YPIOUWUXXPKUGO-HOTGVXAUSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046011014 753413564 /nfs/dbraw/zinc/41/35/64/753413564.db2.gz YPIOUWUXXPKUGO-HOTGVXAUSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064021 753457735 /nfs/dbraw/zinc/45/77/35/753457735.db2.gz CLHRKETVKXWEEO-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064021 753457738 /nfs/dbraw/zinc/45/77/38/753457738.db2.gz CLHRKETVKXWEEO-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064021 753457743 /nfs/dbraw/zinc/45/77/43/753457743.db2.gz CLHRKETVKXWEEO-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831539 753956523 /nfs/dbraw/zinc/95/65/23/753956523.db2.gz QDXRNGKPJFTPQU-XHSDSOJGSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466460 762273074 /nfs/dbraw/zinc/27/30/74/762273074.db2.gz GCLNMVGGTIJMLQ-UHFFFAOYSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001047407524 754254532 /nfs/dbraw/zinc/25/45/32/754254532.db2.gz JAKVFHDHKWQWCD-PMPSAXMXSA-N 2 1 307.438 0.101 20 30 DCEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407524 754254540 /nfs/dbraw/zinc/25/45/40/754254540.db2.gz JAKVFHDHKWQWCD-PMPSAXMXSA-N 2 1 307.438 0.101 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407524 754254546 /nfs/dbraw/zinc/25/45/46/754254546.db2.gz JAKVFHDHKWQWCD-PMPSAXMXSA-N 2 1 307.438 0.101 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407524 754254550 /nfs/dbraw/zinc/25/45/50/754254550.db2.gz JAKVFHDHKWQWCD-PMPSAXMXSA-N 2 1 307.438 0.101 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047408551 754257230 /nfs/dbraw/zinc/25/72/30/754257230.db2.gz ZHJQGGLZAMBCDV-JYJNAYRXSA-N 2 1 309.454 0.654 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001047408551 754257214 /nfs/dbraw/zinc/25/72/14/754257214.db2.gz ZHJQGGLZAMBCDV-JYJNAYRXSA-N 2 1 309.454 0.654 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047408551 754257218 /nfs/dbraw/zinc/25/72/18/754257218.db2.gz ZHJQGGLZAMBCDV-JYJNAYRXSA-N 2 1 309.454 0.654 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047408551 754257223 /nfs/dbraw/zinc/25/72/23/754257223.db2.gz ZHJQGGLZAMBCDV-JYJNAYRXSA-N 2 1 309.454 0.654 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001047439386 754284112 /nfs/dbraw/zinc/28/41/12/754284112.db2.gz FBMCRSPTPOQKRQ-HOTGVXAUSA-N 2 1 314.389 0.946 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001047439386 754284117 /nfs/dbraw/zinc/28/41/17/754284117.db2.gz FBMCRSPTPOQKRQ-HOTGVXAUSA-N 2 1 314.389 0.946 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047596710 754422343 /nfs/dbraw/zinc/42/23/43/754422343.db2.gz YAWJJEIGLYVOHL-JYJNAYRXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047596710 754422345 /nfs/dbraw/zinc/42/23/45/754422345.db2.gz YAWJJEIGLYVOHL-JYJNAYRXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047596710 754422348 /nfs/dbraw/zinc/42/23/48/754422348.db2.gz YAWJJEIGLYVOHL-JYJNAYRXSA-N 2 1 309.454 0.798 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216301 755187218 /nfs/dbraw/zinc/18/72/18/755187218.db2.gz YFDQKEWSWHZFPK-YESZJQIVSA-N 2 1 319.449 0.368 20 30 DCEDMP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049547449 755309687 /nfs/dbraw/zinc/30/96/87/755309687.db2.gz DXOBRRAWUDGMAM-FXUDXRNXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049547449 755309690 /nfs/dbraw/zinc/30/96/90/755309690.db2.gz DXOBRRAWUDGMAM-FXUDXRNXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547449 755309692 /nfs/dbraw/zinc/30/96/92/755309692.db2.gz DXOBRRAWUDGMAM-FXUDXRNXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547449 755309694 /nfs/dbraw/zinc/30/96/94/755309694.db2.gz DXOBRRAWUDGMAM-FXUDXRNXSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564036 755680387 /nfs/dbraw/zinc/68/03/87/755680387.db2.gz XMCDKDUBMDDJDJ-UAEIHBMGSA-N 2 1 317.433 0.757 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001097564036 755680389 /nfs/dbraw/zinc/68/03/89/755680389.db2.gz XMCDKDUBMDDJDJ-UAEIHBMGSA-N 2 1 317.433 0.757 20 30 DCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001097564036 755680390 /nfs/dbraw/zinc/68/03/90/755680390.db2.gz XMCDKDUBMDDJDJ-UAEIHBMGSA-N 2 1 317.433 0.757 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001052783904 755806557 /nfs/dbraw/zinc/80/65/57/755806557.db2.gz LGKKVRFWEDDZTB-INIZCTEOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001054243392 756414915 /nfs/dbraw/zinc/41/49/15/756414915.db2.gz GXPJHQJDTUFPJY-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001054243392 756414916 /nfs/dbraw/zinc/41/49/16/756414916.db2.gz GXPJHQJDTUFPJY-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001054243392 756414920 /nfs/dbraw/zinc/41/49/20/756414920.db2.gz GXPJHQJDTUFPJY-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001054243392 756414923 /nfs/dbraw/zinc/41/49/23/756414923.db2.gz GXPJHQJDTUFPJY-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001054243390 756415664 /nfs/dbraw/zinc/41/56/64/756415664.db2.gz GXPJHQJDTUFPJY-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001054243390 756415666 /nfs/dbraw/zinc/41/56/66/756415666.db2.gz GXPJHQJDTUFPJY-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001054243390 756415668 /nfs/dbraw/zinc/41/56/68/756415668.db2.gz GXPJHQJDTUFPJY-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001054243390 756415669 /nfs/dbraw/zinc/41/56/69/756415669.db2.gz GXPJHQJDTUFPJY-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2C)CC1 ZINC001080992260 756416007 /nfs/dbraw/zinc/41/60/07/756416007.db2.gz AZSBFSVTVLUJMU-GDBMZVCRSA-N 2 1 307.438 0.151 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672972 756751751 /nfs/dbraw/zinc/75/17/51/756751751.db2.gz QYRCEPHCJYPQJY-BZUAXINKSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082223467 756974073 /nfs/dbraw/zinc/97/40/73/756974073.db2.gz YHZJMLFBRHORPN-HUUCEWRRSA-N 2 1 321.425 0.060 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082223467 756974079 /nfs/dbraw/zinc/97/40/79/756974079.db2.gz YHZJMLFBRHORPN-HUUCEWRRSA-N 2 1 321.425 0.060 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392448 757355737 /nfs/dbraw/zinc/35/57/37/757355737.db2.gz SORKAECRWLZTBF-CABCVRRESA-N 2 1 307.438 0.742 20 30 DCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050525242 757795171 /nfs/dbraw/zinc/79/51/71/757795171.db2.gz DDRDDCPUPKUXHR-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050549825 757828704 /nfs/dbraw/zinc/82/87/04/757828704.db2.gz DLCIRCMRRNRPHP-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050549825 757828720 /nfs/dbraw/zinc/82/87/20/757828720.db2.gz DLCIRCMRRNRPHP-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564519 757847135 /nfs/dbraw/zinc/84/71/35/757847135.db2.gz QLPAFBGKYPIXAN-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564519 757847147 /nfs/dbraw/zinc/84/71/47/757847147.db2.gz QLPAFBGKYPIXAN-HUUCEWRRSA-N 2 1 305.422 0.263 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001052043179 759137331 /nfs/dbraw/zinc/13/73/31/759137331.db2.gz QSZDWKAKLFUCQV-JKSUJKDBSA-N 2 1 308.470 0.731 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081464 759165318 /nfs/dbraw/zinc/16/53/18/759165318.db2.gz BRTIZYUGZPFZFM-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081464 759165321 /nfs/dbraw/zinc/16/53/21/759165321.db2.gz BRTIZYUGZPFZFM-DLBZAZTESA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098391585 759213272 /nfs/dbraw/zinc/21/32/72/759213272.db2.gz GAAAILHIDULWJT-UHFFFAOYSA-N 2 1 321.465 0.779 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098392671 759244372 /nfs/dbraw/zinc/24/43/72/759244372.db2.gz WEWYXOXTDDJEEQ-UHFFFAOYSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001098445126 760269742 /nfs/dbraw/zinc/26/97/42/760269742.db2.gz KZIDSAJIMWDINK-UHFFFAOYSA-N 2 1 306.410 0.745 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976047 761627180 /nfs/dbraw/zinc/62/71/80/761627180.db2.gz PNTLONXEFMSDIY-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976047 761627185 /nfs/dbraw/zinc/62/71/85/761627185.db2.gz PNTLONXEFMSDIY-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109976047 761627188 /nfs/dbraw/zinc/62/71/88/761627188.db2.gz PNTLONXEFMSDIY-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109976047 761627193 /nfs/dbraw/zinc/62/71/93/761627193.db2.gz PNTLONXEFMSDIY-YVSFHVDLSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090435819 761671413 /nfs/dbraw/zinc/67/14/13/761671413.db2.gz KQEPIEASQULOHT-HUUCEWRRSA-N 2 1 300.362 0.685 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241429 761733089 /nfs/dbraw/zinc/73/30/89/761733089.db2.gz UYWZRAXDPRITNK-DOTOQJQBSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001129770917 763008362 /nfs/dbraw/zinc/00/83/62/763008362.db2.gz NQZYAKDAHMLLNH-KRWDZBQOSA-N 2 1 310.401 0.862 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001129770917 763008364 /nfs/dbraw/zinc/00/83/64/763008364.db2.gz NQZYAKDAHMLLNH-KRWDZBQOSA-N 2 1 310.401 0.862 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)onc1CC ZINC001129775432 763010722 /nfs/dbraw/zinc/01/07/22/763010722.db2.gz NIAOTZJSNZLYKQ-INIZCTEOSA-N 2 1 318.421 0.849 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)onc1CC ZINC001129775432 763010726 /nfs/dbraw/zinc/01/07/26/763010726.db2.gz NIAOTZJSNZLYKQ-INIZCTEOSA-N 2 1 318.421 0.849 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001098471424 763040250 /nfs/dbraw/zinc/04/02/50/763040250.db2.gz DOAYRKBWMIXLAB-QGZVFWFLSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100114189 763323525 /nfs/dbraw/zinc/32/35/25/763323525.db2.gz KAEDBBUICRMPJG-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100114189 763323535 /nfs/dbraw/zinc/32/35/35/763323535.db2.gz KAEDBBUICRMPJG-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100115990 763326939 /nfs/dbraw/zinc/32/69/39/763326939.db2.gz JFSNDSDFXKZLRC-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212307 763398101 /nfs/dbraw/zinc/39/81/01/763398101.db2.gz XBXQJMOJKBQQTH-NRXISQOPSA-N 2 1 311.426 0.004 20 30 DCEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212307 763398109 /nfs/dbraw/zinc/39/81/09/763398109.db2.gz XBXQJMOJKBQQTH-NRXISQOPSA-N 2 1 311.426 0.004 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622770 763404956 /nfs/dbraw/zinc/40/49/56/763404956.db2.gz ZWVVPCUGTKRJMP-UHFFFAOYSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101037163 763930733 /nfs/dbraw/zinc/93/07/33/763930733.db2.gz BLXXLYPHPFZMNR-UHFFFAOYSA-N 2 1 310.442 0.113 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351054 764065630 /nfs/dbraw/zinc/06/56/30/764065630.db2.gz RCXLCVRTECOWEG-PBHICJAKSA-N 2 1 322.453 0.021 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477541 764108376 /nfs/dbraw/zinc/10/83/76/764108376.db2.gz ZHIFRWBUPAXGCQ-AEFFLSMTSA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477541 764108378 /nfs/dbraw/zinc/10/83/78/764108378.db2.gz ZHIFRWBUPAXGCQ-AEFFLSMTSA-N 2 1 321.465 0.757 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477541 764108379 /nfs/dbraw/zinc/10/83/79/764108379.db2.gz ZHIFRWBUPAXGCQ-AEFFLSMTSA-N 2 1 321.465 0.757 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272750 764355120 /nfs/dbraw/zinc/35/51/20/764355120.db2.gz BIJHHEIKROACKG-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272750 764355130 /nfs/dbraw/zinc/35/51/30/764355130.db2.gz BIJHHEIKROACKG-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133165016 764854070 /nfs/dbraw/zinc/85/40/70/764854070.db2.gz ALRALUWKLLCAQG-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719243 765111470 /nfs/dbraw/zinc/11/14/70/765111470.db2.gz WIWOEIPWGTUBKP-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103719243 765111474 /nfs/dbraw/zinc/11/14/74/765111474.db2.gz WIWOEIPWGTUBKP-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103719243 765111477 /nfs/dbraw/zinc/11/14/77/765111477.db2.gz WIWOEIPWGTUBKP-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC#CCOC)C2 ZINC001111952314 765436828 /nfs/dbraw/zinc/43/68/28/765436828.db2.gz BXPLYDYEAOSTRQ-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#CCOC)C2 ZINC001111952314 765436834 /nfs/dbraw/zinc/43/68/34/765436834.db2.gz BXPLYDYEAOSTRQ-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115119171 765596166 /nfs/dbraw/zinc/59/61/66/765596166.db2.gz SHHRETKRPHRNFF-LJIGWXMPSA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001115119171 765596174 /nfs/dbraw/zinc/59/61/74/765596174.db2.gz SHHRETKRPHRNFF-LJIGWXMPSA-N 2 1 305.422 0.024 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001115119171 765596182 /nfs/dbraw/zinc/59/61/82/765596182.db2.gz SHHRETKRPHRNFF-LJIGWXMPSA-N 2 1 305.422 0.024 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245184 765660423 /nfs/dbraw/zinc/66/04/23/765660423.db2.gz MVEBDANSBDJWLV-NCOADZHNSA-N 2 1 321.465 0.967 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773648 765666648 /nfs/dbraw/zinc/66/66/48/765666648.db2.gz PVLWOINRIGVCTG-UONOGXRCSA-N 2 1 324.469 0.339 20 30 DCEDMP N#Cc1ccc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)s1 ZINC001135350145 765901188 /nfs/dbraw/zinc/90/11/88/765901188.db2.gz NWOIDXMTWQLETN-UHFFFAOYSA-N 2 1 322.434 0.548 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691728 766480266 /nfs/dbraw/zinc/48/02/66/766480266.db2.gz ICKVVIQPDMAZQR-JKSUJKDBSA-N 2 1 309.454 0.844 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC=C)C[C@@H]2O)CC1 ZINC001090829684 766647402 /nfs/dbraw/zinc/64/74/02/766647402.db2.gz DOEOTSOFKYRYMP-IRXDYDNUSA-N 2 1 319.449 0.459 20 30 DCEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CC[N@@H+](C)C2)c1C#N ZINC001119515292 766707880 /nfs/dbraw/zinc/70/78/80/766707880.db2.gz BPKIKQDXEYFJTA-LLVKDONJSA-N 2 1 304.398 0.714 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171225955 767049955 /nfs/dbraw/zinc/04/99/55/767049955.db2.gz BWHMDRLQBOAGRB-UONOGXRCSA-N 2 1 310.442 0.115 20 30 DCEDMP C[N@@H+]1CC=C(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC001120583117 767085965 /nfs/dbraw/zinc/08/59/65/767085965.db2.gz NVNJUFALDZFFSQ-UHFFFAOYSA-N 2 1 320.418 0.578 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001091374300 767251404 /nfs/dbraw/zinc/25/14/04/767251404.db2.gz VKWMMBOLBFLJGJ-JXQTWKCFSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001091374300 767251413 /nfs/dbraw/zinc/25/14/13/767251413.db2.gz VKWMMBOLBFLJGJ-JXQTWKCFSA-N 2 1 315.845 0.944 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711371 767509576 /nfs/dbraw/zinc/50/95/76/767509576.db2.gz RBWRBZMEQBDRFH-UHFFFAOYSA-N 2 1 310.442 0.235 20 30 DCEDMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC#CCOC)C2)[NH+](C)C ZINC001147773753 767837213 /nfs/dbraw/zinc/83/72/13/767837213.db2.gz MKGRHQRHEGNCLO-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911617 768415634 /nfs/dbraw/zinc/41/56/34/768415634.db2.gz VOUQVOJENQOOIX-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911617 768415635 /nfs/dbraw/zinc/41/56/35/768415635.db2.gz VOUQVOJENQOOIX-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911617 768415639 /nfs/dbraw/zinc/41/56/39/768415639.db2.gz VOUQVOJENQOOIX-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093212739 768495182 /nfs/dbraw/zinc/49/51/82/768495182.db2.gz QZTRDJRXJPSUTO-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093212739 768495185 /nfs/dbraw/zinc/49/51/85/768495185.db2.gz QZTRDJRXJPSUTO-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212739 768495190 /nfs/dbraw/zinc/49/51/90/768495190.db2.gz QZTRDJRXJPSUTO-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093212739 768495194 /nfs/dbraw/zinc/49/51/94/768495194.db2.gz QZTRDJRXJPSUTO-OAGGEKHMSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171770011 769371726 /nfs/dbraw/zinc/37/17/26/769371726.db2.gz JOYJOZDASVAAQB-UHFFFAOYSA-N 2 1 324.469 0.625 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938552 769426505 /nfs/dbraw/zinc/42/65/05/769426505.db2.gz XNROIFHQONNZDD-GJZGRUSLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1=O ZINC001152457405 769563541 /nfs/dbraw/zinc/56/35/41/769563541.db2.gz DEYGLUAZOXOZSA-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152457944 769565636 /nfs/dbraw/zinc/56/56/36/769565636.db2.gz JFDHQQFNQXWYGM-KGLIPLIRSA-N 2 1 310.442 0.257 20 30 DCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](CCCC[NH3+])C2 ZINC001235453823 769847643 /nfs/dbraw/zinc/84/76/43/769847643.db2.gz MAGLFDLPBXKRRK-QGZVFWFLSA-N 2 1 308.470 0.908 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565493 770127137 /nfs/dbraw/zinc/12/71/37/770127137.db2.gz VYEXSOHNNBCDDW-CABCVRRESA-N 2 1 324.469 0.505 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176992632 770282669 /nfs/dbraw/zinc/28/26/69/770282669.db2.gz WABXFFQGCXSPBU-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001183354008 771638076 /nfs/dbraw/zinc/63/80/76/771638076.db2.gz LQSSEZBHQGFSLJ-OAGGEKHMSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001183354008 771638078 /nfs/dbraw/zinc/63/80/78/771638078.db2.gz LQSSEZBHQGFSLJ-OAGGEKHMSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001158894957 771831984 /nfs/dbraw/zinc/83/19/84/771831984.db2.gz WBRVYLGIGCBOIR-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001158894957 771831987 /nfs/dbraw/zinc/83/19/87/771831987.db2.gz WBRVYLGIGCBOIR-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158894957 771831992 /nfs/dbraw/zinc/83/19/92/771831992.db2.gz WBRVYLGIGCBOIR-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158894957 771831997 /nfs/dbraw/zinc/83/19/97/771831997.db2.gz WBRVYLGIGCBOIR-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185669031 771946134 /nfs/dbraw/zinc/94/61/34/771946134.db2.gz MWHVPBDYQHJJOJ-LSDHHAIUSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159907559 771974886 /nfs/dbraw/zinc/97/48/86/771974886.db2.gz ADKZLARBVDQJIB-OAHLLOKOSA-N 2 1 322.453 0.095 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc2c(nn1)CC[NH2+]C2 ZINC001159925905 771978171 /nfs/dbraw/zinc/97/81/71/771978171.db2.gz ZCILIRRMDNPMBM-ZDUSSCGKSA-N 2 1 319.409 0.761 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nccnc1C ZINC001160209617 772008940 /nfs/dbraw/zinc/00/89/40/772008940.db2.gz SJKBCIGZCLCQAY-INIZCTEOSA-N 2 1 315.421 0.479 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nccnc1C ZINC001160209617 772008945 /nfs/dbraw/zinc/00/89/45/772008945.db2.gz SJKBCIGZCLCQAY-INIZCTEOSA-N 2 1 315.421 0.479 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cscn1 ZINC001160209622 772009635 /nfs/dbraw/zinc/00/96/35/772009635.db2.gz SPKCJECWJBEFMQ-AWEZNQCLSA-N 2 1 306.435 0.837 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cscn1 ZINC001160209622 772009640 /nfs/dbraw/zinc/00/96/40/772009640.db2.gz SPKCJECWJBEFMQ-AWEZNQCLSA-N 2 1 306.435 0.837 20 30 DCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001160997938 772147008 /nfs/dbraw/zinc/14/70/08/772147008.db2.gz XIOVZJXEJDOAJC-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997938 772147009 /nfs/dbraw/zinc/14/70/09/772147009.db2.gz XIOVZJXEJDOAJC-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160997938 772147010 /nfs/dbraw/zinc/14/70/10/772147010.db2.gz XIOVZJXEJDOAJC-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188955997 772389988 /nfs/dbraw/zinc/38/99/88/772389988.db2.gz AHGSOLHADUZWQK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188955997 772389990 /nfs/dbraw/zinc/38/99/90/772389990.db2.gz AHGSOLHADUZWQK-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018793 772403621 /nfs/dbraw/zinc/40/36/21/772403621.db2.gz VKDWLSHXFVQDEW-DLBZAZTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCO)CC1 ZINC001165545243 772746299 /nfs/dbraw/zinc/74/62/99/772746299.db2.gz IHLLWIVTEKASQC-HNNXBMFYSA-N 2 1 307.438 0.343 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCO)CC1 ZINC001165545243 772746303 /nfs/dbraw/zinc/74/63/03/772746303.db2.gz IHLLWIVTEKASQC-HNNXBMFYSA-N 2 1 307.438 0.343 20 30 DCEDMP COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791724 772924652 /nfs/dbraw/zinc/92/46/52/772924652.db2.gz KIESFRJZRKPNIP-HZPDHXFCSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001205719279 773013121 /nfs/dbraw/zinc/01/31/21/773013121.db2.gz HJPYUZWXNCIEKN-PQUAAJSLSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001206031413 773041016 /nfs/dbraw/zinc/04/10/16/773041016.db2.gz QVZHONBCJODYAW-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001206031413 773041018 /nfs/dbraw/zinc/04/10/18/773041018.db2.gz QVZHONBCJODYAW-KRWDZBQOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469496 773067967 /nfs/dbraw/zinc/06/79/67/773067967.db2.gz RISBTDZUYGUSED-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001193601169 773096558 /nfs/dbraw/zinc/09/65/58/773096558.db2.gz UWJLONMUOWNTHR-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001193601169 773096563 /nfs/dbraw/zinc/09/65/63/773096563.db2.gz UWJLONMUOWNTHR-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001193601169 773096569 /nfs/dbraw/zinc/09/65/69/773096569.db2.gz UWJLONMUOWNTHR-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001208331702 773436068 /nfs/dbraw/zinc/43/60/68/773436068.db2.gz VZNMORPSDVKIHA-HZPDHXFCSA-N 2 1 317.437 0.417 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208454324 773467286 /nfs/dbraw/zinc/46/72/86/773467286.db2.gz VAEOMCLKFBKRLS-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC#CCOC)CC2)CC[N@@H+]1C ZINC001195893473 773492704 /nfs/dbraw/zinc/49/27/04/773492704.db2.gz GIYFVCZGCFAKMN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC#CCOC)CC2)CC[N@H+]1C ZINC001195893473 773492706 /nfs/dbraw/zinc/49/27/06/773492706.db2.gz GIYFVCZGCFAKMN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CC#CCOC)CC2)CC[NH+]1C ZINC001195893473 773492710 /nfs/dbraw/zinc/49/27/10/773492710.db2.gz GIYFVCZGCFAKMN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CC#CCOC)CC2)CC[NH+]1C ZINC001195893473 773492713 /nfs/dbraw/zinc/49/27/13/773492713.db2.gz GIYFVCZGCFAKMN-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209641303 773628136 /nfs/dbraw/zinc/62/81/36/773628136.db2.gz IJJSNXNYKGYSFR-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210773450 773736564 /nfs/dbraw/zinc/73/65/64/773736564.db2.gz JOHSTFCICADMBI-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213166619 773814864 /nfs/dbraw/zinc/81/48/64/773814864.db2.gz YCYSYHWVLKIWFL-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213166619 773814869 /nfs/dbraw/zinc/81/48/69/773814869.db2.gz YCYSYHWVLKIWFL-HUUCEWRRSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182845 774292336 /nfs/dbraw/zinc/29/23/36/774292336.db2.gz UUEQERFVLTUAPN-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182845 774292341 /nfs/dbraw/zinc/29/23/41/774292341.db2.gz UUEQERFVLTUAPN-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200806428 774411509 /nfs/dbraw/zinc/41/15/09/774411509.db2.gz PVLZZWRUDYGEKX-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643578 774570158 /nfs/dbraw/zinc/57/01/58/774570158.db2.gz ZABIXKOARLXNTO-XHSDSOJGSA-N 2 1 307.438 0.456 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830459 774623067 /nfs/dbraw/zinc/62/30/67/774623067.db2.gz XGXJJBYKGVJLOW-XHSDSOJGSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830459 774623072 /nfs/dbraw/zinc/62/30/72/774623072.db2.gz XGXJJBYKGVJLOW-XHSDSOJGSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830459 774623077 /nfs/dbraw/zinc/62/30/77/774623077.db2.gz XGXJJBYKGVJLOW-XHSDSOJGSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830216 774623335 /nfs/dbraw/zinc/62/33/35/774623335.db2.gz RPKKJIIVYMUBGM-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830216 774623338 /nfs/dbraw/zinc/62/33/38/774623338.db2.gz RPKKJIIVYMUBGM-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830216 774623341 /nfs/dbraw/zinc/62/33/41/774623341.db2.gz RPKKJIIVYMUBGM-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666247 774701880 /nfs/dbraw/zinc/70/18/80/774701880.db2.gz FADYIJZHVJPXBN-NCOADZHNSA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666247 774701885 /nfs/dbraw/zinc/70/18/85/774701885.db2.gz FADYIJZHVJPXBN-NCOADZHNSA-N 2 1 319.449 0.698 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405784 774842105 /nfs/dbraw/zinc/84/21/05/774842105.db2.gz ZVFBVKBCBMRVDT-LJISPDSOSA-N 2 1 303.410 0.046 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405784 774842116 /nfs/dbraw/zinc/84/21/16/774842116.db2.gz ZVFBVKBCBMRVDT-LJISPDSOSA-N 2 1 303.410 0.046 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949913 775233484 /nfs/dbraw/zinc/23/34/84/775233484.db2.gz MWWDWUCWQJZGAF-HZPDHXFCSA-N 2 1 317.433 0.265 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949913 775233489 /nfs/dbraw/zinc/23/34/89/775233489.db2.gz MWWDWUCWQJZGAF-HZPDHXFCSA-N 2 1 317.433 0.265 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430791 775491103 /nfs/dbraw/zinc/49/11/03/775491103.db2.gz QNWVYYVURUVUSL-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001224855301 775614056 /nfs/dbraw/zinc/61/40/56/775614056.db2.gz LWHZKZFBXHEMPD-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC[C@H](C)O)CC1 ZINC001227849426 776017055 /nfs/dbraw/zinc/01/70/55/776017055.db2.gz TYKUOABUOYCAEU-RDJZCZTQSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC[C@H](C)O)CC1 ZINC001227849426 776017057 /nfs/dbraw/zinc/01/70/57/776017057.db2.gz TYKUOABUOYCAEU-RDJZCZTQSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001114832888 776204565 /nfs/dbraw/zinc/20/45/65/776204565.db2.gz ZTSPZDVXSULAOD-AIANPOQGSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114832888 776204574 /nfs/dbraw/zinc/20/45/74/776204574.db2.gz ZTSPZDVXSULAOD-AIANPOQGSA-N 2 1 307.438 0.720 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114832888 776204583 /nfs/dbraw/zinc/20/45/83/776204583.db2.gz ZTSPZDVXSULAOD-AIANPOQGSA-N 2 1 307.438 0.720 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230374123 776288132 /nfs/dbraw/zinc/28/81/32/776288132.db2.gz JWHLCRJBTRFTJY-AWEZNQCLSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230374123 776288140 /nfs/dbraw/zinc/28/81/40/776288140.db2.gz JWHLCRJBTRFTJY-AWEZNQCLSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854269 945209545 /nfs/dbraw/zinc/20/95/45/945209545.db2.gz OOKRXZFHNXCYKW-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001266281777 939044855 /nfs/dbraw/zinc/04/48/55/939044855.db2.gz ZZNHLLZNJDSYGP-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001266281777 939044859 /nfs/dbraw/zinc/04/48/59/939044859.db2.gz ZZNHLLZNJDSYGP-INIZCTEOSA-N 2 1 324.469 0.017 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001266630386 939184227 /nfs/dbraw/zinc/18/42/27/939184227.db2.gz NAHXTBIIVDMVHX-RBSFLKMASA-N 2 1 322.453 0.352 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001267130827 939353841 /nfs/dbraw/zinc/35/38/41/939353841.db2.gz ACXAWMVWTKZESO-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001267130827 939353843 /nfs/dbraw/zinc/35/38/43/939353843.db2.gz ACXAWMVWTKZESO-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001267148533 939359202 /nfs/dbraw/zinc/35/92/02/939359202.db2.gz LDNKHYHZSBZZCF-KBPBESRZSA-N 2 1 306.410 0.723 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC#CCOC ZINC001267154811 939361857 /nfs/dbraw/zinc/36/18/57/939361857.db2.gz LEIDXBYQMRMMRQ-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267359712 939434178 /nfs/dbraw/zinc/43/41/78/939434178.db2.gz SNOCIXXSWXGKJX-MRXNPFEDSA-N 2 1 316.405 0.437 20 30 DCEDMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267359712 939434181 /nfs/dbraw/zinc/43/41/81/939434181.db2.gz SNOCIXXSWXGKJX-MRXNPFEDSA-N 2 1 316.405 0.437 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267372322 939438689 /nfs/dbraw/zinc/43/86/89/939438689.db2.gz LSCYWAVAYKYUEK-LSDHHAIUSA-N 2 1 324.469 0.598 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267618459 939589596 /nfs/dbraw/zinc/58/95/96/939589596.db2.gz OPWUXQXGXJBGRS-MRXNPFEDSA-N 2 1 308.470 0.426 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001267657986 939615435 /nfs/dbraw/zinc/61/54/35/939615435.db2.gz JTNPYZJECCVWPE-INIZCTEOSA-N 2 1 321.465 0.758 20 30 DCEDMP C#CC[NH2+]CCN(CCO)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001279753414 939632117 /nfs/dbraw/zinc/63/21/17/939632117.db2.gz LOQDGIFMRYXLED-UHFFFAOYSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOCC=C)C2)CC1 ZINC001267754510 939663980 /nfs/dbraw/zinc/66/39/80/939663980.db2.gz OAPKREKNDNYGJK-QGZVFWFLSA-N 2 1 319.449 0.725 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001481319777 939746214 /nfs/dbraw/zinc/74/62/14/939746214.db2.gz NKTRXCRUARSBBQ-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001481649230 940009071 /nfs/dbraw/zinc/00/90/71/940009071.db2.gz FRCSLJCYYQVDHV-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001481649230 940009073 /nfs/dbraw/zinc/00/90/73/940009073.db2.gz FRCSLJCYYQVDHV-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001481781905 940134464 /nfs/dbraw/zinc/13/44/64/940134464.db2.gz JGKBQSJLGVKIPD-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001481781905 940134466 /nfs/dbraw/zinc/13/44/66/940134466.db2.gz JGKBQSJLGVKIPD-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001481781905 940134467 /nfs/dbraw/zinc/13/44/67/940134467.db2.gz JGKBQSJLGVKIPD-INIZCTEOSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268583106 940266638 /nfs/dbraw/zinc/26/66/38/940266638.db2.gz STKYHOGMJXNGBI-SWJNODNISA-N 2 1 307.438 0.629 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)COC(C)(C)C ZINC001245999783 945310443 /nfs/dbraw/zinc/31/04/43/945310443.db2.gz JXQUIGMTHTVFOV-KBPBESRZSA-N 2 1 316.442 0.979 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnc(C)cn1 ZINC001268648718 940317131 /nfs/dbraw/zinc/31/71/31/940317131.db2.gz TUQSRQXWKVGCAQ-ZBFHGGJFSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnc(C)cn1 ZINC001268648718 940317135 /nfs/dbraw/zinc/31/71/35/940317135.db2.gz TUQSRQXWKVGCAQ-ZBFHGGJFSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273143262 945315983 /nfs/dbraw/zinc/31/59/83/945315983.db2.gz DQJWUHYQAIFVMP-YJBOKZPZSA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273143262 945315993 /nfs/dbraw/zinc/31/59/93/945315993.db2.gz DQJWUHYQAIFVMP-YJBOKZPZSA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273143262 945316002 /nfs/dbraw/zinc/31/60/02/945316002.db2.gz DQJWUHYQAIFVMP-YJBOKZPZSA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273143262 945316011 /nfs/dbraw/zinc/31/60/11/945316011.db2.gz DQJWUHYQAIFVMP-YJBOKZPZSA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273143060 945316135 /nfs/dbraw/zinc/31/61/35/945316135.db2.gz ALIHTUYBROSSBU-SJLPKXTDSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001273143060 945316144 /nfs/dbraw/zinc/31/61/44/945316144.db2.gz ALIHTUYBROSSBU-SJLPKXTDSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001273143060 945316152 /nfs/dbraw/zinc/31/61/52/945316152.db2.gz ALIHTUYBROSSBU-SJLPKXTDSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001273143060 945316160 /nfs/dbraw/zinc/31/61/60/945316160.db2.gz ALIHTUYBROSSBU-SJLPKXTDSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273143258 945316422 /nfs/dbraw/zinc/31/64/22/945316422.db2.gz DQJWUHYQAIFVMP-MAUKXSAKSA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273143258 945316433 /nfs/dbraw/zinc/31/64/33/945316433.db2.gz DQJWUHYQAIFVMP-MAUKXSAKSA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273143258 945316439 /nfs/dbraw/zinc/31/64/39/945316439.db2.gz DQJWUHYQAIFVMP-MAUKXSAKSA-N 2 1 317.433 0.803 20 30 DCEDMP C#CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273143258 945316446 /nfs/dbraw/zinc/31/64/46/945316446.db2.gz DQJWUHYQAIFVMP-MAUKXSAKSA-N 2 1 317.433 0.803 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001268900479 940401794 /nfs/dbraw/zinc/40/17/94/940401794.db2.gz HRWCHGKIDPHCEF-HIFRSBDPSA-N 2 1 324.469 0.311 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001271228308 941328494 /nfs/dbraw/zinc/32/84/94/941328494.db2.gz KVTQUZMTUHEZDK-GOSISDBHSA-N 2 1 321.465 0.829 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001271954205 941490724 /nfs/dbraw/zinc/49/07/24/941490724.db2.gz RVXLWROFJKXTMK-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001271954205 941490726 /nfs/dbraw/zinc/49/07/26/941490726.db2.gz RVXLWROFJKXTMK-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnoc1C ZINC001483237069 942106411 /nfs/dbraw/zinc/10/64/11/942106411.db2.gz YIBQQVXYUIZUDI-WFASDCNBSA-N 2 1 304.394 0.675 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnoc1C ZINC001483237069 942106413 /nfs/dbraw/zinc/10/64/13/942106413.db2.gz YIBQQVXYUIZUDI-WFASDCNBSA-N 2 1 304.394 0.675 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668734 942449156 /nfs/dbraw/zinc/44/91/56/942449156.db2.gz DGICPSDYKBQJKX-PMPSAXMXSA-N 2 1 307.438 0.598 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001272413685 942740581 /nfs/dbraw/zinc/74/05/81/942740581.db2.gz HBXNIRDEBCGCHN-WBVHZDCISA-N 2 1 321.465 0.731 20 30 DCEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001272503989 942790284 /nfs/dbraw/zinc/79/02/84/942790284.db2.gz KBHWOJYKPVXHHM-HOCLYGCPSA-N 2 1 320.437 0.787 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001483794175 942958619 /nfs/dbraw/zinc/95/86/19/942958619.db2.gz DTHOBVSYRSNFAR-OAHLLOKOSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001484564956 943454315 /nfs/dbraw/zinc/45/43/15/943454315.db2.gz GVAFWIKCFFPJSL-BZUAXINKSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001484564956 943454320 /nfs/dbraw/zinc/45/43/20/943454320.db2.gz GVAFWIKCFFPJSL-BZUAXINKSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484839512 943590091 /nfs/dbraw/zinc/59/00/91/943590091.db2.gz LCOVWWYUUMZOER-RDJZCZTQSA-N 2 1 307.438 0.436 20 30 DCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001484849857 943595611 /nfs/dbraw/zinc/59/56/11/943595611.db2.gz ZTGZTWSULDZAQR-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491110120 943763325 /nfs/dbraw/zinc/76/33/25/943763325.db2.gz FEBVRZSFQVRVMN-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491110120 943763330 /nfs/dbraw/zinc/76/33/30/943763330.db2.gz FEBVRZSFQVRVMN-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001491110120 943763337 /nfs/dbraw/zinc/76/33/37/943763337.db2.gz FEBVRZSFQVRVMN-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001485298643 943809476 /nfs/dbraw/zinc/80/94/76/943809476.db2.gz BRAWTIJNBJSCSY-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001485298643 943809481 /nfs/dbraw/zinc/80/94/81/943809481.db2.gz BRAWTIJNBJSCSY-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001485298643 943809488 /nfs/dbraw/zinc/80/94/88/943809488.db2.gz BRAWTIJNBJSCSY-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001485298643 943809494 /nfs/dbraw/zinc/80/94/94/943809494.db2.gz BRAWTIJNBJSCSY-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001485604314 944027621 /nfs/dbraw/zinc/02/76/21/944027621.db2.gz VESMAKAJKGWEJF-LVQVYYBASA-N 2 1 309.429 0.984 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001486022815 944484188 /nfs/dbraw/zinc/48/41/88/944484188.db2.gz JXXCNXHHQGQDMD-GFCCVEGCSA-N 2 1 303.834 0.680 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC#Cc2ccccc2)C1 ZINC001486060873 944522479 /nfs/dbraw/zinc/52/24/79/944522479.db2.gz CLHPKRJOWIHVGT-DLBZAZTESA-N 2 1 315.417 0.057 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001486182202 944627879 /nfs/dbraw/zinc/62/78/79/944627879.db2.gz XOMQKIIAUZWMMP-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001486182202 944627882 /nfs/dbraw/zinc/62/78/82/944627882.db2.gz XOMQKIIAUZWMMP-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001486182205 944628169 /nfs/dbraw/zinc/62/81/69/944628169.db2.gz XOMQKIIAUZWMMP-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001486182205 944628174 /nfs/dbraw/zinc/62/81/74/944628174.db2.gz XOMQKIIAUZWMMP-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001277273033 944735080 /nfs/dbraw/zinc/73/50/80/944735080.db2.gz UNSZUKUTKGDYSH-GJZGRUSLSA-N 2 1 322.453 0.095 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001317039959 944754250 /nfs/dbraw/zinc/75/42/50/944754250.db2.gz NXNJNIGICXFQQF-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317172791 944835475 /nfs/dbraw/zinc/83/54/75/944835475.db2.gz DZURGCIDDZJSOJ-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317172791 944835483 /nfs/dbraw/zinc/83/54/83/944835483.db2.gz DZURGCIDDZJSOJ-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001317179677 944840342 /nfs/dbraw/zinc/84/03/42/944840342.db2.gz WZLULFQVIZMRRL-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001317179677 944840351 /nfs/dbraw/zinc/84/03/51/944840351.db2.gz WZLULFQVIZMRRL-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccns1 ZINC001317260217 944883810 /nfs/dbraw/zinc/88/38/10/944883810.db2.gz WEPXAVIQEVEECY-OCCSQVGLSA-N 2 1 306.435 0.835 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccns1 ZINC001317260217 944883814 /nfs/dbraw/zinc/88/38/14/944883814.db2.gz WEPXAVIQEVEECY-OCCSQVGLSA-N 2 1 306.435 0.835 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001317321535 944923408 /nfs/dbraw/zinc/92/34/08/944923408.db2.gz IEPQAWVRLGGTHC-YESZJQIVSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317511512 945010818 /nfs/dbraw/zinc/01/08/18/945010818.db2.gz YKUGVUQAWICWIE-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317511512 945010826 /nfs/dbraw/zinc/01/08/26/945010826.db2.gz YKUGVUQAWICWIE-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317511512 945010831 /nfs/dbraw/zinc/01/08/31/945010831.db2.gz YKUGVUQAWICWIE-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317511512 945010841 /nfs/dbraw/zinc/01/08/41/945010841.db2.gz YKUGVUQAWICWIE-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001278809829 946429857 /nfs/dbraw/zinc/42/98/57/946429857.db2.gz HOXJETIKHXSZKN-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001322831658 946825765 /nfs/dbraw/zinc/82/57/65/946825765.db2.gz MKJAPQHGCFVWAE-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001273374573 946906987 /nfs/dbraw/zinc/90/69/87/946906987.db2.gz LRLCLBWRKLYNFP-INIZCTEOSA-N 2 1 306.454 0.180 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001324974544 947594970 /nfs/dbraw/zinc/59/49/70/947594970.db2.gz BCURXKWWMJEZDO-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001324974544 947594981 /nfs/dbraw/zinc/59/49/81/947594981.db2.gz BCURXKWWMJEZDO-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001324974544 947594987 /nfs/dbraw/zinc/59/49/87/947594987.db2.gz BCURXKWWMJEZDO-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001324974544 947594989 /nfs/dbraw/zinc/59/49/89/947594989.db2.gz BCURXKWWMJEZDO-AEFFLSMTSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001273465709 947905020 /nfs/dbraw/zinc/90/50/20/947905020.db2.gz LTVHZAWIEFBKJV-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001273465709 947905026 /nfs/dbraw/zinc/90/50/26/947905026.db2.gz LTVHZAWIEFBKJV-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001273465709 947905033 /nfs/dbraw/zinc/90/50/33/947905033.db2.gz LTVHZAWIEFBKJV-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C[NH+](C)CCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCCC#N)C2)C1 ZINC001273712146 948041902 /nfs/dbraw/zinc/04/19/02/948041902.db2.gz PVQGBOQAQOSFHG-QGZVFWFLSA-N 2 1 322.453 0.793 20 30 DCEDMP C[NH+](C)CCC[N@H+]1CCOC[C@]2(CC(=O)N(CCCC#N)C2)C1 ZINC001273712146 948041910 /nfs/dbraw/zinc/04/19/10/948041910.db2.gz PVQGBOQAQOSFHG-QGZVFWFLSA-N 2 1 322.453 0.793 20 30 DCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001273909821 948674410 /nfs/dbraw/zinc/67/44/10/948674410.db2.gz BIDLJWHDGSVUMG-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001264025517 948836904 /nfs/dbraw/zinc/83/69/04/948836904.db2.gz LZZQZLKLWNAGAP-DGCLKSJQSA-N 2 1 319.409 0.414 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001264536497 948997635 /nfs/dbraw/zinc/99/76/35/948997635.db2.gz ZVZZCZPQZBUZBX-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1OCC ZINC001264538930 948998895 /nfs/dbraw/zinc/99/88/95/948998895.db2.gz PMGSHGLXWPKXIU-HUUCEWRRSA-N 2 1 304.394 0.278 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001265245049 949490763 /nfs/dbraw/zinc/49/07/63/949490763.db2.gz ZAAQVNPHTQNXSX-INIZCTEOSA-N 2 1 310.486 0.883 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001489160898 949568498 /nfs/dbraw/zinc/56/84/98/949568498.db2.gz PICBRRYIBAWPKG-SJORKVTESA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001489160898 949568514 /nfs/dbraw/zinc/56/85/14/949568514.db2.gz PICBRRYIBAWPKG-SJORKVTESA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001489160898 949568524 /nfs/dbraw/zinc/56/85/24/949568524.db2.gz PICBRRYIBAWPKG-SJORKVTESA-N 2 1 321.465 0.778 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001265725755 949905097 /nfs/dbraw/zinc/90/50/97/949905097.db2.gz JMMAMZMMVISLPG-SBJFKYEJSA-N 2 1 322.453 0.064 20 30 DCEDMP C#CC[N@H+](C[C@H](O)C1CC1)C1CCN(C[C@@H](O)C2CC2)CC1 ZINC001330708613 950601206 /nfs/dbraw/zinc/60/12/06/950601206.db2.gz RKVIWUFPESHROE-MSOLQXFVSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@@H+](C[C@H](O)C1CC1)C1CCN(C[C@@H](O)C2CC2)CC1 ZINC001330708613 950601222 /nfs/dbraw/zinc/60/12/22/950601222.db2.gz RKVIWUFPESHROE-MSOLQXFVSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@@H+](C[C@H](O)C1CC1)C1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC001330708613 950601239 /nfs/dbraw/zinc/60/12/39/950601239.db2.gz RKVIWUFPESHROE-MSOLQXFVSA-N 2 1 306.450 0.928 20 30 DCEDMP C#CC[N@H+](C[C@H](O)C1CC1)C1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC001330708613 950601255 /nfs/dbraw/zinc/60/12/55/950601255.db2.gz RKVIWUFPESHROE-MSOLQXFVSA-N 2 1 306.450 0.928 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001280095975 950770011 /nfs/dbraw/zinc/77/00/11/950770011.db2.gz SKSVVXJVHNVAHI-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001280095973 950770982 /nfs/dbraw/zinc/77/09/82/950770982.db2.gz SKSVVXJVHNVAHI-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001332199422 951517260 /nfs/dbraw/zinc/51/72/60/951517260.db2.gz OZQZLWKZWQDSBG-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001332199422 951517268 /nfs/dbraw/zinc/51/72/68/951517268.db2.gz OZQZLWKZWQDSBG-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001332208367 951523569 /nfs/dbraw/zinc/52/35/69/951523569.db2.gz VQYQJVDDOUDZBF-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001332208367 951523577 /nfs/dbraw/zinc/52/35/77/951523577.db2.gz VQYQJVDDOUDZBF-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001332208367 951523582 /nfs/dbraw/zinc/52/35/82/951523582.db2.gz VQYQJVDDOUDZBF-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001332208367 951523586 /nfs/dbraw/zinc/52/35/86/951523586.db2.gz VQYQJVDDOUDZBF-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001274550078 951692133 /nfs/dbraw/zinc/69/21/33/951692133.db2.gz LXWOZQVCFGLXGJ-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+](C)CCN(C(=O)c1cnn(CC[NH+](C)C)c1)C(C)C ZINC001332736146 951781745 /nfs/dbraw/zinc/78/17/45/951781745.db2.gz WPXPBNBCYAKGMG-UHFFFAOYSA-N 2 1 319.453 0.860 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001274944050 951904223 /nfs/dbraw/zinc/90/42/23/951904223.db2.gz NWEHYJWVXKYXII-CABCVRRESA-N 2 1 324.469 0.646 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCn1cccn1 ZINC001275573607 952280675 /nfs/dbraw/zinc/28/06/75/952280675.db2.gz FMVIQGZUDAGUKQ-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCn1cccn1 ZINC001275573607 952280681 /nfs/dbraw/zinc/28/06/81/952280681.db2.gz FMVIQGZUDAGUKQ-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCn1cccn1 ZINC001275573607 952280687 /nfs/dbraw/zinc/28/06/87/952280687.db2.gz FMVIQGZUDAGUKQ-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCn1cccn1 ZINC001275573607 952280693 /nfs/dbraw/zinc/28/06/93/952280693.db2.gz FMVIQGZUDAGUKQ-CVEARBPZSA-N 2 1 317.437 0.417 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001280756701 952501046 /nfs/dbraw/zinc/50/10/46/952501046.db2.gz LXUNAFUFBKZKJJ-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001282465354 953598748 /nfs/dbraw/zinc/59/87/48/953598748.db2.gz RTQBKYRSBXIDCY-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001346453961 953893560 /nfs/dbraw/zinc/89/35/60/953893560.db2.gz VTBQPAIVFBZVSH-HZPDHXFCSA-N 2 1 300.406 0.865 20 30 DCEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)CN1CC[NH+](C)CC1 ZINC001346492055 953901403 /nfs/dbraw/zinc/90/14/03/953901403.db2.gz FPTZWQIOSQRFNK-CABCVRRESA-N 2 1 309.458 0.397 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001284178859 954905359 /nfs/dbraw/zinc/90/53/59/954905359.db2.gz JJHDRQKWFYNFHL-CVEARBPZSA-N 2 1 321.465 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001284417793 955075914 /nfs/dbraw/zinc/07/59/14/955075914.db2.gz WYOGDHIYTFMDRG-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001285745503 955950854 /nfs/dbraw/zinc/95/08/54/955950854.db2.gz QISSXANESPXYOX-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001285745503 955950862 /nfs/dbraw/zinc/95/08/62/955950862.db2.gz QISSXANESPXYOX-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2C#N)C1 ZINC001367626864 958215704 /nfs/dbraw/zinc/21/57/04/958215704.db2.gz QNWGYGNIYBFCND-HZPDHXFCSA-N 2 1 316.405 0.077 20 30 DCEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367665089 958304208 /nfs/dbraw/zinc/30/42/08/958304208.db2.gz MDNHOJAZKYVYEY-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367665089 958304220 /nfs/dbraw/zinc/30/42/20/958304220.db2.gz MDNHOJAZKYVYEY-CZUORRHYSA-N 2 1 316.405 0.483 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001491578356 958874783 /nfs/dbraw/zinc/87/47/83/958874783.db2.gz CULBRYUXXKPNCT-ZFWWWQNUSA-N 2 1 318.421 0.498 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001369185655 964501161 /nfs/dbraw/zinc/50/11/61/964501161.db2.gz JPIHIKAKKTZTJS-IHRRRGAJSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001369185655 964501166 /nfs/dbraw/zinc/50/11/66/964501166.db2.gz JPIHIKAKKTZTJS-IHRRRGAJSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001369482473 965054658 /nfs/dbraw/zinc/05/46/58/965054658.db2.gz IIMDTDYBEPGKTD-IHRRRGAJSA-N 2 1 317.861 0.878 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)CC[NH+](C)C ZINC001529079117 1014489873 /nfs/dbraw/zinc/48/98/73/1014489873.db2.gz AUIYQDPQBOAZJX-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)CC[NH+](C)C ZINC001529079117 1014489876 /nfs/dbraw/zinc/48/98/76/1014489876.db2.gz AUIYQDPQBOAZJX-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001527667802 1015520684 /nfs/dbraw/zinc/52/06/84/1015520684.db2.gz QMCQMWSOXUXLAV-GOEBONIOSA-N 2 1 306.454 0.531 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001394744291 994096942 /nfs/dbraw/zinc/09/69/42/994096942.db2.gz UCACACUTRGFTSS-JHJVBQTASA-N 2 1 303.834 0.488 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001502571081 1015976167 /nfs/dbraw/zinc/97/61/67/1015976167.db2.gz XWHCNUYOPOIHDH-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP CC(C)[C@H](CNC(=O)NCC#CC[NH+](C)C)[NH+]1CCOCC1 ZINC001467939578 1016209695 /nfs/dbraw/zinc/20/96/95/1016209695.db2.gz MAGUXGQSWDGOOI-HNNXBMFYSA-N 2 1 310.442 0.207 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001507283695 1016216102 /nfs/dbraw/zinc/21/61/02/1016216102.db2.gz COAILZZHMRVWMX-ZIAGYGMSSA-N 2 1 319.409 0.073 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001507452204 1016336357 /nfs/dbraw/zinc/33/63/57/1016336357.db2.gz ITMLFNRHODMGKS-GJZGRUSLSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001507503447 1016427979 /nfs/dbraw/zinc/42/79/79/1016427979.db2.gz CBQNNZCPFFXBGV-BBRMVZONSA-N 2 1 313.417 0.241 20 30 DCEDMP C=C(Cl)CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402287900 1001178714 /nfs/dbraw/zinc/17/87/14/1001178714.db2.gz KKHYWOMBGXUOMH-TZMCWYRMSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402287900 1001178719 /nfs/dbraw/zinc/17/87/19/1001178719.db2.gz KKHYWOMBGXUOMH-TZMCWYRMSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402287900 1001178722 /nfs/dbraw/zinc/17/87/22/1001178722.db2.gz KKHYWOMBGXUOMH-TZMCWYRMSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402287900 1001178726 /nfs/dbraw/zinc/17/87/26/1001178726.db2.gz KKHYWOMBGXUOMH-TZMCWYRMSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402287900 1001178729 /nfs/dbraw/zinc/17/87/29/1001178729.db2.gz KKHYWOMBGXUOMH-TZMCWYRMSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001505711037 1016475416 /nfs/dbraw/zinc/47/54/16/1016475416.db2.gz YNJOYJZCHYMTLE-QWHCGFSZSA-N 2 1 303.834 0.944 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001505710998 1016476325 /nfs/dbraw/zinc/47/63/25/1016476325.db2.gz XXFVVHRCQFUVBN-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCOC ZINC001508046289 1016622233 /nfs/dbraw/zinc/62/22/33/1016622233.db2.gz RWTJCCWIKGIEJB-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCOC(C)C ZINC001505937760 1016738438 /nfs/dbraw/zinc/73/84/38/1016738438.db2.gz LNZGEYPIFOIZRI-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCOC(C)C ZINC001505937760 1016738451 /nfs/dbraw/zinc/73/84/51/1016738451.db2.gz LNZGEYPIFOIZRI-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCOC(C)C ZINC001505937760 1016738467 /nfs/dbraw/zinc/73/84/67/1016738467.db2.gz LNZGEYPIFOIZRI-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCOC(C)C ZINC001505937760 1016738477 /nfs/dbraw/zinc/73/84/77/1016738477.db2.gz LNZGEYPIFOIZRI-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001445267178 1011596555 /nfs/dbraw/zinc/59/65/55/1011596555.db2.gz LRYLPQWDQVADAA-INIZCTEOSA-N 2 1 318.421 0.465 20 30 DCEDMP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001424422906 1012485834 /nfs/dbraw/zinc/48/58/34/1012485834.db2.gz UFPFRPIZKJNOOJ-UKRRQHHQSA-N 2 1 315.845 0.634 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001506854595 1017617161 /nfs/dbraw/zinc/61/71/61/1017617161.db2.gz LVDPPYILQIQFRI-ULQDDVLXSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001506993056 1017740854 /nfs/dbraw/zinc/74/08/54/1017740854.db2.gz BLVJANAOOPVEDM-OAHLLOKOSA-N 2 1 318.421 0.500 20 30 DCEDMP CC(C)[C@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)[NH+](C)C ZINC001479924736 1017984668 /nfs/dbraw/zinc/98/46/68/1017984668.db2.gz VRHHPMLUHPSORX-OAHLLOKOSA-N 2 1 309.458 0.220 20 30 DCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001497578859 1018244175 /nfs/dbraw/zinc/24/41/75/1018244175.db2.gz KUIJFZSNYXIAGR-AWFCHZOYSA-N 2 1 307.438 0.771 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N(CC)CC ZINC001480480295 1018578089 /nfs/dbraw/zinc/57/80/89/1018578089.db2.gz QLWYLAAZAALBDM-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N(CC)CC ZINC001480480295 1018578100 /nfs/dbraw/zinc/57/81/00/1018578100.db2.gz QLWYLAAZAALBDM-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001495728670 1018672846 /nfs/dbraw/zinc/67/28/46/1018672846.db2.gz CODXBTJMCOEAMX-JYJNAYRXSA-N 2 1 309.454 0.708 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001498132209 1018677207 /nfs/dbraw/zinc/67/72/07/1018677207.db2.gz KCFSOSUIFXIPPF-JKSUJKDBSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001480666542 1018757138 /nfs/dbraw/zinc/75/71/38/1018757138.db2.gz WREROTKBVRRJTO-CQSZACIVSA-N 2 1 316.405 0.955 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501365209 1019100496 /nfs/dbraw/zinc/10/04/96/1019100496.db2.gz XIZOIGWCNGWXTH-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501365209 1019100504 /nfs/dbraw/zinc/10/05/04/1019100504.db2.gz XIZOIGWCNGWXTH-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501365209 1019100509 /nfs/dbraw/zinc/10/05/09/1019100509.db2.gz XIZOIGWCNGWXTH-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001502079306 1019690361 /nfs/dbraw/zinc/69/03/61/1019690361.db2.gz NPIQMUQXDLVDPY-AWEZNQCLSA-N 2 1 304.394 0.457 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001661895399 1174168403 /nfs/dbraw/zinc/16/84/03/1174168403.db2.gz DZMWDXAOUMQZRN-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262317939 529800300 /nfs/dbraw/zinc/80/03/00/529800300.db2.gz RAGKXLPNLSSTMI-CZUORRHYSA-N 2 1 304.394 0.481 20 30 DCEDMP COCc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264093794 238189930 /nfs/dbraw/zinc/18/99/30/238189930.db2.gz LYFWYACQWWVWPB-UHFFFAOYSA-N 2 1 320.437 0.960 20 30 DCEDMP C[C@H](O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264088822 238190030 /nfs/dbraw/zinc/19/00/30/238190030.db2.gz KHFOKQOEYHGTGH-AWEZNQCLSA-N 2 1 320.437 0.867 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccccc1 ZINC000264150967 238191803 /nfs/dbraw/zinc/19/18/03/238191803.db2.gz ZDFDYJYWFLOZRJ-UHFFFAOYSA-N 2 1 306.410 0.692 20 30 DCEDMP [NH2+]=C(NCCCc1ccc(O)cc1)NCCC[NH+]1CCOCC1 ZINC000267470430 238225531 /nfs/dbraw/zinc/22/55/31/238225531.db2.gz XNVWCIHTTOORQB-UHFFFAOYSA-N 2 1 320.437 0.951 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(O)c(F)c1 ZINC000267416766 238225725 /nfs/dbraw/zinc/22/57/25/238225725.db2.gz JIIJFCDUHOYYGN-UHFFFAOYSA-N 2 1 310.373 0.658 20 30 DCEDMP CCNC(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000066245385 396004137 /nfs/dbraw/zinc/00/41/37/396004137.db2.gz RHHTUSNNVSKAMY-MRXNPFEDSA-N 2 1 304.438 0.981 20 30 DCEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000595893672 396677919 /nfs/dbraw/zinc/67/79/19/396677919.db2.gz RTLIMJPVNWNBJP-INIZCTEOSA-N 2 1 300.406 0.888 20 30 DCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)o1 ZINC000600769477 396941037 /nfs/dbraw/zinc/94/10/37/396941037.db2.gz VVIANADHTMOXMD-CYBMUJFWSA-N 2 1 302.378 0.795 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000592493857 397193244 /nfs/dbraw/zinc/19/32/44/397193244.db2.gz CAQQBCBARFYRCL-OLZOCXBDSA-N 2 1 324.425 0.074 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000592493857 397193245 /nfs/dbraw/zinc/19/32/45/397193245.db2.gz CAQQBCBARFYRCL-OLZOCXBDSA-N 2 1 324.425 0.074 20 30 DCEDMP N#Cc1ncn(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000594524237 397563183 /nfs/dbraw/zinc/56/31/83/397563183.db2.gz OVABHNHMZPAROI-CQSZACIVSA-N 2 1 304.398 0.383 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000343735164 415701117 /nfs/dbraw/zinc/70/11/17/415701117.db2.gz FWQGSZWSBIIYRG-UHFFFAOYSA-N 2 1 322.453 0.307 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000294905580 415875181 /nfs/dbraw/zinc/87/51/81/415875181.db2.gz FTULSHNVOCAXTH-CYBMUJFWSA-N 2 1 309.435 0.940 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000294905580 415875186 /nfs/dbraw/zinc/87/51/86/415875186.db2.gz FTULSHNVOCAXTH-CYBMUJFWSA-N 2 1 309.435 0.940 20 30 DCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000329393480 416167463 /nfs/dbraw/zinc/16/74/63/416167463.db2.gz WEWZSISTJBREFE-INIZCTEOSA-N 2 1 323.485 0.610 20 30 DCEDMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000329774540 416190671 /nfs/dbraw/zinc/19/06/71/416190671.db2.gz MJFLWQVEOLMVRC-ILXRZTDVSA-N 2 1 311.474 0.465 20 30 DCEDMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000329774540 416190675 /nfs/dbraw/zinc/19/06/75/416190675.db2.gz MJFLWQVEOLMVRC-ILXRZTDVSA-N 2 1 311.474 0.465 20 30 DCEDMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000329774540 416190677 /nfs/dbraw/zinc/19/06/77/416190677.db2.gz MJFLWQVEOLMVRC-ILXRZTDVSA-N 2 1 311.474 0.465 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000186952430 416257982 /nfs/dbraw/zinc/25/79/82/416257982.db2.gz YGXJEGCNSCQMLH-HNNXBMFYSA-N 2 1 321.465 0.635 20 30 DCEDMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCCc1[nH]nc(N)c1C#N ZINC000595398531 416572762 /nfs/dbraw/zinc/57/27/62/416572762.db2.gz RTISUPPXKKMQRY-GFCCVEGCSA-N 2 1 308.430 0.429 20 30 DCEDMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCCc1[nH]nc(N)c1C#N ZINC000595398531 416572768 /nfs/dbraw/zinc/57/27/68/416572768.db2.gz RTISUPPXKKMQRY-GFCCVEGCSA-N 2 1 308.430 0.429 20 30 DCEDMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000595398531 416572774 /nfs/dbraw/zinc/57/27/74/416572774.db2.gz RTISUPPXKKMQRY-GFCCVEGCSA-N 2 1 308.430 0.429 20 30 DCEDMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000595398531 416572777 /nfs/dbraw/zinc/57/27/77/416572777.db2.gz RTISUPPXKKMQRY-GFCCVEGCSA-N 2 1 308.430 0.429 20 30 DCEDMP C=CC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000638496244 417472993 /nfs/dbraw/zinc/47/29/93/417472993.db2.gz REWOWGSMBCKYLJ-BBRMVZONSA-N 2 1 308.426 0.141 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001566965966 1160196431 /nfs/dbraw/zinc/19/64/31/1160196431.db2.gz PHDPIAXKLGUQRJ-CVEARBPZSA-N 2 1 309.454 0.805 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001569950668 1161343501 /nfs/dbraw/zinc/34/35/01/1161343501.db2.gz QKCQWFXJSIOESR-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262771887 526345914 /nfs/dbraw/zinc/34/59/14/526345914.db2.gz JZTATNTURQRIOJ-CYBMUJFWSA-N 2 1 307.442 0.401 20 30 DCEDMP C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262771887 526345917 /nfs/dbraw/zinc/34/59/17/526345917.db2.gz JZTATNTURQRIOJ-CYBMUJFWSA-N 2 1 307.442 0.401 20 30 DCEDMP C[NH+]=C(NCC1(CO)CCOCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262084270 526350471 /nfs/dbraw/zinc/35/04/71/526350471.db2.gz XWURUPZCXJGRQR-ZDUSSCGKSA-N 2 1 310.442 0.177 20 30 DCEDMP C[NH+]=C(NCC1(CO)CCOCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262084270 526350474 /nfs/dbraw/zinc/35/04/74/526350474.db2.gz XWURUPZCXJGRQR-ZDUSSCGKSA-N 2 1 310.442 0.177 20 30 DCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262481420 526367112 /nfs/dbraw/zinc/36/71/12/526367112.db2.gz RNPGFJFHKUAGKL-AWEZNQCLSA-N 2 1 315.425 0.990 20 30 DCEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261671266 526377797 /nfs/dbraw/zinc/37/77/97/526377797.db2.gz BZXDBPTWSAEOPD-HUUCEWRRSA-N 2 1 320.441 0.463 20 30 DCEDMP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261692884 528813460 /nfs/dbraw/zinc/81/34/60/528813460.db2.gz FGWWEPDCPPJEAR-BPLDGKMQSA-N 2 1 310.442 0.440 20 30 DCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCn2cc[nH+]c2C)CC1 ZINC000264067062 528951121 /nfs/dbraw/zinc/95/11/21/528951121.db2.gz BPNQUOVSHZSSOL-UHFFFAOYSA-N 2 1 322.413 0.717 20 30 DCEDMP C=C(Cl)C[NH2+]CCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001672649530 1175137350 /nfs/dbraw/zinc/13/73/50/1175137350.db2.gz BPZQNTWQKXGPCM-UHFFFAOYSA-N 2 1 300.790 0.355 20 30 DCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036763 661092142 /nfs/dbraw/zinc/09/21/42/661092142.db2.gz GNCIOVAIUCRSSM-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036763 661092144 /nfs/dbraw/zinc/09/21/44/661092144.db2.gz GNCIOVAIUCRSSM-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036763 661092147 /nfs/dbraw/zinc/09/21/47/661092147.db2.gz GNCIOVAIUCRSSM-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981646172 661189509 /nfs/dbraw/zinc/18/95/09/661189509.db2.gz IFNVARLTSOSVEB-UPTPFMHGSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646172 661189511 /nfs/dbraw/zinc/18/95/11/661189511.db2.gz IFNVARLTSOSVEB-UPTPFMHGSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646172 661189512 /nfs/dbraw/zinc/18/95/12/661189512.db2.gz IFNVARLTSOSVEB-UPTPFMHGSA-N 2 1 319.449 0.960 20 30 DCEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000981688883 661195437 /nfs/dbraw/zinc/19/54/37/661195437.db2.gz GVVPHNGHDMYRRK-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981688883 661195438 /nfs/dbraw/zinc/19/54/38/661195438.db2.gz GVVPHNGHDMYRRK-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981688883 661195439 /nfs/dbraw/zinc/19/54/39/661195439.db2.gz GVVPHNGHDMYRRK-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981688883 661195441 /nfs/dbraw/zinc/19/54/41/661195441.db2.gz GVVPHNGHDMYRRK-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553047 657766282 /nfs/dbraw/zinc/76/62/82/657766282.db2.gz XVCYOAZPPISLDA-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC000969594988 658012515 /nfs/dbraw/zinc/01/25/15/658012515.db2.gz FGVKZOBQKFJXMY-RBSFLKMASA-N 2 1 320.437 0.058 20 30 DCEDMP C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969834316 658191124 /nfs/dbraw/zinc/19/11/24/658191124.db2.gz XJJHCTSUBQZBGG-PBHICJAKSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969834316 658191126 /nfs/dbraw/zinc/19/11/26/658191126.db2.gz XJJHCTSUBQZBGG-PBHICJAKSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969834316 658191129 /nfs/dbraw/zinc/19/11/29/658191129.db2.gz XJJHCTSUBQZBGG-PBHICJAKSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@@H+](CC)CCO3)CC1 ZINC000972686638 658243033 /nfs/dbraw/zinc/24/30/33/658243033.db2.gz AYPYKVDEOTYQJL-GOSISDBHSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413476 658737335 /nfs/dbraw/zinc/73/73/35/658737335.db2.gz KRAVCTOVXNWURJ-AEFFLSMTSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413476 658737339 /nfs/dbraw/zinc/73/73/39/658737339.db2.gz KRAVCTOVXNWURJ-AEFFLSMTSA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022122204 658879142 /nfs/dbraw/zinc/87/91/42/658879142.db2.gz RAIVTHTYOWBEEX-RFQIPJPRSA-N 2 1 313.829 0.839 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H](C)F)C[C@H]21 ZINC001025814056 659575574 /nfs/dbraw/zinc/57/55/74/659575574.db2.gz KHQNOGFDMYQKLM-ARKGTOAJSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H](C)F)C[C@H]21 ZINC001025814056 659575580 /nfs/dbraw/zinc/57/55/80/659575580.db2.gz KHQNOGFDMYQKLM-ARKGTOAJSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@H](C)F)C[C@H]21 ZINC001025814056 659575587 /nfs/dbraw/zinc/57/55/87/659575587.db2.gz KHQNOGFDMYQKLM-ARKGTOAJSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@H](C)F)C[C@H]21 ZINC001025814056 659575593 /nfs/dbraw/zinc/57/55/93/659575593.db2.gz KHQNOGFDMYQKLM-ARKGTOAJSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001026893628 659625853 /nfs/dbraw/zinc/62/58/53/659625853.db2.gz MBXKRHJGFJGDJN-HOCLYGCPSA-N 2 1 316.405 0.710 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001026893628 659625855 /nfs/dbraw/zinc/62/58/55/659625855.db2.gz MBXKRHJGFJGDJN-HOCLYGCPSA-N 2 1 316.405 0.710 20 30 DCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982158120 661299605 /nfs/dbraw/zinc/29/96/05/661299605.db2.gz GFPHVVFPPGVBOK-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982158120 661299606 /nfs/dbraw/zinc/29/96/06/661299606.db2.gz GFPHVVFPPGVBOK-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158120 661299607 /nfs/dbraw/zinc/29/96/07/661299607.db2.gz GFPHVVFPPGVBOK-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982158120 661299608 /nfs/dbraw/zinc/29/96/08/661299608.db2.gz GFPHVVFPPGVBOK-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCO)C[C@]2(C)C1 ZINC000982298894 661344932 /nfs/dbraw/zinc/34/49/32/661344932.db2.gz PRYXFRFJZKMCPS-RYQLBKOJSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCO)C[C@]2(C)C1 ZINC000982298894 661344933 /nfs/dbraw/zinc/34/49/33/661344933.db2.gz PRYXFRFJZKMCPS-RYQLBKOJSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCO)C[C@]2(C)C1 ZINC000982298894 661344935 /nfs/dbraw/zinc/34/49/35/661344935.db2.gz PRYXFRFJZKMCPS-RYQLBKOJSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCO)C[C@]2(C)C1 ZINC000982298894 661344937 /nfs/dbraw/zinc/34/49/37/661344937.db2.gz PRYXFRFJZKMCPS-RYQLBKOJSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCO)C[C@]2(C)C1 ZINC000982298894 661344938 /nfs/dbraw/zinc/34/49/38/661344938.db2.gz PRYXFRFJZKMCPS-RYQLBKOJSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592882 661662762 /nfs/dbraw/zinc/66/27/62/661662762.db2.gz UUELVYVSHFJKBS-NVXWUHKLSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028592882 661662764 /nfs/dbraw/zinc/66/27/64/661662764.db2.gz UUELVYVSHFJKBS-NVXWUHKLSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028592882 661662766 /nfs/dbraw/zinc/66/27/66/661662766.db2.gz UUELVYVSHFJKBS-NVXWUHKLSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536818 665792468 /nfs/dbraw/zinc/79/24/68/665792468.db2.gz ZPXJQRLCSVQUDL-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536818 665792469 /nfs/dbraw/zinc/79/24/69/665792469.db2.gz ZPXJQRLCSVQUDL-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536818 665792472 /nfs/dbraw/zinc/79/24/72/665792472.db2.gz ZPXJQRLCSVQUDL-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536818 665792475 /nfs/dbraw/zinc/79/24/75/665792475.db2.gz ZPXJQRLCSVQUDL-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536818 665792476 /nfs/dbraw/zinc/79/24/76/665792476.db2.gz ZPXJQRLCSVQUDL-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698837 661765075 /nfs/dbraw/zinc/76/50/75/661765075.db2.gz QPXKFRMFTBHTNI-VUGNNNGISA-N 2 1 317.433 0.311 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699332 661766594 /nfs/dbraw/zinc/76/65/94/661766594.db2.gz XTHJCCFCBMQZGP-BOLLXYOYSA-N 2 1 305.422 0.474 20 30 DCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028699332 661766597 /nfs/dbraw/zinc/76/65/97/661766597.db2.gz XTHJCCFCBMQZGP-BOLLXYOYSA-N 2 1 305.422 0.474 20 30 DCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028699332 661766600 /nfs/dbraw/zinc/76/66/00/661766600.db2.gz XTHJCCFCBMQZGP-BOLLXYOYSA-N 2 1 305.422 0.474 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)O)CC1 ZINC001029596302 662423126 /nfs/dbraw/zinc/42/31/26/662423126.db2.gz JDRGBCRDIWVAOI-OIISXLGYSA-N 2 1 319.449 0.388 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989193112 662889866 /nfs/dbraw/zinc/88/98/66/662889866.db2.gz IQOUIJDLCJDLJJ-KBPBESRZSA-N 2 1 300.406 0.974 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941230255 665950801 /nfs/dbraw/zinc/95/08/01/665950801.db2.gz GWYKIMORFINXAP-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941230255 665950802 /nfs/dbraw/zinc/95/08/02/665950802.db2.gz GWYKIMORFINXAP-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230255 665950804 /nfs/dbraw/zinc/95/08/04/665950804.db2.gz GWYKIMORFINXAP-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230255 665950806 /nfs/dbraw/zinc/95/08/06/665950806.db2.gz GWYKIMORFINXAP-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908592816 663763229 /nfs/dbraw/zinc/76/32/29/663763229.db2.gz QDKVWNVRMASGTE-HNNXBMFYSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908592816 663763231 /nfs/dbraw/zinc/76/32/31/663763231.db2.gz QDKVWNVRMASGTE-HNNXBMFYSA-N 2 1 307.438 0.436 20 30 DCEDMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913523648 664334961 /nfs/dbraw/zinc/33/49/61/664334961.db2.gz HKPFTNIYPKKGBB-HOTGVXAUSA-N 2 1 317.437 0.137 20 30 DCEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000992854604 664779834 /nfs/dbraw/zinc/77/98/34/664779834.db2.gz IKVLBBZXKIISIC-BRWVUGGUSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000732307551 664913027 /nfs/dbraw/zinc/91/30/27/664913027.db2.gz KDJNDKDUWPVSAA-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000732307551 664913028 /nfs/dbraw/zinc/91/30/28/664913028.db2.gz KDJNDKDUWPVSAA-IRXDYDNUSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031742340 665398606 /nfs/dbraw/zinc/39/86/06/665398606.db2.gz BLSSUFHSOSMEAI-HOCLYGCPSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031742340 665398608 /nfs/dbraw/zinc/39/86/08/665398608.db2.gz BLSSUFHSOSMEAI-HOCLYGCPSA-N 2 1 305.422 0.169 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567536 666020350 /nfs/dbraw/zinc/02/03/50/666020350.db2.gz VXYXFRBVDUGMDT-RDJZCZTQSA-N 2 1 320.481 0.589 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567536 666020351 /nfs/dbraw/zinc/02/03/51/666020351.db2.gz VXYXFRBVDUGMDT-RDJZCZTQSA-N 2 1 320.481 0.589 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000736258931 667132518 /nfs/dbraw/zinc/13/25/18/667132518.db2.gz XRDZEKKKHYVQJJ-KRWDZBQOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000736258931 667132524 /nfs/dbraw/zinc/13/25/24/667132524.db2.gz XRDZEKKKHYVQJJ-KRWDZBQOSA-N 2 1 319.449 0.655 20 30 DCEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035170539 667262074 /nfs/dbraw/zinc/26/20/74/667262074.db2.gz QLYKOCNIPOGJDF-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035170539 667262077 /nfs/dbraw/zinc/26/20/77/667262077.db2.gz QLYKOCNIPOGJDF-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035170539 667262080 /nfs/dbraw/zinc/26/20/80/667262080.db2.gz QLYKOCNIPOGJDF-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035170539 667262084 /nfs/dbraw/zinc/26/20/84/667262084.db2.gz QLYKOCNIPOGJDF-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997624749 667350512 /nfs/dbraw/zinc/35/05/12/667350512.db2.gz ZQPUPENKQAMABM-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997624749 667350514 /nfs/dbraw/zinc/35/05/14/667350514.db2.gz ZQPUPENKQAMABM-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000884127713 667479243 /nfs/dbraw/zinc/47/92/43/667479243.db2.gz LAGNIFLKGLZATN-HRCADAONSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000884127713 667479246 /nfs/dbraw/zinc/47/92/46/667479246.db2.gz LAGNIFLKGLZATN-HRCADAONSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000884127713 667479247 /nfs/dbraw/zinc/47/92/47/667479247.db2.gz LAGNIFLKGLZATN-HRCADAONSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000884127713 667479249 /nfs/dbraw/zinc/47/92/49/667479249.db2.gz LAGNIFLKGLZATN-HRCADAONSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000923551706 667559816 /nfs/dbraw/zinc/55/98/16/667559816.db2.gz OXLODSJMOKEMOB-HNNXBMFYSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000923551706 667559818 /nfs/dbraw/zinc/55/98/18/667559818.db2.gz OXLODSJMOKEMOB-HNNXBMFYSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000748746251 667936281 /nfs/dbraw/zinc/93/62/81/667936281.db2.gz GNSVDVWONMYRSZ-INIZCTEOSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000748746251 667936283 /nfs/dbraw/zinc/93/62/83/667936283.db2.gz GNSVDVWONMYRSZ-INIZCTEOSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000890371339 668124279 /nfs/dbraw/zinc/12/42/79/668124279.db2.gz SRLHTXRYEZUNQD-HOTGVXAUSA-N 2 1 302.422 0.740 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000890371339 668124281 /nfs/dbraw/zinc/12/42/81/668124281.db2.gz SRLHTXRYEZUNQD-HOTGVXAUSA-N 2 1 302.422 0.740 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)CC1 ZINC000791259289 669600394 /nfs/dbraw/zinc/60/03/94/669600394.db2.gz OMEHFACICVZTBO-HOTGVXAUSA-N 2 1 307.413 0.976 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269653 670091467 /nfs/dbraw/zinc/09/14/67/670091467.db2.gz QCPGBNVSLNVZJG-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269653 670091469 /nfs/dbraw/zinc/09/14/69/670091469.db2.gz QCPGBNVSLNVZJG-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948269653 670091471 /nfs/dbraw/zinc/09/14/71/670091471.db2.gz QCPGBNVSLNVZJG-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269653 670091473 /nfs/dbraw/zinc/09/14/73/670091473.db2.gz QCPGBNVSLNVZJG-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841808 670214116 /nfs/dbraw/zinc/21/41/16/670214116.db2.gz FFBBBYJDOYKVGH-HOTGVXAUSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841808 670214118 /nfs/dbraw/zinc/21/41/18/670214118.db2.gz FFBBBYJDOYKVGH-HOTGVXAUSA-N 2 1 307.438 0.818 20 30 DCEDMP CC#CCN1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000949317587 670311567 /nfs/dbraw/zinc/31/15/67/670311567.db2.gz SYAUDWCREZERHQ-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949317587 670311571 /nfs/dbraw/zinc/31/15/71/670311571.db2.gz SYAUDWCREZERHQ-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949317587 670311578 /nfs/dbraw/zinc/31/15/78/670311578.db2.gz SYAUDWCREZERHQ-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000949317587 670311582 /nfs/dbraw/zinc/31/15/82/670311582.db2.gz SYAUDWCREZERHQ-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C[C@@H]1C[NH+]=C(NN=C2c3ccccc3N(CC[NH+](C)C)C2=O)N1 ZINC000807981791 670383552 /nfs/dbraw/zinc/38/35/52/670383552.db2.gz SEQDTAZKRZVBTO-LLVKDONJSA-N 2 1 314.393 0.236 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000852867886 671179986 /nfs/dbraw/zinc/17/99/86/671179986.db2.gz GDNLRAQYTFKWOJ-SJORKVTESA-N 2 1 319.449 0.749 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000900505096 685449303 /nfs/dbraw/zinc/44/93/03/685449303.db2.gz STJZQNOCVOXFSJ-OAHLLOKOSA-N 2 1 322.453 0.435 20 30 DCEDMP CC[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000303881104 685208012 /nfs/dbraw/zinc/20/80/12/685208012.db2.gz HKFXZYLAAGWIFB-OAHLLOKOSA-N 3 1 311.474 0.487 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038535017 694109438 /nfs/dbraw/zinc/10/94/38/694109438.db2.gz JTFJOZLVLUTYFY-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038535017 694109440 /nfs/dbraw/zinc/10/94/40/694109440.db2.gz JTFJOZLVLUTYFY-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038535017 694109441 /nfs/dbraw/zinc/10/94/41/694109441.db2.gz JTFJOZLVLUTYFY-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214370 687445223 /nfs/dbraw/zinc/44/52/23/687445223.db2.gz GNSVWRBWFPGBQA-CABCVRRESA-N 2 1 305.422 0.047 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214158 687445267 /nfs/dbraw/zinc/44/52/67/687445267.db2.gz DUOTZGSFVHTMQR-GJZGRUSLSA-N 2 1 307.438 0.600 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219012 687450164 /nfs/dbraw/zinc/45/01/64/687450164.db2.gz GXRQVTXVCYGFGH-ZFWWWQNUSA-N 2 1 300.362 0.543 20 30 DCEDMP C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375380 687598345 /nfs/dbraw/zinc/59/83/45/687598345.db2.gz SXQIERCDYAELKH-KGLIPLIRSA-N 2 1 315.845 0.490 20 30 DCEDMP C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375380 687598348 /nfs/dbraw/zinc/59/83/48/687598348.db2.gz SXQIERCDYAELKH-KGLIPLIRSA-N 2 1 315.845 0.490 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729879 687881942 /nfs/dbraw/zinc/88/19/42/687881942.db2.gz YZLJVMGIMVKFFU-RDJZCZTQSA-N 2 1 317.433 0.957 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959953362 688268633 /nfs/dbraw/zinc/26/86/33/688268633.db2.gz MAGKIVYLEQHIQL-NHAGDIPZSA-N 2 1 303.410 0.291 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000968954605 690434150 /nfs/dbraw/zinc/43/41/50/690434150.db2.gz MXAOWXIFYWDMIP-HIFRSBDPSA-N 2 1 318.446 0.931 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000968954605 690434153 /nfs/dbraw/zinc/43/41/53/690434153.db2.gz MXAOWXIFYWDMIP-HIFRSBDPSA-N 2 1 318.446 0.931 20 30 DCEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136134 694496639 /nfs/dbraw/zinc/49/66/39/694496639.db2.gz DNWLBDWKARTORO-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136134 694496643 /nfs/dbraw/zinc/49/66/43/694496643.db2.gz DNWLBDWKARTORO-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136134 694496644 /nfs/dbraw/zinc/49/66/44/694496644.db2.gz DNWLBDWKARTORO-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136134 694496647 /nfs/dbraw/zinc/49/66/47/694496647.db2.gz DNWLBDWKARTORO-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014709166 692077955 /nfs/dbraw/zinc/07/79/55/692077955.db2.gz AVTZBOTXLXGXKR-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014709166 692077958 /nfs/dbraw/zinc/07/79/58/692077958.db2.gz AVTZBOTXLXGXKR-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014709166 692077961 /nfs/dbraw/zinc/07/79/61/692077961.db2.gz AVTZBOTXLXGXKR-NVXWUHKLSA-N 2 1 319.449 0.844 20 30 DCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001018963170 693298450 /nfs/dbraw/zinc/29/84/50/693298450.db2.gz BYOUARTVXANXRT-GJZGRUSLSA-N 2 1 305.426 0.580 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001018985729 693307169 /nfs/dbraw/zinc/30/71/69/693307169.db2.gz BQUAWCMFOZUXOZ-IRXDYDNUSA-N 2 1 312.417 0.870 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001018985729 693307174 /nfs/dbraw/zinc/30/71/74/693307174.db2.gz BQUAWCMFOZUXOZ-IRXDYDNUSA-N 2 1 312.417 0.870 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072913602 694683195 /nfs/dbraw/zinc/68/31/95/694683195.db2.gz CFTGRMNRKAXYDY-HNNXBMFYSA-N 2 1 305.422 0.263 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861969 694793724 /nfs/dbraw/zinc/79/37/24/694793724.db2.gz KTTPHUXYPVYBIN-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798915 694977476 /nfs/dbraw/zinc/97/74/76/694977476.db2.gz SYHPFMNETVHSHD-GVDBMIGSSA-N 2 1 301.434 0.884 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173028 695003251 /nfs/dbraw/zinc/00/32/51/695003251.db2.gz HNZRDCAPIQYVDF-ARFHVFGLSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173028 695003252 /nfs/dbraw/zinc/00/32/52/695003252.db2.gz HNZRDCAPIQYVDF-ARFHVFGLSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173028 695003253 /nfs/dbraw/zinc/00/32/53/695003253.db2.gz HNZRDCAPIQYVDF-ARFHVFGLSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173028 695003254 /nfs/dbraw/zinc/00/32/54/695003254.db2.gz HNZRDCAPIQYVDF-ARFHVFGLSA-N 2 1 307.438 0.814 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001570846111 1162633561 /nfs/dbraw/zinc/63/35/61/1162633561.db2.gz WHWNPNXXNWOPDY-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001570846111 1162633564 /nfs/dbraw/zinc/63/35/64/1162633564.db2.gz WHWNPNXXNWOPDY-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001570862107 1162635869 /nfs/dbraw/zinc/63/58/69/1162635869.db2.gz PSLQJVFLTUBQTP-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001571525686 1162797136 /nfs/dbraw/zinc/79/71/36/1162797136.db2.gz VRZUSMPDULCTDO-HOCLYGCPSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691153624 1157599285 /nfs/dbraw/zinc/59/92/85/1157599285.db2.gz AYHSDWPVDYQBQZ-AWEZNQCLSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001752335303 1157912205 /nfs/dbraw/zinc/91/22/05/1157912205.db2.gz PFOVYXQXSSDHBO-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001752335303 1157912206 /nfs/dbraw/zinc/91/22/06/1157912206.db2.gz PFOVYXQXSSDHBO-OAHLLOKOSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001755443792 1158141873 /nfs/dbraw/zinc/14/18/73/1158141873.db2.gz DEFWXJLDIKZXSI-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP C=C(C)C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691535317 1158316573 /nfs/dbraw/zinc/31/65/73/1158316573.db2.gz FBAUROZNVOMHMH-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691535317 1158316580 /nfs/dbraw/zinc/31/65/80/1158316580.db2.gz FBAUROZNVOMHMH-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691535317 1158316587 /nfs/dbraw/zinc/31/65/87/1158316587.db2.gz FBAUROZNVOMHMH-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001691571110 1158341794 /nfs/dbraw/zinc/34/17/94/1158341794.db2.gz FNJABYFZZOXGLT-RRFJBIMHSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCOC)CC1 ZINC001691666943 1158692142 /nfs/dbraw/zinc/69/21/42/1158692142.db2.gz HLWWKZMSHWFIJQ-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCOC)CC1 ZINC001691666943 1158692146 /nfs/dbraw/zinc/69/21/46/1158692146.db2.gz HLWWKZMSHWFIJQ-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001566724384 1160137871 /nfs/dbraw/zinc/13/78/71/1160137871.db2.gz HQLVFRBVSWCMCE-GOEBONIOSA-N 2 1 307.438 0.462 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001566793682 1160154682 /nfs/dbraw/zinc/15/46/82/1160154682.db2.gz XHSMTNQEWZARIZ-FDYHWXHSSA-N 2 1 317.393 0.052 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001566890458 1160178126 /nfs/dbraw/zinc/17/81/26/1160178126.db2.gz RRFPJILZMWLISF-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001566905291 1160181053 /nfs/dbraw/zinc/18/10/53/1160181053.db2.gz OVYCKPTZFOJESN-IRXDYDNUSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567203465 1160273256 /nfs/dbraw/zinc/27/32/56/1160273256.db2.gz SOOJKENNJVEMEB-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567203465 1160273259 /nfs/dbraw/zinc/27/32/59/1160273259.db2.gz SOOJKENNJVEMEB-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567203465 1160273266 /nfs/dbraw/zinc/27/32/66/1160273266.db2.gz SOOJKENNJVEMEB-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567203465 1160273269 /nfs/dbraw/zinc/27/32/69/1160273269.db2.gz SOOJKENNJVEMEB-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001567399698 1160348683 /nfs/dbraw/zinc/34/86/83/1160348683.db2.gz CILLKBCCLMRYBF-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567399698 1160348689 /nfs/dbraw/zinc/34/86/89/1160348689.db2.gz CILLKBCCLMRYBF-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001567399698 1160348697 /nfs/dbraw/zinc/34/86/97/1160348697.db2.gz CILLKBCCLMRYBF-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567402693 1160350537 /nfs/dbraw/zinc/35/05/37/1160350537.db2.gz GRSLUTMNRUEOJN-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567402693 1160350542 /nfs/dbraw/zinc/35/05/42/1160350542.db2.gz GRSLUTMNRUEOJN-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567402693 1160350549 /nfs/dbraw/zinc/35/05/49/1160350549.db2.gz GRSLUTMNRUEOJN-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001567498315 1160396795 /nfs/dbraw/zinc/39/67/95/1160396795.db2.gz DGNFPCIEEOMXDT-QLFBSQMISA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001567895757 1160521327 /nfs/dbraw/zinc/52/13/27/1160521327.db2.gz MPQOXZPFUYSQIT-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001567895757 1160521332 /nfs/dbraw/zinc/52/13/32/1160521332.db2.gz MPQOXZPFUYSQIT-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569749238 1161222644 /nfs/dbraw/zinc/22/26/44/1161222644.db2.gz RFLMGDRPOSGUDS-SJLPKXTDSA-N 2 1 321.465 0.847 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569752956 1161223943 /nfs/dbraw/zinc/22/39/43/1161223943.db2.gz RLPKUFQFJHOFPB-NVXWUHKLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001569752956 1161223949 /nfs/dbraw/zinc/22/39/49/1161223949.db2.gz RLPKUFQFJHOFPB-NVXWUHKLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001569752956 1161223959 /nfs/dbraw/zinc/22/39/59/1161223959.db2.gz RLPKUFQFJHOFPB-NVXWUHKLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569765823 1161234219 /nfs/dbraw/zinc/23/42/19/1161234219.db2.gz RSUAAGNAWLADRD-RDJZCZTQSA-N 2 1 307.438 0.293 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001569791799 1161250137 /nfs/dbraw/zinc/25/01/37/1161250137.db2.gz REDCSICPDVIQRC-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001569791799 1161250143 /nfs/dbraw/zinc/25/01/43/1161250143.db2.gz REDCSICPDVIQRC-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001570135773 1161429895 /nfs/dbraw/zinc/42/98/95/1161429895.db2.gz ONOBFDSWOMVGCO-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001570135773 1161429909 /nfs/dbraw/zinc/42/99/09/1161429909.db2.gz ONOBFDSWOMVGCO-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3n2CC[NH2+][C@@H]3C)C1 ZINC001574673140 1163739849 /nfs/dbraw/zinc/73/98/49/1163739849.db2.gz HUQZGXSTUMBXJE-KGLIPLIRSA-N 2 1 300.406 0.980 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3n2CC[NH2+][C@@H]3C)C1 ZINC001574673140 1163739852 /nfs/dbraw/zinc/73/98/52/1163739852.db2.gz HUQZGXSTUMBXJE-KGLIPLIRSA-N 2 1 300.406 0.980 20 30 DCEDMP C#CCN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CC[NH+](C)CC1 ZINC001646421648 1172374686 /nfs/dbraw/zinc/37/46/86/1172374686.db2.gz OLBRBACJLYCWJU-HZPDHXFCSA-N 2 1 307.438 0.388 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001649442408 1173136043 /nfs/dbraw/zinc/13/60/43/1173136043.db2.gz BIIAVPMDOFKOFY-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001650157124 1173487349 /nfs/dbraw/zinc/48/73/49/1173487349.db2.gz DHUYDLSTOWESFV-DOTOQJQBSA-N 2 1 319.405 0.149 20 30 DCEDMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001650157124 1173487350 /nfs/dbraw/zinc/48/73/50/1173487350.db2.gz DHUYDLSTOWESFV-DOTOQJQBSA-N 2 1 319.405 0.149 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001656784478 1173885515 /nfs/dbraw/zinc/88/55/15/1173885515.db2.gz RPKKWIXASNADJS-KRWDZBQOSA-N 2 1 321.465 0.781 20 30 DCEDMP CC#CC[N@@H+](C)CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001660145459 1173950554 /nfs/dbraw/zinc/95/05/54/1173950554.db2.gz DLXDEZOVNCEPJY-UHFFFAOYSA-N 2 1 305.426 0.520 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001662429336 1174208782 /nfs/dbraw/zinc/20/87/82/1174208782.db2.gz HQYVBKKIVHMDBB-INIZCTEOSA-N 2 1 317.433 0.863 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001662429336 1174208789 /nfs/dbraw/zinc/20/87/89/1174208789.db2.gz HQYVBKKIVHMDBB-INIZCTEOSA-N 2 1 317.433 0.863 20 30 DCEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001664467618 1174434054 /nfs/dbraw/zinc/43/40/54/1174434054.db2.gz NKFZKFVGJHOIQS-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001664467618 1174434056 /nfs/dbraw/zinc/43/40/56/1174434056.db2.gz NKFZKFVGJHOIQS-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001664558068 1174440459 /nfs/dbraw/zinc/44/04/59/1174440459.db2.gz YCXGBTJDXVQUBP-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001664853190 1174466875 /nfs/dbraw/zinc/46/68/75/1174466875.db2.gz GXVVXCCRZCBBLZ-CVEARBPZSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001664853190 1174466877 /nfs/dbraw/zinc/46/68/77/1174466877.db2.gz GXVVXCCRZCBBLZ-CVEARBPZSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001664853190 1174466879 /nfs/dbraw/zinc/46/68/79/1174466879.db2.gz GXVVXCCRZCBBLZ-CVEARBPZSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001664869286 1174467629 /nfs/dbraw/zinc/46/76/29/1174467629.db2.gz VMNCBGUXVLMEQN-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001664869286 1174467634 /nfs/dbraw/zinc/46/76/34/1174467634.db2.gz VMNCBGUXVLMEQN-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001664869286 1174467641 /nfs/dbraw/zinc/46/76/41/1174467641.db2.gz VMNCBGUXVLMEQN-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOCC)C2)CC1 ZINC001665597177 1174533667 /nfs/dbraw/zinc/53/36/67/1174533667.db2.gz RBCLGTRSHPLKKI-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001667701580 1174703349 /nfs/dbraw/zinc/70/33/49/1174703349.db2.gz NJIPOLSHTBCODR-DLBZAZTESA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001667701580 1174703353 /nfs/dbraw/zinc/70/33/53/1174703353.db2.gz NJIPOLSHTBCODR-DLBZAZTESA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001667701580 1174703354 /nfs/dbraw/zinc/70/33/54/1174703354.db2.gz NJIPOLSHTBCODR-DLBZAZTESA-N 2 1 321.465 0.899 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001667911690 1174731859 /nfs/dbraw/zinc/73/18/59/1174731859.db2.gz JZPHGYRDVNHDAD-OAHLLOKOSA-N 2 1 315.377 0.524 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cnn(C)c1 ZINC001668455900 1174798399 /nfs/dbraw/zinc/79/83/99/1174798399.db2.gz RKLAZDJRZBCTEV-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cnn(C)c1 ZINC001668455900 1174798404 /nfs/dbraw/zinc/79/84/04/1174798404.db2.gz RKLAZDJRZBCTEV-INIZCTEOSA-N 2 1 317.437 0.456 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOCC)CCC1 ZINC001673175960 1175176727 /nfs/dbraw/zinc/17/67/27/1175176727.db2.gz PBYRSSWWJGSBSZ-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOCC)CCC1 ZINC001673175960 1175176729 /nfs/dbraw/zinc/17/67/29/1175176729.db2.gz PBYRSSWWJGSBSZ-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001674573766 1175284763 /nfs/dbraw/zinc/28/47/63/1175284763.db2.gz JDGVHBSPECTUNZ-SLTAFYQDSA-N 2 1 300.406 0.872 20 30 DCEDMP COCC#CC[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001676180308 1175426740 /nfs/dbraw/zinc/42/67/40/1175426740.db2.gz SWVNATSZRXGUTP-MRXNPFEDSA-N 2 1 320.437 0.962 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676272862 1175434134 /nfs/dbraw/zinc/43/41/34/1175434134.db2.gz DWHGGPXESPAMIR-JKSUJKDBSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001677043723 1175514415 /nfs/dbraw/zinc/51/44/15/1175514415.db2.gz UMBJIMOOVPWEOH-CQSZACIVSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001677138129 1175534307 /nfs/dbraw/zinc/53/43/07/1175534307.db2.gz KVEANKDAPKWMRN-DLBZAZTESA-N 2 1 317.433 0.722 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001677157121 1175539751 /nfs/dbraw/zinc/53/97/51/1175539751.db2.gz RTSIOKQFEAZXBZ-HZPDHXFCSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001677157121 1175539756 /nfs/dbraw/zinc/53/97/56/1175539756.db2.gz RTSIOKQFEAZXBZ-HZPDHXFCSA-N 2 1 309.454 0.634 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001677157121 1175539758 /nfs/dbraw/zinc/53/97/58/1175539758.db2.gz RTSIOKQFEAZXBZ-HZPDHXFCSA-N 2 1 309.454 0.634 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001690436326 1177242524 /nfs/dbraw/zinc/24/25/24/1177242524.db2.gz MDBQYEGABFPKSL-INIZCTEOSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001692025782 1177402779 /nfs/dbraw/zinc/40/27/79/1177402779.db2.gz SXZFLEIIBWBPMC-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001692025782 1177402799 /nfs/dbraw/zinc/40/27/99/1177402799.db2.gz SXZFLEIIBWBPMC-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001692025782 1177402816 /nfs/dbraw/zinc/40/28/16/1177402816.db2.gz SXZFLEIIBWBPMC-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001692025782 1177402827 /nfs/dbraw/zinc/40/28/27/1177402827.db2.gz SXZFLEIIBWBPMC-QLFBSQMISA-N 2 1 322.453 0.209 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001692234357 1177455299 /nfs/dbraw/zinc/45/52/99/1177455299.db2.gz URWQTWHVROBEBI-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccnn1C ZINC001698602613 1177579536 /nfs/dbraw/zinc/57/95/36/1177579536.db2.gz LGQRSCCWONHZHL-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccnn1C ZINC001698602613 1177579540 /nfs/dbraw/zinc/57/95/40/1177579540.db2.gz LGQRSCCWONHZHL-HOCLYGCPSA-N 2 1 317.437 0.502 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001699011494 1177769848 /nfs/dbraw/zinc/76/98/48/1177769848.db2.gz AJVGTCQMEJOWMO-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CCOC1 ZINC001699514793 1178176227 /nfs/dbraw/zinc/17/62/27/1178176227.db2.gz BFOLNFLZJFOSHR-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CCOC1 ZINC001699514793 1178176229 /nfs/dbraw/zinc/17/62/29/1178176229.db2.gz BFOLNFLZJFOSHR-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001699781594 1178285945 /nfs/dbraw/zinc/28/59/45/1178285945.db2.gz YCYQMCUREVUJFJ-GDBMZVCRSA-N 2 1 307.438 0.388 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001699807708 1178292899 /nfs/dbraw/zinc/29/28/99/1178292899.db2.gz GXLMHKVAMXAZKA-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C)CCOCC1 ZINC001699880788 1178329398 /nfs/dbraw/zinc/32/93/98/1178329398.db2.gz ODIOIYWSECXPDD-HNNXBMFYSA-N 2 1 305.422 0.525 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C)CCOCC1 ZINC001699880788 1178329392 /nfs/dbraw/zinc/32/93/92/1178329392.db2.gz ODIOIYWSECXPDD-HNNXBMFYSA-N 2 1 305.422 0.525 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001700302081 1178572164 /nfs/dbraw/zinc/57/21/64/1178572164.db2.gz XFPKSODNOCDKGH-INIZCTEOSA-N 2 1 317.433 0.050 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001700302081 1178572170 /nfs/dbraw/zinc/57/21/70/1178572170.db2.gz XFPKSODNOCDKGH-INIZCTEOSA-N 2 1 317.433 0.050 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001700308048 1178575030 /nfs/dbraw/zinc/57/50/30/1178575030.db2.gz LXHROZHJHGYWET-IYBDPMFKSA-N 2 1 321.465 0.826 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001700381050 1178604153 /nfs/dbraw/zinc/60/41/53/1178604153.db2.gz LZLSPRSEARLGRP-QQFBHYJXSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001700963396 1178839693 /nfs/dbraw/zinc/83/96/93/1178839693.db2.gz CBVWZJVZADZXDD-CVEARBPZSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001700963396 1178839702 /nfs/dbraw/zinc/83/97/02/1178839702.db2.gz CBVWZJVZADZXDD-CVEARBPZSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001700963396 1178839709 /nfs/dbraw/zinc/83/97/09/1178839709.db2.gz CBVWZJVZADZXDD-CVEARBPZSA-N 2 1 309.454 0.491 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001707023699 1180400674 /nfs/dbraw/zinc/40/06/74/1180400674.db2.gz UMVQFWNHZGRJMI-QLFBSQMISA-N 2 1 322.453 0.067 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)C[C@@H](C)O)CC1 ZINC001707469628 1180528758 /nfs/dbraw/zinc/52/87/58/1180528758.db2.gz GEQXBKRRZADVPI-OAHLLOKOSA-N 2 1 309.454 0.541 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001713088532 1180677999 /nfs/dbraw/zinc/67/79/99/1180677999.db2.gz SDGRYQOSABLFLY-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001713088532 1180678005 /nfs/dbraw/zinc/67/80/05/1180678005.db2.gz SDGRYQOSABLFLY-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[NH+](C)CCC)C2)C1=O ZINC001713088532 1180678011 /nfs/dbraw/zinc/67/80/11/1180678011.db2.gz SDGRYQOSABLFLY-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[NH+](C)CCC)C2)C1=O ZINC001713088532 1180678015 /nfs/dbraw/zinc/67/80/15/1180678015.db2.gz SDGRYQOSABLFLY-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001713771633 1181055707 /nfs/dbraw/zinc/05/57/07/1181055707.db2.gz NTDRKLXYTXQYAO-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001713771633 1181055710 /nfs/dbraw/zinc/05/57/10/1181055710.db2.gz NTDRKLXYTXQYAO-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001713771633 1181055717 /nfs/dbraw/zinc/05/57/17/1181055717.db2.gz NTDRKLXYTXQYAO-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001714038885 1181219741 /nfs/dbraw/zinc/21/97/41/1181219741.db2.gz GWXIYQDOKXNNSN-BRWVUGGUSA-N 2 1 321.465 0.899 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714038885 1181219749 /nfs/dbraw/zinc/21/97/49/1181219749.db2.gz GWXIYQDOKXNNSN-BRWVUGGUSA-N 2 1 321.465 0.899 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001714038885 1181219754 /nfs/dbraw/zinc/21/97/54/1181219754.db2.gz GWXIYQDOKXNNSN-BRWVUGGUSA-N 2 1 321.465 0.899 20 30 DCEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001714038885 1181219762 /nfs/dbraw/zinc/21/97/62/1181219762.db2.gz GWXIYQDOKXNNSN-BRWVUGGUSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001714093747 1181240756 /nfs/dbraw/zinc/24/07/56/1181240756.db2.gz QHPWEQASENQTFS-HNNXBMFYSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001714142331 1181260447 /nfs/dbraw/zinc/26/04/47/1181260447.db2.gz RVYRZZGWFJMRDB-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714586370 1181427657 /nfs/dbraw/zinc/42/76/57/1181427657.db2.gz OYRUKVFFUYKXFP-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714586370 1181427660 /nfs/dbraw/zinc/42/76/60/1181427660.db2.gz OYRUKVFFUYKXFP-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714586370 1181427662 /nfs/dbraw/zinc/42/76/62/1181427662.db2.gz OYRUKVFFUYKXFP-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001714586370 1181427665 /nfs/dbraw/zinc/42/76/65/1181427665.db2.gz OYRUKVFFUYKXFP-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001714617074 1181441133 /nfs/dbraw/zinc/44/11/33/1181441133.db2.gz BNWLHDPMKRYXRB-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001714617074 1181441139 /nfs/dbraw/zinc/44/11/39/1181441139.db2.gz BNWLHDPMKRYXRB-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714796368 1181552227 /nfs/dbraw/zinc/55/22/27/1181552227.db2.gz FXRVGOUYTHTEIU-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001714884092 1181584949 /nfs/dbraw/zinc/58/49/49/1181584949.db2.gz GRKGNHKWAQXXTG-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001714884092 1181584952 /nfs/dbraw/zinc/58/49/52/1181584952.db2.gz GRKGNHKWAQXXTG-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001714884092 1181584954 /nfs/dbraw/zinc/58/49/54/1181584954.db2.gz GRKGNHKWAQXXTG-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001714884092 1181584957 /nfs/dbraw/zinc/58/49/57/1181584957.db2.gz GRKGNHKWAQXXTG-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001714908346 1181595971 /nfs/dbraw/zinc/59/59/71/1181595971.db2.gz NBCYYNDXIVDFQV-INIZCTEOSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001714908346 1181595975 /nfs/dbraw/zinc/59/59/75/1181595975.db2.gz NBCYYNDXIVDFQV-INIZCTEOSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714908346 1181595983 /nfs/dbraw/zinc/59/59/83/1181595983.db2.gz NBCYYNDXIVDFQV-INIZCTEOSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC#CCOC ZINC001715062664 1181678218 /nfs/dbraw/zinc/67/82/18/1181678218.db2.gz IHAVZBCNPXXYGK-CVEARBPZSA-N 2 1 305.422 0.218 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC#CCOC ZINC001715062664 1181678223 /nfs/dbraw/zinc/67/82/23/1181678223.db2.gz IHAVZBCNPXXYGK-CVEARBPZSA-N 2 1 305.422 0.218 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccnn1C ZINC001715341873 1181780511 /nfs/dbraw/zinc/78/05/11/1181780511.db2.gz YAVUFYLFAIYQMW-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccnn1C ZINC001715341873 1181780519 /nfs/dbraw/zinc/78/05/19/1181780519.db2.gz YAVUFYLFAIYQMW-ZBFHGGJFSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCOC1 ZINC001715934651 1182108727 /nfs/dbraw/zinc/10/87/27/1182108727.db2.gz KTSDBZHAQPYTDY-PMPSAXMXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCOC1 ZINC001715934651 1182108733 /nfs/dbraw/zinc/10/87/33/1182108733.db2.gz KTSDBZHAQPYTDY-PMPSAXMXSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001716498031 1182413703 /nfs/dbraw/zinc/41/37/03/1182413703.db2.gz MBBXAVDOIHUSNX-CQSZACIVSA-N 2 1 305.426 0.518 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC[C@H](C)O)CC1 ZINC001716670479 1182488305 /nfs/dbraw/zinc/48/83/05/1182488305.db2.gz FRGPGZZSUCMWGU-RDJZCZTQSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001716830937 1182537611 /nfs/dbraw/zinc/53/76/11/1182537611.db2.gz AHCIIJAKSRPFMX-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001716830937 1182537614 /nfs/dbraw/zinc/53/76/14/1182537614.db2.gz AHCIIJAKSRPFMX-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001716830937 1182537615 /nfs/dbraw/zinc/53/76/15/1182537615.db2.gz AHCIIJAKSRPFMX-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001717015737 1182624072 /nfs/dbraw/zinc/62/40/72/1182624072.db2.gz QOZITDQZGTVOTK-KRWDZBQOSA-N 2 1 320.481 0.664 20 30 DCEDMP C#CC[NH2+]C1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001717299120 1182771524 /nfs/dbraw/zinc/77/15/24/1182771524.db2.gz IJQSIZFCWXZJMP-UHFFFAOYSA-N 2 1 304.394 0.954 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717938829 1183077494 /nfs/dbraw/zinc/07/74/94/1183077494.db2.gz TWRUXAKIVGXVPR-JKSUJKDBSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001717938829 1183077500 /nfs/dbraw/zinc/07/75/00/1183077500.db2.gz TWRUXAKIVGXVPR-JKSUJKDBSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001717938829 1183077513 /nfs/dbraw/zinc/07/75/13/1183077513.db2.gz TWRUXAKIVGXVPR-JKSUJKDBSA-N 2 1 309.454 0.634 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001717942527 1183081914 /nfs/dbraw/zinc/08/19/14/1183081914.db2.gz UKYRVLRPZZFSTA-OAHLLOKOSA-N 2 1 307.438 0.389 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001723301712 1184282843 /nfs/dbraw/zinc/28/28/43/1184282843.db2.gz REWAKCXFVLKILH-BMFZPTHFSA-N 2 1 307.438 0.461 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001724172256 1184394160 /nfs/dbraw/zinc/39/41/60/1184394160.db2.gz BAYIKGSMPZHXEX-XJKSGUPXSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001724172256 1184394164 /nfs/dbraw/zinc/39/41/64/1184394164.db2.gz BAYIKGSMPZHXEX-XJKSGUPXSA-N 2 1 310.442 0.209 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001724361468 1184413774 /nfs/dbraw/zinc/41/37/74/1184413774.db2.gz GGAMCOFMEFOSKW-UHFFFAOYSA-N 2 1 304.394 0.470 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC2CC2)C1 ZINC001724901219 1184610594 /nfs/dbraw/zinc/61/05/94/1184610594.db2.gz ARWMXHZANPMCAO-FUHWJXTLSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC2CC2)C1 ZINC001724901219 1184610596 /nfs/dbraw/zinc/61/05/96/1184610596.db2.gz ARWMXHZANPMCAO-FUHWJXTLSA-N 2 1 319.449 0.437 20 30 DCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001724981434 1184643537 /nfs/dbraw/zinc/64/35/37/1184643537.db2.gz MCAWIWYOVOBBNR-INIZCTEOSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001725329286 1184771723 /nfs/dbraw/zinc/77/17/23/1184771723.db2.gz IVZNEJXULIUOHQ-WFASDCNBSA-N 2 1 322.409 0.741 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001731702083 1185449781 /nfs/dbraw/zinc/44/97/81/1185449781.db2.gz KFAZQUMGPQXIBB-HUUCEWRRSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001731849880 1185528175 /nfs/dbraw/zinc/52/81/75/1185528175.db2.gz USZNNADMOUKNDT-OAHLLOKOSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731859674 1185535102 /nfs/dbraw/zinc/53/51/02/1185535102.db2.gz FKHRXVQXDMVOTM-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001731946858 1185599298 /nfs/dbraw/zinc/59/92/98/1185599298.db2.gz OPIBWDSZHHFTEJ-LSDHHAIUSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](CCC)CC1 ZINC001732062978 1185654551 /nfs/dbraw/zinc/65/45/51/1185654551.db2.gz DCNHHGBNTCKUCJ-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](CCC)CC1 ZINC001732062978 1185654554 /nfs/dbraw/zinc/65/45/54/1185654554.db2.gz DCNHHGBNTCKUCJ-KRWDZBQOSA-N 2 1 320.481 0.570 20 30 DCEDMP COCC#CCN1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001732128340 1185688675 /nfs/dbraw/zinc/68/86/75/1185688675.db2.gz FFNZYESGCGFPMG-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001732128340 1185688679 /nfs/dbraw/zinc/68/86/79/1185688679.db2.gz FFNZYESGCGFPMG-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001732128340 1185688681 /nfs/dbraw/zinc/68/86/81/1185688681.db2.gz FFNZYESGCGFPMG-IAGOWNOFSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001733044148 1186116090 /nfs/dbraw/zinc/11/60/90/1186116090.db2.gz VOGUBSPEFNZEKF-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CCCOC1 ZINC001733106146 1186141389 /nfs/dbraw/zinc/14/13/89/1186141389.db2.gz KMYLUQMYEDMIAQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CCCOC1 ZINC001733106146 1186141393 /nfs/dbraw/zinc/14/13/93/1186141393.db2.gz KMYLUQMYEDMIAQ-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CC1 ZINC001733248788 1186200344 /nfs/dbraw/zinc/20/03/44/1186200344.db2.gz DFOUIWUPSUPXDZ-GJZGRUSLSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CC1 ZINC001733248788 1186200350 /nfs/dbraw/zinc/20/03/50/1186200350.db2.gz DFOUIWUPSUPXDZ-GJZGRUSLSA-N 2 1 307.438 0.483 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001733257586 1186204319 /nfs/dbraw/zinc/20/43/19/1186204319.db2.gz PLOKNFZDEYBNKQ-UHFFFAOYSA-N 2 1 318.421 0.860 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001733406090 1186260341 /nfs/dbraw/zinc/26/03/41/1186260341.db2.gz LSBWYMYGNZQNGL-KRWDZBQOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001733406090 1186260344 /nfs/dbraw/zinc/26/03/44/1186260344.db2.gz LSBWYMYGNZQNGL-KRWDZBQOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001733406090 1186260354 /nfs/dbraw/zinc/26/03/54/1186260354.db2.gz LSBWYMYGNZQNGL-KRWDZBQOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCOCC1 ZINC001733473365 1186281714 /nfs/dbraw/zinc/28/17/14/1186281714.db2.gz ZZNPEKCGLVYFHU-UHFFFAOYSA-N 2 1 309.454 0.997 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001733483400 1186291839 /nfs/dbraw/zinc/29/18/39/1186291839.db2.gz RXBJLNWFFXBERT-HOCLYGCPSA-N 2 1 315.433 0.795 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001733483399 1186292639 /nfs/dbraw/zinc/29/26/39/1186292639.db2.gz RXBJLNWFFXBERT-GOEBONIOSA-N 2 1 315.433 0.795 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001733488092 1186296347 /nfs/dbraw/zinc/29/63/47/1186296347.db2.gz KQMKRZIZRIDBKA-INIZCTEOSA-N 2 1 307.438 0.744 20 30 DCEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001733493269 1186302507 /nfs/dbraw/zinc/30/25/07/1186302507.db2.gz RCACRFOUYFINBR-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001733493269 1186302511 /nfs/dbraw/zinc/30/25/11/1186302511.db2.gz RCACRFOUYFINBR-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001733493269 1186302515 /nfs/dbraw/zinc/30/25/15/1186302515.db2.gz RCACRFOUYFINBR-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001733590718 1186349247 /nfs/dbraw/zinc/34/92/47/1186349247.db2.gz HSZDJEIGOADMFG-MRXNPFEDSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001733590718 1186349252 /nfs/dbraw/zinc/34/92/52/1186349252.db2.gz HSZDJEIGOADMFG-MRXNPFEDSA-N 2 1 304.394 0.158 20 30 DCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001733614798 1186368198 /nfs/dbraw/zinc/36/81/98/1186368198.db2.gz BYVSXIXOPYEEBK-MRXNPFEDSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001733729440 1186416659 /nfs/dbraw/zinc/41/66/59/1186416659.db2.gz GNLSVGQPHPIFOT-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C#CCC[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001733868139 1186481061 /nfs/dbraw/zinc/48/10/61/1186481061.db2.gz OAEXYTPIAUDXJV-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001733987255 1186515057 /nfs/dbraw/zinc/51/50/57/1186515057.db2.gz JYMMDPMPBPLRGK-CHWSQXEVSA-N 2 1 304.394 1.000 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001734201435 1186577576 /nfs/dbraw/zinc/57/75/76/1186577576.db2.gz KHILGGYHCVKJNW-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)C(C)(C)C1 ZINC001734493534 1186665501 /nfs/dbraw/zinc/66/55/01/1186665501.db2.gz CHENNOMLVSLMAE-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)C(C)(C)C1 ZINC001734493534 1186665502 /nfs/dbraw/zinc/66/55/02/1186665502.db2.gz CHENNOMLVSLMAE-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001734528316 1186677903 /nfs/dbraw/zinc/67/79/03/1186677903.db2.gz WGTXMHMCOWJXSA-JKSUJKDBSA-N 2 1 309.454 0.682 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001752518950 1188426682 /nfs/dbraw/zinc/42/66/82/1188426682.db2.gz YSVSHVAJWACKQY-QGZVFWFLSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001752518950 1188426683 /nfs/dbraw/zinc/42/66/83/1188426683.db2.gz YSVSHVAJWACKQY-QGZVFWFLSA-N 2 1 321.465 0.902 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001752825368 1188447408 /nfs/dbraw/zinc/44/74/08/1188447408.db2.gz QVZZQGPYNDAYGS-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001752825368 1188447411 /nfs/dbraw/zinc/44/74/11/1188447411.db2.gz QVZZQGPYNDAYGS-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001752825368 1188447413 /nfs/dbraw/zinc/44/74/13/1188447413.db2.gz QVZZQGPYNDAYGS-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001752825368 1188447415 /nfs/dbraw/zinc/44/74/15/1188447415.db2.gz QVZZQGPYNDAYGS-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752977087 1188470648 /nfs/dbraw/zinc/47/06/48/1188470648.db2.gz BVOXNXXRKQLKQL-HZPDHXFCSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001753025279 1188479013 /nfs/dbraw/zinc/47/90/13/1188479013.db2.gz QINLSKIVRAIPNC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001753025279 1188479014 /nfs/dbraw/zinc/47/90/14/1188479014.db2.gz QINLSKIVRAIPNC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001753025279 1188479015 /nfs/dbraw/zinc/47/90/15/1188479015.db2.gz QINLSKIVRAIPNC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001753025279 1188479016 /nfs/dbraw/zinc/47/90/16/1188479016.db2.gz QINLSKIVRAIPNC-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CCO)C(C)C)CC1 ZINC001753295117 1188559240 /nfs/dbraw/zinc/55/92/40/1188559240.db2.gz DNNFLVCKQHVFSN-UHFFFAOYSA-N 2 1 309.454 0.541 20 30 DCEDMP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001753458261 1188603328 /nfs/dbraw/zinc/60/33/28/1188603328.db2.gz CMPYGCXTRLXTPD-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001753458261 1188603331 /nfs/dbraw/zinc/60/33/31/1188603331.db2.gz CMPYGCXTRLXTPD-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001753458261 1188603334 /nfs/dbraw/zinc/60/33/34/1188603334.db2.gz CMPYGCXTRLXTPD-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001753458261 1188603337 /nfs/dbraw/zinc/60/33/37/1188603337.db2.gz CMPYGCXTRLXTPD-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001754619948 1188891964 /nfs/dbraw/zinc/89/19/64/1188891964.db2.gz JUNUFOBJQWXBQS-WMZOPIPTSA-N 2 1 319.449 0.703 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001755045281 1189004668 /nfs/dbraw/zinc/00/46/68/1189004668.db2.gz PJAAWTSPRWKWPD-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001755045281 1189004672 /nfs/dbraw/zinc/00/46/72/1189004672.db2.gz PJAAWTSPRWKWPD-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755045281 1189004676 /nfs/dbraw/zinc/00/46/76/1189004676.db2.gz PJAAWTSPRWKWPD-GJZGRUSLSA-N 2 1 324.469 0.409 20 30 DCEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001755135071 1189032879 /nfs/dbraw/zinc/03/28/79/1189032879.db2.gz XGKNWXHDPFFJCU-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001755135071 1189032883 /nfs/dbraw/zinc/03/28/83/1189032883.db2.gz XGKNWXHDPFFJCU-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755148089 1189035872 /nfs/dbraw/zinc/03/58/72/1189035872.db2.gz KEIFKYDIWUDAKN-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755199915 1189053660 /nfs/dbraw/zinc/05/36/60/1189053660.db2.gz AYXFRHQBYMAOCT-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755199915 1189053664 /nfs/dbraw/zinc/05/36/64/1189053664.db2.gz AYXFRHQBYMAOCT-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755199915 1189053668 /nfs/dbraw/zinc/05/36/68/1189053668.db2.gz AYXFRHQBYMAOCT-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC#CCOC ZINC001755328047 1189082340 /nfs/dbraw/zinc/08/23/40/1189082340.db2.gz NQAHMWIRQLJOLA-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC#CCOC ZINC001755328047 1189082345 /nfs/dbraw/zinc/08/23/45/1189082345.db2.gz NQAHMWIRQLJOLA-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC#CCOC ZINC001755328047 1189082350 /nfs/dbraw/zinc/08/23/50/1189082350.db2.gz NQAHMWIRQLJOLA-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001755694237 1189187674 /nfs/dbraw/zinc/18/76/74/1189187674.db2.gz VHENQFYUASCWGR-HIFRSBDPSA-N 2 1 306.410 0.973 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001755699319 1189188271 /nfs/dbraw/zinc/18/82/71/1189188271.db2.gz AZNAQGWQZCQKNN-PBHICJAKSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CCOC ZINC001755839435 1189232721 /nfs/dbraw/zinc/23/27/21/1189232721.db2.gz OROYLGWHRUGCMS-UHFFFAOYSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001089837806 751605905 /nfs/dbraw/zinc/60/59/05/751605905.db2.gz GJBPIPCBIOWUOH-QAETUUGQSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001089837806 751605913 /nfs/dbraw/zinc/60/59/13/751605913.db2.gz GJBPIPCBIOWUOH-QAETUUGQSA-N 2 1 312.417 0.994 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001105357444 748428688 /nfs/dbraw/zinc/42/86/88/748428688.db2.gz DIUMPRNZRUVYPJ-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001105357444 748428692 /nfs/dbraw/zinc/42/86/92/748428692.db2.gz DIUMPRNZRUVYPJ-UHFFFAOYSA-N 2 1 320.441 0.669 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168022680 749046673 /nfs/dbraw/zinc/04/66/73/749046673.db2.gz PYYRACYMWFNAAY-CABCVRRESA-N 2 1 322.453 0.401 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088043108 749206081 /nfs/dbraw/zinc/20/60/81/749206081.db2.gz ZBSZSUWVOQJHDB-CVEARBPZSA-N 2 1 300.406 0.995 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088043108 749206083 /nfs/dbraw/zinc/20/60/83/749206083.db2.gz ZBSZSUWVOQJHDB-CVEARBPZSA-N 2 1 300.406 0.995 20 30 DCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518817 750088064 /nfs/dbraw/zinc/08/80/64/750088064.db2.gz RQLYFEHLCGZNTK-XHSDSOJGSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518817 750088069 /nfs/dbraw/zinc/08/80/69/750088069.db2.gz RQLYFEHLCGZNTK-XHSDSOJGSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518817 750088072 /nfs/dbraw/zinc/08/80/72/750088072.db2.gz RQLYFEHLCGZNTK-XHSDSOJGSA-N 2 1 309.454 0.702 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3nccn32)[C@@H](O)C1 ZINC001083522309 750092398 /nfs/dbraw/zinc/09/23/98/750092398.db2.gz BJKCUKGQQAJAMC-MCIONIFRSA-N 2 1 304.394 0.498 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083522309 750092400 /nfs/dbraw/zinc/09/24/00/750092400.db2.gz BJKCUKGQQAJAMC-MCIONIFRSA-N 2 1 304.394 0.498 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083524898 750097947 /nfs/dbraw/zinc/09/79/47/750097947.db2.gz PWYWKKFBJFZEEL-PMPSAXMXSA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083524898 750097952 /nfs/dbraw/zinc/09/79/52/750097952.db2.gz PWYWKKFBJFZEEL-PMPSAXMXSA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083524898 750097959 /nfs/dbraw/zinc/09/79/59/750097959.db2.gz PWYWKKFBJFZEEL-PMPSAXMXSA-N 2 1 307.438 0.741 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083524898 750097964 /nfs/dbraw/zinc/09/79/64/750097964.db2.gz PWYWKKFBJFZEEL-PMPSAXMXSA-N 2 1 307.438 0.741 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219571 750275820 /nfs/dbraw/zinc/27/58/20/750275820.db2.gz UVTBLSLCJJUBFP-HUUCEWRRSA-N 2 1 305.422 0.047 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219571 750275815 /nfs/dbraw/zinc/27/58/15/750275815.db2.gz UVTBLSLCJJUBFP-HUUCEWRRSA-N 2 1 305.422 0.047 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083734194 751222340 /nfs/dbraw/zinc/22/23/40/751222340.db2.gz VKOKTSCXYXFIHX-IMJJTQAJSA-N 2 1 318.421 0.491 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083734194 751222343 /nfs/dbraw/zinc/22/23/43/751222343.db2.gz VKOKTSCXYXFIHX-IMJJTQAJSA-N 2 1 318.421 0.491 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107949943 752584030 /nfs/dbraw/zinc/58/40/30/752584030.db2.gz VQVVCRDKZXIOTE-WMZOPIPTSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107949943 752584041 /nfs/dbraw/zinc/58/40/41/752584041.db2.gz VQVVCRDKZXIOTE-WMZOPIPTSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077980411 752939704 /nfs/dbraw/zinc/93/97/04/752939704.db2.gz VKAORCMBZLSTOY-OWCLPIDISA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001045505846 753221023 /nfs/dbraw/zinc/22/10/23/753221023.db2.gz DNTVQQGWGAPBEI-SWKXRBFHSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001078666593 753333929 /nfs/dbraw/zinc/33/39/29/753333929.db2.gz WWOFMJBHWISMGF-LSDHHAIUSA-N 2 1 316.405 1.000 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001078666591 753334076 /nfs/dbraw/zinc/33/40/76/753334076.db2.gz WWOFMJBHWISMGF-GJZGRUSLSA-N 2 1 316.405 1.000 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081841 753471026 /nfs/dbraw/zinc/47/10/26/753471026.db2.gz KOGVNDFXZFBCKB-CVEARBPZSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081841 753471027 /nfs/dbraw/zinc/47/10/27/753471027.db2.gz KOGVNDFXZFBCKB-CVEARBPZSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081841 753471029 /nfs/dbraw/zinc/47/10/29/753471029.db2.gz KOGVNDFXZFBCKB-CVEARBPZSA-N 2 1 306.454 0.343 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407512 754254974 /nfs/dbraw/zinc/25/49/74/754254974.db2.gz IUVSDPUCQKLIGT-ULQDDVLXSA-N 2 1 321.465 0.491 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407512 754254975 /nfs/dbraw/zinc/25/49/75/754254975.db2.gz IUVSDPUCQKLIGT-ULQDDVLXSA-N 2 1 321.465 0.491 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407512 754254977 /nfs/dbraw/zinc/25/49/77/754254977.db2.gz IUVSDPUCQKLIGT-ULQDDVLXSA-N 2 1 321.465 0.491 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001047439804 754284287 /nfs/dbraw/zinc/28/42/87/754284287.db2.gz SEEFDGSNHBPZLO-IKGGRYGDSA-N 2 1 321.465 0.634 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439804 754284292 /nfs/dbraw/zinc/28/42/92/754284292.db2.gz SEEFDGSNHBPZLO-IKGGRYGDSA-N 2 1 321.465 0.634 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439804 754284297 /nfs/dbraw/zinc/28/42/97/754284297.db2.gz SEEFDGSNHBPZLO-IKGGRYGDSA-N 2 1 321.465 0.634 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001047553566 754386749 /nfs/dbraw/zinc/38/67/49/754386749.db2.gz LSXFZDTZMNVOFD-ULQDDVLXSA-N 2 1 321.465 0.776 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553566 754386756 /nfs/dbraw/zinc/38/67/56/754386756.db2.gz LSXFZDTZMNVOFD-ULQDDVLXSA-N 2 1 321.465 0.776 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553566 754386764 /nfs/dbraw/zinc/38/67/64/754386764.db2.gz LSXFZDTZMNVOFD-ULQDDVLXSA-N 2 1 321.465 0.776 20 30 DCEDMP C=CCN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052342 754502553 /nfs/dbraw/zinc/50/25/53/754502553.db2.gz CGVWBJWJKOLLHH-CABCVRRESA-N 2 1 318.425 0.290 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001048514137 754785404 /nfs/dbraw/zinc/78/54/04/754785404.db2.gz BNZIXAAVGCRHNO-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001048514137 754785408 /nfs/dbraw/zinc/78/54/08/754785408.db2.gz BNZIXAAVGCRHNO-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048514137 754785410 /nfs/dbraw/zinc/78/54/10/754785410.db2.gz BNZIXAAVGCRHNO-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048514137 754785414 /nfs/dbraw/zinc/78/54/14/754785414.db2.gz BNZIXAAVGCRHNO-YYIAUSFCSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCO)C2)CC1 ZINC001072095599 762352241 /nfs/dbraw/zinc/35/22/41/762352241.db2.gz LGPHEGWCHZHLCU-DOTOQJQBSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222412 755190862 /nfs/dbraw/zinc/19/08/62/755190862.db2.gz GWXVIEXOMYAUKA-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222412 755190863 /nfs/dbraw/zinc/19/08/63/755190863.db2.gz GWXVIEXOMYAUKA-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222412 755190864 /nfs/dbraw/zinc/19/08/64/755190864.db2.gz GWXVIEXOMYAUKA-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222412 755190865 /nfs/dbraw/zinc/19/08/65/755190865.db2.gz GWXVIEXOMYAUKA-OWCLPIDISA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908553 755449459 /nfs/dbraw/zinc/44/94/59/755449459.db2.gz JVLQMMMZFWMRDD-CVEARBPZSA-N 2 1 307.438 0.291 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908553 755449463 /nfs/dbraw/zinc/44/94/63/755449463.db2.gz JVLQMMMZFWMRDD-CVEARBPZSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947507 755881230 /nfs/dbraw/zinc/88/12/30/755881230.db2.gz RNSWPGDEHHVZPI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947507 755881236 /nfs/dbraw/zinc/88/12/36/755881236.db2.gz RNSWPGDEHHVZPI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947507 755881243 /nfs/dbraw/zinc/88/12/43/755881243.db2.gz RNSWPGDEHHVZPI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947507 755881249 /nfs/dbraw/zinc/88/12/49/755881249.db2.gz RNSWPGDEHHVZPI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2C)CC1 ZINC001080997905 756417369 /nfs/dbraw/zinc/41/73/69/756417369.db2.gz OMSKGCVQXALTCU-HLLBOEOZSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796380 756788523 /nfs/dbraw/zinc/78/85/23/756788523.db2.gz SBIDCTGBUDSRPT-ARFHVFGLSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796380 756788525 /nfs/dbraw/zinc/78/85/25/756788525.db2.gz SBIDCTGBUDSRPT-ARFHVFGLSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796380 756788527 /nfs/dbraw/zinc/78/85/27/756788527.db2.gz SBIDCTGBUDSRPT-ARFHVFGLSA-N 2 1 309.454 0.966 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081796380 756788528 /nfs/dbraw/zinc/78/85/28/756788528.db2.gz SBIDCTGBUDSRPT-ARFHVFGLSA-N 2 1 309.454 0.966 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001082053095 756908625 /nfs/dbraw/zinc/90/86/25/756908625.db2.gz XVUMJIWYSRTWRW-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082053095 756908627 /nfs/dbraw/zinc/90/86/27/756908627.db2.gz XVUMJIWYSRTWRW-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053095 756908629 /nfs/dbraw/zinc/90/86/29/756908629.db2.gz XVUMJIWYSRTWRW-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053095 756908632 /nfs/dbraw/zinc/90/86/32/756908632.db2.gz XVUMJIWYSRTWRW-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202839 757483535 /nfs/dbraw/zinc/48/35/35/757483535.db2.gz WFRGRYYICRPSLG-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202839 757483543 /nfs/dbraw/zinc/48/35/43/757483543.db2.gz WFRGRYYICRPSLG-IXDOHACOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176401 757551718 /nfs/dbraw/zinc/55/17/18/757551718.db2.gz QQWMFHNFWSGHKR-LUKYLMHMSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176401 757551722 /nfs/dbraw/zinc/55/17/22/757551722.db2.gz QQWMFHNFWSGHKR-LUKYLMHMSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176401 757551726 /nfs/dbraw/zinc/55/17/26/757551726.db2.gz QQWMFHNFWSGHKR-LUKYLMHMSA-N 2 1 319.449 0.652 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001083938656 757560298 /nfs/dbraw/zinc/56/02/98/757560298.db2.gz JAKHOQLYVAEOEI-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083938656 757560305 /nfs/dbraw/zinc/56/03/05/757560305.db2.gz JAKHOQLYVAEOEI-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938656 757560314 /nfs/dbraw/zinc/56/03/14/757560314.db2.gz JAKHOQLYVAEOEI-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938656 757560320 /nfs/dbraw/zinc/56/03/20/757560320.db2.gz JAKHOQLYVAEOEI-PMPSAXMXSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050525941 757797026 /nfs/dbraw/zinc/79/70/26/757797026.db2.gz ORBHEMUWBXJCSK-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745128 758008794 /nfs/dbraw/zinc/00/87/94/758008794.db2.gz JSBYDFDEDRKQHD-NVXWUHKLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090400749 758242341 /nfs/dbraw/zinc/24/23/41/758242341.db2.gz YCDOPGRLLBOOKW-HOTGVXAUSA-N 2 1 312.373 0.523 20 30 DCEDMP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995373 759098028 /nfs/dbraw/zinc/09/80/28/759098028.db2.gz CJYMNXWJADLLBX-IRXDYDNUSA-N 2 1 320.481 0.875 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731772 759247074 /nfs/dbraw/zinc/24/70/74/759247074.db2.gz KFLHJRXJCUOJRR-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731772 759247080 /nfs/dbraw/zinc/24/70/80/759247080.db2.gz KFLHJRXJCUOJRR-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731772 759247088 /nfs/dbraw/zinc/24/70/88/759247088.db2.gz KFLHJRXJCUOJRR-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086152294 759771353 /nfs/dbraw/zinc/77/13/53/759771353.db2.gz AAYGSDSLKVUAEJ-LQCZDEPNSA-N 2 1 305.422 0.520 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001086236668 759886839 /nfs/dbraw/zinc/88/68/39/759886839.db2.gz VYBSTSWZVBPOQY-OTVXOJSOSA-N 2 1 309.373 0.999 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124445 760437771 /nfs/dbraw/zinc/43/77/71/760437771.db2.gz IDTDMWYTOINXKR-HOTGVXAUSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292888 767960590 /nfs/dbraw/zinc/96/05/90/767960590.db2.gz YXTWZAVXJPIAAT-HOTGVXAUSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292888 767960596 /nfs/dbraw/zinc/96/05/96/767960596.db2.gz YXTWZAVXJPIAAT-HOTGVXAUSA-N 2 1 321.465 0.921 20 30 DCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292888 767960599 /nfs/dbraw/zinc/96/05/99/767960599.db2.gz YXTWZAVXJPIAAT-HOTGVXAUSA-N 2 1 321.465 0.921 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298658 760678466 /nfs/dbraw/zinc/67/84/66/760678466.db2.gz VGJHDWIYSHEQTG-VQFNDLOPSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109306082 761360747 /nfs/dbraw/zinc/36/07/47/761360747.db2.gz RFCFWMLMYPHEFY-MTSZKFMLSA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109306082 761360757 /nfs/dbraw/zinc/36/07/57/761360757.db2.gz RFCFWMLMYPHEFY-MTSZKFMLSA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109306082 761360767 /nfs/dbraw/zinc/36/07/67/761360767.db2.gz RFCFWMLMYPHEFY-MTSZKFMLSA-N 2 1 319.449 0.698 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109306082 761360776 /nfs/dbraw/zinc/36/07/76/761360776.db2.gz RFCFWMLMYPHEFY-MTSZKFMLSA-N 2 1 319.449 0.698 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754521 768035902 /nfs/dbraw/zinc/03/59/02/768035902.db2.gz BCAGBISONRAGAA-UHFFFAOYSA-N 2 1 307.438 0.819 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCC(C)C ZINC001129791218 763005626 /nfs/dbraw/zinc/00/56/26/763005626.db2.gz ZQGTVZVMESNRNT-INIZCTEOSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCC(C)C ZINC001129791218 763005631 /nfs/dbraw/zinc/00/56/31/763005631.db2.gz ZQGTVZVMESNRNT-INIZCTEOSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001099898670 763108701 /nfs/dbraw/zinc/10/87/01/763108701.db2.gz FXZACIHZQSYMGX-HOTGVXAUSA-N 2 1 316.405 0.093 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001099898670 763108705 /nfs/dbraw/zinc/10/87/05/763108705.db2.gz FXZACIHZQSYMGX-HOTGVXAUSA-N 2 1 316.405 0.093 20 30 DCEDMP C[C@H]1CN(O)C(=O)[C@H]1Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001171363227 768120895 /nfs/dbraw/zinc/12/08/95/768120895.db2.gz UYQOFAXWEXHYCO-CABZTGNLSA-N 2 1 306.370 0.052 20 30 DCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100401783 763550779 /nfs/dbraw/zinc/55/07/79/763550779.db2.gz KJPSGEQHNWCHSA-YMAMQOFZSA-N 2 1 305.426 0.484 20 30 DCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001100522780 763632345 /nfs/dbraw/zinc/63/23/45/763632345.db2.gz GKXNRWRXHRWCJY-KUNBBXKYSA-N 2 1 317.433 0.357 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387385 763794460 /nfs/dbraw/zinc/79/44/60/763794460.db2.gz NFBXUDBAIASVCI-UHFFFAOYSA-N 2 1 319.409 0.098 20 30 DCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519264 763842733 /nfs/dbraw/zinc/84/27/33/763842733.db2.gz BVECTRALDZDOCU-HCEZTOJASA-N 2 1 307.438 0.910 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101037752 763932291 /nfs/dbraw/zinc/93/22/91/763932291.db2.gz VUBZERSCFDQQTF-WLYUNCDWSA-N 2 1 324.469 0.502 20 30 DCEDMP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)c1nccn12 ZINC001101641217 764215048 /nfs/dbraw/zinc/21/50/48/764215048.db2.gz LFTCXOFZRJTBBN-AWEZNQCLSA-N 2 1 315.421 0.430 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132266725 764344914 /nfs/dbraw/zinc/34/49/14/764344914.db2.gz ZEEULSRPLRGRMC-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132266725 764344920 /nfs/dbraw/zinc/34/49/20/764344920.db2.gz ZEEULSRPLRGRMC-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292448 764581447 /nfs/dbraw/zinc/58/14/47/764581447.db2.gz NOPIOUXNSGTDHD-HZPDHXFCSA-N 2 1 309.454 0.662 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581073 764712208 /nfs/dbraw/zinc/71/22/08/764712208.db2.gz YGEGLYRKHYXLAA-IXDOHACOSA-N 2 1 321.465 0.662 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902473 765420504 /nfs/dbraw/zinc/42/05/04/765420504.db2.gz DKULILLDJNHUJE-RDJZCZTQSA-N 2 1 307.438 0.865 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902473 765420506 /nfs/dbraw/zinc/42/05/06/765420506.db2.gz DKULILLDJNHUJE-RDJZCZTQSA-N 2 1 307.438 0.865 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691974 766482100 /nfs/dbraw/zinc/48/21/00/766482100.db2.gz JEEJENAEHZHIEZ-DLBZAZTESA-N 2 1 321.465 0.682 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808686 766621289 /nfs/dbraw/zinc/62/12/89/766621289.db2.gz NLTVZHLVMVRZAL-LSDHHAIUSA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808686 766621294 /nfs/dbraw/zinc/62/12/94/766621294.db2.gz NLTVZHLVMVRZAL-LSDHHAIUSA-N 2 1 306.410 0.709 20 30 DCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001171235045 767083934 /nfs/dbraw/zinc/08/39/34/767083934.db2.gz CUWLCKAAISCETG-HOTGVXAUSA-N 2 1 319.453 0.711 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724893 767831877 /nfs/dbraw/zinc/83/18/77/767831877.db2.gz MUIWOVIVIMFSSA-UHFFFAOYSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149848676 768883425 /nfs/dbraw/zinc/88/34/25/768883425.db2.gz NEVYMTAOWQUXAW-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417951 769090653 /nfs/dbraw/zinc/09/06/53/769090653.db2.gz VBPZMPJKRDBFEH-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP N#Cc1cccc(CCC[NH+]2CCNCC[NH2+]CCNCC2)c1 ZINC001235870141 769953493 /nfs/dbraw/zinc/95/34/93/769953493.db2.gz OAQMIAUXDQWXAT-UHFFFAOYSA-N 2 1 315.465 0.575 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337794 770996867 /nfs/dbraw/zinc/99/68/67/770996867.db2.gz XXTYYYBHBMLIBM-JYJNAYRXSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001184331146 771776659 /nfs/dbraw/zinc/77/66/59/771776659.db2.gz IYMZEJVJJFUDFD-CQSZACIVSA-N 2 1 300.406 0.976 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001159356175 771900649 /nfs/dbraw/zinc/90/06/49/771900649.db2.gz UQYZOFKZFIDNFD-HUUCEWRRSA-N 2 1 324.469 0.647 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001159480669 771916467 /nfs/dbraw/zinc/91/64/67/771916467.db2.gz AWAPPTQDTLAWGW-BPQIPLTHSA-N 2 1 319.449 0.544 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160274945 772017831 /nfs/dbraw/zinc/01/78/31/772017831.db2.gz XTDQADWHTYGOPB-CABCVRRESA-N 2 1 322.453 0.095 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161649625 772259728 /nfs/dbraw/zinc/25/97/28/772259728.db2.gz PITVRSYRSHMBHG-MRXNPFEDSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191020281 772709341 /nfs/dbraw/zinc/70/93/41/772709341.db2.gz VCWOFYSDHCIRRZ-CQSZACIVSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191020281 772709344 /nfs/dbraw/zinc/70/93/44/772709344.db2.gz VCWOFYSDHCIRRZ-CQSZACIVSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191020281 772709348 /nfs/dbraw/zinc/70/93/48/772709348.db2.gz VCWOFYSDHCIRRZ-CQSZACIVSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191020281 772709351 /nfs/dbraw/zinc/70/93/51/772709351.db2.gz VCWOFYSDHCIRRZ-CQSZACIVSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360068 772758059 /nfs/dbraw/zinc/75/80/59/772758059.db2.gz KNQDWJSNYIHXME-OAHLLOKOSA-N 2 1 304.394 0.374 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360068 772758060 /nfs/dbraw/zinc/75/80/60/772758060.db2.gz KNQDWJSNYIHXME-OAHLLOKOSA-N 2 1 304.394 0.374 20 30 DCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814633 772863374 /nfs/dbraw/zinc/86/33/74/772863374.db2.gz MJPOMRNDICUIEU-HNNXBMFYSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204799005 772962560 /nfs/dbraw/zinc/96/25/60/772962560.db2.gz QHSHMWKWQSVWIV-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001205345594 772988131 /nfs/dbraw/zinc/98/81/31/772988131.db2.gz RYNICBLRCSFSRD-HOTGVXAUSA-N 2 1 305.422 0.311 20 30 DCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193500261 773069543 /nfs/dbraw/zinc/06/95/43/773069543.db2.gz REHXVKKZRDOHRZ-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206927811 773136689 /nfs/dbraw/zinc/13/66/89/773136689.db2.gz RIUQNALWVIBLHK-OAHLLOKOSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004954 773369150 /nfs/dbraw/zinc/36/91/50/773369150.db2.gz MJBQCMVJFSSVDS-UKRRQHHQSA-N 2 1 306.410 0.831 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004954 773369153 /nfs/dbraw/zinc/36/91/53/773369153.db2.gz MJBQCMVJFSSVDS-UKRRQHHQSA-N 2 1 306.410 0.831 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208423741 773457808 /nfs/dbraw/zinc/45/78/08/773457808.db2.gz OJWIQFZFJNSMFP-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208447964 773464649 /nfs/dbraw/zinc/46/46/49/773464649.db2.gz RVTQYLKMCWODSK-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC[C@H](C)O)CC1 ZINC001196191796 773546453 /nfs/dbraw/zinc/54/64/53/773546453.db2.gz MWRUXVRMNSIFQS-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCC[C@H](C)O)CC1 ZINC001196191796 773546460 /nfs/dbraw/zinc/54/64/60/773546460.db2.gz MWRUXVRMNSIFQS-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC[C@H](C)O)CC1 ZINC001196191796 773546466 /nfs/dbraw/zinc/54/64/66/773546466.db2.gz MWRUXVRMNSIFQS-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC[C@H](C)O)CC1 ZINC001196191796 773546473 /nfs/dbraw/zinc/54/64/73/773546473.db2.gz MWRUXVRMNSIFQS-IRXDYDNUSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196184741 773554196 /nfs/dbraw/zinc/55/41/96/773554196.db2.gz HMBMRSKNWJNOAU-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196184741 773554200 /nfs/dbraw/zinc/55/42/00/773554200.db2.gz HMBMRSKNWJNOAU-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196184741 773554204 /nfs/dbraw/zinc/55/42/04/773554204.db2.gz HMBMRSKNWJNOAU-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210782896 773736265 /nfs/dbraw/zinc/73/62/65/773736265.db2.gz PQCSQUJWABHBTL-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211090726 773769349 /nfs/dbraw/zinc/76/93/49/773769349.db2.gz LHJGWVUZJYHJPO-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)N(C)C)C1 ZINC001197689236 773783680 /nfs/dbraw/zinc/78/36/80/773783680.db2.gz HKVAGXUXASSPQV-NUJGCVRESA-N 2 1 315.417 0.258 20 30 DCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199942929 774226716 /nfs/dbraw/zinc/22/67/16/774226716.db2.gz BJLNCPMVPSSCIR-OAHLLOKOSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942929 774226718 /nfs/dbraw/zinc/22/67/18/774226718.db2.gz BJLNCPMVPSSCIR-OAHLLOKOSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078569 774689818 /nfs/dbraw/zinc/68/98/18/774689818.db2.gz VIFIEENVVSKMKU-CABCVRRESA-N 2 1 309.454 0.988 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001114368427 774817165 /nfs/dbraw/zinc/81/71/65/774817165.db2.gz LQMISXRMRLNHTP-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001114368427 774817174 /nfs/dbraw/zinc/81/71/74/774817174.db2.gz LQMISXRMRLNHTP-VVLHAWIVSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091082 774993255 /nfs/dbraw/zinc/99/32/55/774993255.db2.gz AYFIXQFINHUDLY-PMPSAXMXSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091082 774993260 /nfs/dbraw/zinc/99/32/60/774993260.db2.gz AYFIXQFINHUDLY-PMPSAXMXSA-N 2 1 307.438 0.291 20 30 DCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095983 774995097 /nfs/dbraw/zinc/99/50/97/774995097.db2.gz LQIJIHCWMIKBQQ-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095983 774995101 /nfs/dbraw/zinc/99/51/01/774995101.db2.gz LQIJIHCWMIKBQQ-OWCLPIDISA-N 2 1 309.454 0.844 20 30 DCEDMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC#CCOC)C[C@H]21 ZINC001221657453 775167366 /nfs/dbraw/zinc/16/73/66/775167366.db2.gz XEUVRTCDTHREJZ-HZPDHXFCSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC#CCOC)C[C@H]21 ZINC001221657453 775167369 /nfs/dbraw/zinc/16/73/69/775167369.db2.gz XEUVRTCDTHREJZ-HZPDHXFCSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC#CCOC)C[C@H]21 ZINC001221657453 775167371 /nfs/dbraw/zinc/16/73/71/775167371.db2.gz XEUVRTCDTHREJZ-HZPDHXFCSA-N 2 1 321.465 0.899 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC#CCOC)C[C@H]21 ZINC001221657453 775167374 /nfs/dbraw/zinc/16/73/74/775167374.db2.gz XEUVRTCDTHREJZ-HZPDHXFCSA-N 2 1 321.465 0.899 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226608456 775845055 /nfs/dbraw/zinc/84/50/55/775845055.db2.gz IIJRAEUWSADTCM-HIFRSBDPSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111407904 775845731 /nfs/dbraw/zinc/84/57/31/775845731.db2.gz ZCNHDRVUUVSJBS-FPCVCCKLSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407904 775845732 /nfs/dbraw/zinc/84/57/32/775845732.db2.gz ZCNHDRVUUVSJBS-FPCVCCKLSA-N 2 1 307.438 0.862 20 30 DCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407904 775845741 /nfs/dbraw/zinc/84/57/41/775845741.db2.gz ZCNHDRVUUVSJBS-FPCVCCKLSA-N 2 1 307.438 0.862 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028932 775914149 /nfs/dbraw/zinc/91/41/49/775914149.db2.gz UHMLKSIMUSUOSW-KLHDSHLOSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028932 775914156 /nfs/dbraw/zinc/91/41/56/775914156.db2.gz UHMLKSIMUSUOSW-KLHDSHLOSA-N 2 1 307.438 0.746 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001229186720 776168318 /nfs/dbraw/zinc/16/83/18/776168318.db2.gz YRZLUZPKPNOUGQ-DZGCQCFKSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001229186720 776168320 /nfs/dbraw/zinc/16/83/20/776168320.db2.gz YRZLUZPKPNOUGQ-DZGCQCFKSA-N 2 1 322.453 0.067 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041744206 777464597 /nfs/dbraw/zinc/46/45/97/777464597.db2.gz YIQDZVGZTQGHGE-KRWDZBQOSA-N 2 1 305.422 0.266 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041744206 777464604 /nfs/dbraw/zinc/46/46/04/777464604.db2.gz YIQDZVGZTQGHGE-KRWDZBQOSA-N 2 1 305.422 0.266 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041743532 777465173 /nfs/dbraw/zinc/46/51/73/777465173.db2.gz MPGJGYYHJQHLNF-SFHVURJKSA-N 2 1 319.449 0.656 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041743532 777465177 /nfs/dbraw/zinc/46/51/77/777465177.db2.gz MPGJGYYHJQHLNF-SFHVURJKSA-N 2 1 319.449 0.656 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317655270 945148610 /nfs/dbraw/zinc/14/86/10/945148610.db2.gz PAEAVNQSQSRHAB-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001266272292 939038833 /nfs/dbraw/zinc/03/88/33/939038833.db2.gz ZAAQVNPHTQNXSX-MRXNPFEDSA-N 2 1 310.486 0.883 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001266288478 939051350 /nfs/dbraw/zinc/05/13/50/939051350.db2.gz YEXSGAZQFBHWOU-UHFFFAOYSA-N 2 1 305.426 0.501 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266413286 939110714 /nfs/dbraw/zinc/11/07/14/939110714.db2.gz LMPWLNNWUSOGEW-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266413286 939110718 /nfs/dbraw/zinc/11/07/18/939110718.db2.gz LMPWLNNWUSOGEW-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267213630 939389614 /nfs/dbraw/zinc/38/96/14/939389614.db2.gz SFDKXRVINSAQRH-ZNMIVQPWSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267213630 939389616 /nfs/dbraw/zinc/38/96/16/939389616.db2.gz SFDKXRVINSAQRH-ZNMIVQPWSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267213630 939389618 /nfs/dbraw/zinc/38/96/18/939389618.db2.gz SFDKXRVINSAQRH-ZNMIVQPWSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267213630 939389619 /nfs/dbraw/zinc/38/96/19/939389619.db2.gz SFDKXRVINSAQRH-ZNMIVQPWSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCOCC)C1 ZINC001481094925 939558169 /nfs/dbraw/zinc/55/81/69/939558169.db2.gz CRNHOLFNFZRMAD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCOCC)C1 ZINC001481094925 939558171 /nfs/dbraw/zinc/55/81/71/939558171.db2.gz CRNHOLFNFZRMAD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCOCC)C1 ZINC001481094925 939558173 /nfs/dbraw/zinc/55/81/73/939558173.db2.gz CRNHOLFNFZRMAD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCOCC)C1 ZINC001481094925 939558176 /nfs/dbraw/zinc/55/81/76/939558176.db2.gz CRNHOLFNFZRMAD-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267657717 939615802 /nfs/dbraw/zinc/61/58/02/939615802.db2.gz CTBZDTBLMDLYQR-LSDHHAIUSA-N 2 1 324.469 0.409 20 30 DCEDMP COCC#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001268215577 939993915 /nfs/dbraw/zinc/99/39/15/939993915.db2.gz PPUZYIZDUMERNO-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001268215577 939993916 /nfs/dbraw/zinc/99/39/16/939993916.db2.gz PPUZYIZDUMERNO-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001268215577 939993921 /nfs/dbraw/zinc/99/39/21/939993921.db2.gz PPUZYIZDUMERNO-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001268215577 939993926 /nfs/dbraw/zinc/99/39/26/939993926.db2.gz PPUZYIZDUMERNO-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001268215577 939993930 /nfs/dbraw/zinc/99/39/30/939993930.db2.gz PPUZYIZDUMERNO-ULQDDVLXSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC#CCOC)C2)C1 ZINC001318272951 945307452 /nfs/dbraw/zinc/30/74/52/945307452.db2.gz HVBIWMLWSMWZMD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC#CCOC)C2)C1 ZINC001318272951 945307459 /nfs/dbraw/zinc/30/74/59/945307459.db2.gz HVBIWMLWSMWZMD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC#CCOC)C2)C1 ZINC001318272951 945307468 /nfs/dbraw/zinc/30/74/68/945307468.db2.gz HVBIWMLWSMWZMD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#CCOC)C2)C1 ZINC001318272951 945307479 /nfs/dbraw/zinc/30/74/79/945307479.db2.gz HVBIWMLWSMWZMD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001269339074 940687189 /nfs/dbraw/zinc/68/71/89/940687189.db2.gz JKBVMFUSYYBXAL-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001269339074 940687192 /nfs/dbraw/zinc/68/71/92/940687192.db2.gz JKBVMFUSYYBXAL-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001269339074 940687194 /nfs/dbraw/zinc/68/71/94/940687194.db2.gz JKBVMFUSYYBXAL-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001269339074 940687199 /nfs/dbraw/zinc/68/71/99/940687199.db2.gz JKBVMFUSYYBXAL-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001270260609 940867691 /nfs/dbraw/zinc/86/76/91/940867691.db2.gz DCKXYNYPUGAJLR-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001270260609 940867693 /nfs/dbraw/zinc/86/76/93/940867693.db2.gz DCKXYNYPUGAJLR-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001271154110 941293262 /nfs/dbraw/zinc/29/32/62/941293262.db2.gz YKXQGEAPROPFFZ-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001271154110 941293264 /nfs/dbraw/zinc/29/32/64/941293264.db2.gz YKXQGEAPROPFFZ-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001271154110 941293266 /nfs/dbraw/zinc/29/32/66/941293266.db2.gz YKXQGEAPROPFFZ-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001271209168 941322928 /nfs/dbraw/zinc/32/29/28/941322928.db2.gz MDWLIZWWWCPICA-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271209168 941322933 /nfs/dbraw/zinc/32/29/33/941322933.db2.gz MDWLIZWWWCPICA-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271209168 941322937 /nfs/dbraw/zinc/32/29/37/941322937.db2.gz MDWLIZWWWCPICA-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001271228309 941329268 /nfs/dbraw/zinc/32/92/68/941329268.db2.gz KVTQUZMTUHEZDK-SFHVURJKSA-N 2 1 321.465 0.829 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001271964834 941493837 /nfs/dbraw/zinc/49/38/37/941493837.db2.gz GGPCXFGUGSKDQE-WMLDXEAASA-N 2 1 318.421 0.575 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272034317 941537545 /nfs/dbraw/zinc/53/75/45/941537545.db2.gz NUTICHVGLCNYBF-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001272151734 941755345 /nfs/dbraw/zinc/75/53/45/941755345.db2.gz AJORCYZOSHWNNZ-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001272151734 941755346 /nfs/dbraw/zinc/75/53/46/941755346.db2.gz AJORCYZOSHWNNZ-AWEZNQCLSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001496822399 941836545 /nfs/dbraw/zinc/83/65/45/941836545.db2.gz VWKNAARWNKQKCE-HUUCEWRRSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001496822399 941836551 /nfs/dbraw/zinc/83/65/51/941836551.db2.gz VWKNAARWNKQKCE-HUUCEWRRSA-N 2 1 324.469 0.504 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483259767 942215364 /nfs/dbraw/zinc/21/53/64/942215364.db2.gz NPKNXPSTMISHDY-XQLPTFJDSA-N 2 1 324.469 0.502 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668733 942448552 /nfs/dbraw/zinc/44/85/52/942448552.db2.gz DGICPSDYKBQJKX-OWCLPIDISA-N 2 1 307.438 0.598 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC#CCOC)C2)C1 ZINC001483848459 942975332 /nfs/dbraw/zinc/97/53/32/942975332.db2.gz UQVXLYJLQBSRNH-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@]2(CC[N@H+](CC#CCOC)C2)C1 ZINC001483848459 942975337 /nfs/dbraw/zinc/97/53/37/942975337.db2.gz UQVXLYJLQBSRNH-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@]2(CC[N@@H+](CC#CCOC)C2)C1 ZINC001483848459 942975343 /nfs/dbraw/zinc/97/53/43/942975343.db2.gz UQVXLYJLQBSRNH-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484423772 943369940 /nfs/dbraw/zinc/36/99/40/943369940.db2.gz UESLDHSFPARLFO-OAHLLOKOSA-N 2 1 306.454 0.132 20 30 DCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484437241 943382306 /nfs/dbraw/zinc/38/23/06/943382306.db2.gz DWYFKNSUWAVOPW-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484437241 943382311 /nfs/dbraw/zinc/38/23/11/943382311.db2.gz DWYFKNSUWAVOPW-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484437241 943382315 /nfs/dbraw/zinc/38/23/15/943382315.db2.gz DWYFKNSUWAVOPW-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001484525641 943442204 /nfs/dbraw/zinc/44/22/04/943442204.db2.gz RWANNRBLHNLMDZ-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001484525641 943442208 /nfs/dbraw/zinc/44/22/08/943442208.db2.gz RWANNRBLHNLMDZ-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001484573920 943455253 /nfs/dbraw/zinc/45/52/53/943455253.db2.gz JPYSTGNFLFPQJI-QAQDUYKDSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001484725928 943535389 /nfs/dbraw/zinc/53/53/89/943535389.db2.gz GYVRUFLUMZRQQK-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001484725928 943535390 /nfs/dbraw/zinc/53/53/90/943535390.db2.gz GYVRUFLUMZRQQK-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001484725928 943535393 /nfs/dbraw/zinc/53/53/93/943535393.db2.gz GYVRUFLUMZRQQK-HNNXBMFYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001485008377 943652619 /nfs/dbraw/zinc/65/26/19/943652619.db2.gz WQXFSYZNCYFXST-UHFFFAOYSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001485102497 943693391 /nfs/dbraw/zinc/69/33/91/943693391.db2.gz HODXUNPOZLCPCY-SLTAFYQDSA-N 2 1 300.406 0.872 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485304189 943829878 /nfs/dbraw/zinc/82/98/78/943829878.db2.gz UJUXEMLCOYVZPA-GDBMZVCRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485304190 943831106 /nfs/dbraw/zinc/83/11/06/943831106.db2.gz UJUXEMLCOYVZPA-GOEBONIOSA-N 2 1 307.438 0.415 20 30 DCEDMP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(C#N)cc1O)C2 ZINC001276492884 944191100 /nfs/dbraw/zinc/19/11/00/944191100.db2.gz BIHGWHTYUPGWJO-UHFFFAOYSA-N 2 1 300.406 0.943 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329955 944260963 /nfs/dbraw/zinc/26/09/63/944260963.db2.gz JSXNMQCFMCUAJG-HUUCEWRRSA-N 2 1 305.422 0.169 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329955 944260967 /nfs/dbraw/zinc/26/09/67/944260967.db2.gz JSXNMQCFMCUAJG-HUUCEWRRSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CCN1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887785 944300753 /nfs/dbraw/zinc/30/07/53/944300753.db2.gz KAWLTRWBLYFZSD-QGZVFWFLSA-N 2 1 305.422 0.265 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001486302285 944744843 /nfs/dbraw/zinc/74/48/43/944744843.db2.gz DDKIPAONDYKUAQ-CQSZACIVSA-N 2 1 308.426 0.992 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317135898 944817530 /nfs/dbraw/zinc/81/75/30/944817530.db2.gz TZUIOTSNVIWMGL-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001317198278 944846527 /nfs/dbraw/zinc/84/65/27/944846527.db2.gz FAXKXRCROQWRQR-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001317198278 944846535 /nfs/dbraw/zinc/84/65/35/944846535.db2.gz FAXKXRCROQWRQR-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001486476925 944912613 /nfs/dbraw/zinc/91/26/13/944912613.db2.gz TUKYJGNCDWKVKA-WLYUNCDWSA-N 2 1 322.453 0.209 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001317379952 944946754 /nfs/dbraw/zinc/94/67/54/944946754.db2.gz VNEJEGSPDQVSHI-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001317382728 944948124 /nfs/dbraw/zinc/94/81/24/944948124.db2.gz GWTZMCSGWDCVJQ-CVEARBPZSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001318525529 945394648 /nfs/dbraw/zinc/39/46/48/945394648.db2.gz XQXSUMWCCHAQRZ-LSDHHAIUSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nccn1C ZINC001319196183 945517659 /nfs/dbraw/zinc/51/76/59/945517659.db2.gz LMBJOYGTJBTHHM-CABCVRRESA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nccn1C ZINC001319196183 945517669 /nfs/dbraw/zinc/51/76/69/945517669.db2.gz LMBJOYGTJBTHHM-CABCVRRESA-N 2 1 317.437 0.360 20 30 DCEDMP C=CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001320084723 945735375 /nfs/dbraw/zinc/73/53/75/945735375.db2.gz KJYKNLQTPRVZCM-CYBMUJFWSA-N 2 1 321.425 0.272 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001320272865 945798823 /nfs/dbraw/zinc/79/88/23/945798823.db2.gz JTBKSSDTHKUXKJ-CJNGLKHVSA-N 2 1 315.433 0.842 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCn1cccn1 ZINC001321097907 946165584 /nfs/dbraw/zinc/16/55/84/946165584.db2.gz REXNJNFRYPLXRL-CWDCEQMOSA-N 2 1 315.421 0.243 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCn1cccn1 ZINC001321097907 946165588 /nfs/dbraw/zinc/16/55/88/946165588.db2.gz REXNJNFRYPLXRL-CWDCEQMOSA-N 2 1 315.421 0.243 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001278797709 946414634 /nfs/dbraw/zinc/41/46/34/946414634.db2.gz LGZJSWSUPUZTQF-IRXDYDNUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001273277672 946414789 /nfs/dbraw/zinc/41/47/89/946414789.db2.gz WWFNXVZRNMEZKL-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001411059433 947286047 /nfs/dbraw/zinc/28/60/47/947286047.db2.gz MFLYZNTXDQFYQP-CHWSQXEVSA-N 2 1 303.834 0.632 20 30 DCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOCC)CC1 ZINC001324439057 947426100 /nfs/dbraw/zinc/42/61/00/947426100.db2.gz FMKFDNJZXWALRV-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCO)CC1 ZINC001324432434 947426216 /nfs/dbraw/zinc/42/62/16/947426216.db2.gz VHVRXRRZMCXUGB-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001325100389 947652479 /nfs/dbraw/zinc/65/24/79/947652479.db2.gz ADPZROYSDADPMD-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001325100389 947652491 /nfs/dbraw/zinc/65/24/91/947652491.db2.gz ADPZROYSDADPMD-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001325102978 947656120 /nfs/dbraw/zinc/65/61/20/947656120.db2.gz WLWNEILOQKJECD-INIZCTEOSA-N 2 1 306.410 0.862 20 30 DCEDMP CC#CC[C@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001262570681 947730180 /nfs/dbraw/zinc/73/01/80/947730180.db2.gz BRGBILHOQQIPLV-MSOLQXFVSA-N 2 1 302.418 0.987 20 30 DCEDMP CC#CC[C@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001262570681 947730183 /nfs/dbraw/zinc/73/01/83/947730183.db2.gz BRGBILHOQQIPLV-MSOLQXFVSA-N 2 1 302.418 0.987 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001327148940 948406953 /nfs/dbraw/zinc/40/69/53/948406953.db2.gz WORBHDDHNLLAJA-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001327638346 948580997 /nfs/dbraw/zinc/58/09/97/948580997.db2.gz HQKKNLURJMHNSI-UHFFFAOYSA-N 2 1 307.438 0.749 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264473341 948985050 /nfs/dbraw/zinc/98/50/50/948985050.db2.gz GCHHOGGHLAXLDS-ARFHVFGLSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001328673007 949017067 /nfs/dbraw/zinc/01/70/67/949017067.db2.gz VXSYFLVILSEPHV-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264635095 949038807 /nfs/dbraw/zinc/03/88/07/949038807.db2.gz WNTRHGRTONAPHS-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001264634145 949042992 /nfs/dbraw/zinc/04/29/92/949042992.db2.gz KHHFXVSGSMNDSD-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264634145 949043008 /nfs/dbraw/zinc/04/30/08/949043008.db2.gz KHHFXVSGSMNDSD-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001264634145 949043027 /nfs/dbraw/zinc/04/30/27/949043027.db2.gz KHHFXVSGSMNDSD-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001488683517 949064213 /nfs/dbraw/zinc/06/42/13/949064213.db2.gz IKYGSBHREGVWLY-HNNXBMFYSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001264727536 949088058 /nfs/dbraw/zinc/08/80/58/949088058.db2.gz OAQQGRRVMMCQNV-HZSPNIEDSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001264727536 949088086 /nfs/dbraw/zinc/08/80/86/949088086.db2.gz OAQQGRRVMMCQNV-HZSPNIEDSA-N 2 1 310.442 0.208 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001488770617 949165458 /nfs/dbraw/zinc/16/54/58/949165458.db2.gz BXAFBMMHTVTUFJ-KFWWJZLASA-N 2 1 322.453 0.115 20 30 DCEDMP COCC#CC[NH2+]CC1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001328885011 949168264 /nfs/dbraw/zinc/16/82/64/949168264.db2.gz GKTKCWLBEBEQOV-UHFFFAOYSA-N 2 1 304.394 0.326 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001488876586 949341545 /nfs/dbraw/zinc/34/15/45/949341545.db2.gz RDIBEPKDSLVIFF-BQFCYCMXSA-N 2 1 319.449 0.607 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001489022119 949441018 /nfs/dbraw/zinc/44/10/18/949441018.db2.gz DFIDKIKHIJBGFC-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001489051064 949478691 /nfs/dbraw/zinc/47/86/91/949478691.db2.gz ZZLMKHUJMXJCDD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001265261692 949507320 /nfs/dbraw/zinc/50/73/20/949507320.db2.gz QSHVYRGNSZZNAR-UHFFFAOYSA-N 2 1 318.465 0.372 20 30 DCEDMP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001265323224 949607883 /nfs/dbraw/zinc/60/78/83/949607883.db2.gz FZCLUQLYORHUCI-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001265544304 949757294 /nfs/dbraw/zinc/75/72/94/949757294.db2.gz HFWBCCNXPNQAPU-TWMKSMIVSA-N 2 1 319.449 0.890 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265707922 949885534 /nfs/dbraw/zinc/88/55/34/949885534.db2.gz HDFZBXPTZOKYFM-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265707922 949885555 /nfs/dbraw/zinc/88/55/55/949885555.db2.gz HDFZBXPTZOKYFM-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001265725754 949905796 /nfs/dbraw/zinc/90/57/96/949905796.db2.gz JMMAMZMMVISLPG-QMIVOQANSA-N 2 1 322.453 0.064 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266110755 950385840 /nfs/dbraw/zinc/38/58/40/950385840.db2.gz OMAGZDGIJWHMHJ-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266110755 950385858 /nfs/dbraw/zinc/38/58/58/950385858.db2.gz OMAGZDGIJWHMHJ-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001279443260 950575297 /nfs/dbraw/zinc/57/52/97/950575297.db2.gz MMMGJHPMEHMTLJ-OAHLLOKOSA-N 2 1 318.421 0.452 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001279810163 950703665 /nfs/dbraw/zinc/70/36/65/950703665.db2.gz OPXLARPAVIIQDI-OAHLLOKOSA-N 2 1 320.437 0.741 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001490466910 950707130 /nfs/dbraw/zinc/70/71/30/950707130.db2.gz LXFWGPAAEGVGJV-KRWDZBQOSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001490476044 950723029 /nfs/dbraw/zinc/72/30/29/950723029.db2.gz ZGWCCVXNYDEVDR-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP C=C(Cl)C[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001279901772 950724756 /nfs/dbraw/zinc/72/47/56/950724756.db2.gz QQQYLPCHDOHARI-UHFFFAOYSA-N 2 1 300.790 0.355 20 30 DCEDMP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001490494362 950747506 /nfs/dbraw/zinc/74/75/06/950747506.db2.gz HAUKRPIKRUOZKF-INIZCTEOSA-N 2 1 306.454 0.228 20 30 DCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001330956424 950789449 /nfs/dbraw/zinc/78/94/49/950789449.db2.gz YIOGHSGUPNHGBI-HZPDHXFCSA-N 2 1 309.454 0.853 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001490517020 950841611 /nfs/dbraw/zinc/84/16/11/950841611.db2.gz VRUGXBDXIUVQLU-IYBDPMFKSA-N 2 1 308.470 0.779 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001490579430 950900472 /nfs/dbraw/zinc/90/04/72/950900472.db2.gz PWRQRWCWBHPGSE-OAHLLOKOSA-N 2 1 322.453 0.355 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001490579430 950900480 /nfs/dbraw/zinc/90/04/80/950900480.db2.gz PWRQRWCWBHPGSE-OAHLLOKOSA-N 2 1 322.453 0.355 20 30 DCEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001331289681 951061846 /nfs/dbraw/zinc/06/18/46/951061846.db2.gz MYOWUOQPHLKOKD-IRXDYDNUSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001331289681 951061860 /nfs/dbraw/zinc/06/18/60/951061860.db2.gz MYOWUOQPHLKOKD-IRXDYDNUSA-N 2 1 301.434 0.934 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001280770699 951078971 /nfs/dbraw/zinc/07/89/71/951078971.db2.gz VWCHWMIOVZZGCD-INIZCTEOSA-N 2 1 319.449 0.703 20 30 DCEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001331788600 951324129 /nfs/dbraw/zinc/32/41/29/951324129.db2.gz WVPKZDIKFZPBEV-KGLIPLIRSA-N 2 1 306.410 0.397 20 30 DCEDMP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274134196 951441007 /nfs/dbraw/zinc/44/10/07/951441007.db2.gz QELYZWXILRZILG-VBROQKIQSA-N 2 1 308.426 0.035 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332437877 951644492 /nfs/dbraw/zinc/64/44/92/951644492.db2.gz OAPKISXGUYQPOV-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001362077257 958699674 /nfs/dbraw/zinc/69/96/74/958699674.db2.gz JOLCXHRZIUBHLM-HUUCEWRRSA-N 2 1 310.442 0.526 20 30 DCEDMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491675284 959117278 /nfs/dbraw/zinc/11/72/78/959117278.db2.gz ZAVJYBDXHROFCG-WDEREUQCSA-N 2 1 304.232 0.941 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC#CCOC ZINC001316740402 960128476 /nfs/dbraw/zinc/12/84/76/960128476.db2.gz IUKULVFZYLHRCF-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC#CCOC ZINC001316740402 960128480 /nfs/dbraw/zinc/12/84/80/960128480.db2.gz IUKULVFZYLHRCF-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC#CCOC ZINC001316740402 960128483 /nfs/dbraw/zinc/12/84/83/960128483.db2.gz IUKULVFZYLHRCF-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC#CC[NH+](C)C ZINC001313439956 960304952 /nfs/dbraw/zinc/30/49/52/960304952.db2.gz ZADNNBFHECJJOZ-CQSZACIVSA-N 2 1 310.442 0.038 20 30 DCEDMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379365001 962739601 /nfs/dbraw/zinc/73/96/01/962739601.db2.gz CQVWQXMLBAWPPN-CVEARBPZSA-N 2 1 316.405 0.219 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379365001 962739614 /nfs/dbraw/zinc/73/96/14/962739614.db2.gz CQVWQXMLBAWPPN-CVEARBPZSA-N 2 1 316.405 0.219 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001505412152 1016218859 /nfs/dbraw/zinc/21/88/59/1016218859.db2.gz RNWKBUHLSOUJPY-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001507452206 1016336093 /nfs/dbraw/zinc/33/60/93/1016336093.db2.gz ITMLFNRHODMGKS-LSDHHAIUSA-N 2 1 307.438 0.415 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402287891 1001179259 /nfs/dbraw/zinc/17/92/59/1001179259.db2.gz KKHYWOMBGXUOMH-OCCSQVGLSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402287891 1001179244 /nfs/dbraw/zinc/17/92/44/1001179244.db2.gz KKHYWOMBGXUOMH-OCCSQVGLSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402287891 1001179249 /nfs/dbraw/zinc/17/92/49/1001179249.db2.gz KKHYWOMBGXUOMH-OCCSQVGLSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402287891 1001179250 /nfs/dbraw/zinc/17/92/50/1001179250.db2.gz KKHYWOMBGXUOMH-OCCSQVGLSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402287891 1001179253 /nfs/dbraw/zinc/17/92/53/1001179253.db2.gz KKHYWOMBGXUOMH-OCCSQVGLSA-N 2 1 301.818 0.244 20 30 DCEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001406246500 1003522967 /nfs/dbraw/zinc/52/29/67/1003522967.db2.gz AWJNSSYIIFTWII-JKSUJKDBSA-N 2 1 316.405 0.219 20 30 DCEDMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406340176 1003620769 /nfs/dbraw/zinc/62/07/69/1003620769.db2.gz WHEJGQHUSUDVHB-CJNGLKHVSA-N 2 1 316.405 0.483 20 30 DCEDMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406340176 1003620772 /nfs/dbraw/zinc/62/07/72/1003620772.db2.gz WHEJGQHUSUDVHB-CJNGLKHVSA-N 2 1 316.405 0.483 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506040618 1016936656 /nfs/dbraw/zinc/93/66/56/1016936656.db2.gz CDUUBSDDNHELBS-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506040618 1016936673 /nfs/dbraw/zinc/93/66/73/1016936673.db2.gz CDUUBSDDNHELBS-UONOGXRCSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506040619 1016937726 /nfs/dbraw/zinc/93/77/26/1016937726.db2.gz CDUUBSDDNHELBS-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506040619 1016937740 /nfs/dbraw/zinc/93/77/40/1016937740.db2.gz CDUUBSDDNHELBS-ZIAGYGMSSA-N 2 1 322.453 0.209 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001441412220 1008348576 /nfs/dbraw/zinc/34/85/76/1008348576.db2.gz BMKGSKVNKVSNPS-JOCQHMNTSA-N 2 1 301.818 0.698 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446773422 1012972368 /nfs/dbraw/zinc/97/23/68/1012972368.db2.gz JSEUQESTVHKBHO-HNNXBMFYSA-N 2 1 315.845 0.634 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446773422 1012972383 /nfs/dbraw/zinc/97/23/83/1012972383.db2.gz JSEUQESTVHKBHO-HNNXBMFYSA-N 2 1 315.845 0.634 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001479547390 1017579913 /nfs/dbraw/zinc/57/99/13/1017579913.db2.gz SMHUQQBUVXSHJE-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001479928267 1017987413 /nfs/dbraw/zinc/98/74/13/1017987413.db2.gz KCEISHOBWBTKHS-INIZCTEOSA-N 2 1 308.470 0.781 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001499926857 1018139132 /nfs/dbraw/zinc/13/91/32/1018139132.db2.gz UIVIUVFTMGNXQL-CABCVRRESA-N 2 1 322.453 0.211 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495297972 1018451881 /nfs/dbraw/zinc/45/18/81/1018451881.db2.gz HJSXPISMNLUHKM-YOEHRIQHSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001480368452 1018469466 /nfs/dbraw/zinc/46/94/66/1018469466.db2.gz XEJRDEMKVLMCHE-OAHLLOKOSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCOCC1 ZINC001500581733 1018500791 /nfs/dbraw/zinc/50/07/91/1018500791.db2.gz FXEGOHSTEAQCJQ-INIZCTEOSA-N 2 1 321.465 0.997 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001500594498 1018506010 /nfs/dbraw/zinc/50/60/10/1018506010.db2.gz RKGZSCQUCBQJDZ-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480721104 1018813977 /nfs/dbraw/zinc/81/39/77/1018813977.db2.gz IQXNMTHLMWYKNX-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480721104 1018813995 /nfs/dbraw/zinc/81/39/95/1018813995.db2.gz IQXNMTHLMWYKNX-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480721104 1018814014 /nfs/dbraw/zinc/81/40/14/1018814014.db2.gz IQXNMTHLMWYKNX-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480721104 1018814035 /nfs/dbraw/zinc/81/40/35/1018814035.db2.gz IQXNMTHLMWYKNX-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495885854 1018825165 /nfs/dbraw/zinc/82/51/65/1018825165.db2.gz SEZYNNUCWQTDLV-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495885854 1018825182 /nfs/dbraw/zinc/82/51/82/1018825182.db2.gz SEZYNNUCWQTDLV-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480733700 1018836560 /nfs/dbraw/zinc/83/65/60/1018836560.db2.gz RGTQTJPIMWKDMM-INIZCTEOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001501359476 1019090951 /nfs/dbraw/zinc/09/09/51/1019090951.db2.gz DHKKBCHXLTWBEA-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001501359476 1019090961 /nfs/dbraw/zinc/09/09/61/1019090961.db2.gz DHKKBCHXLTWBEA-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001501359476 1019090972 /nfs/dbraw/zinc/09/09/72/1019090972.db2.gz DHKKBCHXLTWBEA-KRWDZBQOSA-N 2 1 309.454 0.685 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1C(C)C ZINC001501497248 1019244454 /nfs/dbraw/zinc/24/44/54/1019244454.db2.gz SOYVSWCWADKDQC-UHFFFAOYSA-N 2 1 306.410 0.440 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccn(C)n2)CC1 ZINC001493806152 1019725471 /nfs/dbraw/zinc/72/54/71/1019725471.db2.gz GGVPRBLCHDZDPE-UHFFFAOYSA-N 2 1 317.437 0.313 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001494108484 1019987635 /nfs/dbraw/zinc/98/76/35/1019987635.db2.gz PUEOBMNZOQVDID-INIZCTEOSA-N 2 1 308.470 0.590 20 30 DCEDMP [NH2+]=C(NCCCc1ccccn1)NCCC[NH+]1CCOCC1 ZINC000178767540 237239021 /nfs/dbraw/zinc/23/90/21/237239021.db2.gz KOPAQNWQAOTWHK-UHFFFAOYSA-N 2 1 305.426 0.641 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000491264402 533103597 /nfs/dbraw/zinc/10/35/97/533103597.db2.gz GMRHEFGRDDTJOB-MRXNPFEDSA-N 2 1 322.453 0.305 20 30 DCEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000267463538 533477461 /nfs/dbraw/zinc/47/74/61/533477461.db2.gz VTHINBAVDWAQGC-OAHLLOKOSA-N 2 1 319.453 0.388 20 30 DCEDMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329441135 396844594 /nfs/dbraw/zinc/84/45/94/396844594.db2.gz KXVVEFBGSOGSQW-HUUCEWRRSA-N 2 1 311.474 0.610 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458317216 397429374 /nfs/dbraw/zinc/42/93/74/397429374.db2.gz BIXFUMRXZWUGPL-INIZCTEOSA-N 2 1 324.469 0.783 20 30 DCEDMP CC[N@H+](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)C1CC1 ZINC000134090496 287015006 /nfs/dbraw/zinc/01/50/06/287015006.db2.gz DWNNUCCCRBRFGX-UHFFFAOYSA-N 2 1 304.398 0.856 20 30 DCEDMP CC[N@@H+](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)C1CC1 ZINC000134090496 287015007 /nfs/dbraw/zinc/01/50/07/287015007.db2.gz DWNNUCCCRBRFGX-UHFFFAOYSA-N 2 1 304.398 0.856 20 30 DCEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174728352 416086256 /nfs/dbraw/zinc/08/62/56/416086256.db2.gz DZQMJXCAVAYIFY-QGZVFWFLSA-N 2 1 323.485 0.610 20 30 DCEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174728352 416086258 /nfs/dbraw/zinc/08/62/58/416086258.db2.gz DZQMJXCAVAYIFY-QGZVFWFLSA-N 2 1 323.485 0.610 20 30 DCEDMP C[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@]1(C)CO ZINC000662142647 418384299 /nfs/dbraw/zinc/38/42/99/418384299.db2.gz JHRMPSVVJIFSBL-XMTFNYHQSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@]1(C)CO ZINC000662142647 418384303 /nfs/dbraw/zinc/38/43/03/418384303.db2.gz JHRMPSVVJIFSBL-XMTFNYHQSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@]1(C)CO ZINC000662142647 418384304 /nfs/dbraw/zinc/38/43/04/418384304.db2.gz JHRMPSVVJIFSBL-XMTFNYHQSA-N 2 1 308.466 0.890 20 30 DCEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421326400 262394087 /nfs/dbraw/zinc/39/40/87/262394087.db2.gz NYXAAUVUCDVTFH-UHFFFAOYSA-N 2 1 304.369 0.951 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566036069 1159949671 /nfs/dbraw/zinc/94/96/71/1159949671.db2.gz UCKLZCTZYNEQIX-HOTGVXAUSA-N 2 1 309.454 0.491 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001566036280 1159952149 /nfs/dbraw/zinc/95/21/49/1159952149.db2.gz XPKXBDNXOOAXJU-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001566036280 1159952153 /nfs/dbraw/zinc/95/21/53/1159952153.db2.gz XPKXBDNXOOAXJU-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261972103 526381905 /nfs/dbraw/zinc/38/19/05/526381905.db2.gz NATOWGWORULOOB-MFKMUULPSA-N 2 1 319.409 0.526 20 30 DCEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000262416180 526395966 /nfs/dbraw/zinc/39/59/66/526395966.db2.gz QDYKRPZKVQGOQR-BARDWOONSA-N 2 1 324.469 0.686 20 30 DCEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000262416180 526395972 /nfs/dbraw/zinc/39/59/72/526395972.db2.gz QDYKRPZKVQGOQR-BARDWOONSA-N 2 1 324.469 0.686 20 30 DCEDMP CCNC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264106037 528941600 /nfs/dbraw/zinc/94/16/00/528941600.db2.gz NQOMYGRWYYTTMU-UHFFFAOYSA-N 2 1 303.410 0.498 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ncccc1F ZINC000269476102 529100623 /nfs/dbraw/zinc/10/06/23/529100623.db2.gz NDBOQZVIGHZFHY-LBPRGKRZSA-N 2 1 309.389 0.988 20 30 DCEDMP C#CCC[N@H+](C)CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001667587740 1174692751 /nfs/dbraw/zinc/69/27/51/1174692751.db2.gz CIVUIGMADGTYAL-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559144 660561916 /nfs/dbraw/zinc/56/19/16/660561916.db2.gz PJIJURNTEPKLBD-UEIJKTBSSA-N 2 1 317.433 0.330 20 30 DCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559144 660561917 /nfs/dbraw/zinc/56/19/17/660561917.db2.gz PJIJURNTEPKLBD-UEIJKTBSSA-N 2 1 317.433 0.330 20 30 DCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559144 660561918 /nfs/dbraw/zinc/56/19/18/660561918.db2.gz PJIJURNTEPKLBD-UEIJKTBSSA-N 2 1 317.433 0.330 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000888993667 661009748 /nfs/dbraw/zinc/00/97/48/661009748.db2.gz BERASUAUGOLHBU-UHFFFAOYSA-N 2 1 306.454 0.037 20 30 DCEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981209015 661101667 /nfs/dbraw/zinc/10/16/67/661101667.db2.gz DLFLWHMJOJXPCO-HZPDHXFCSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209015 661101669 /nfs/dbraw/zinc/10/16/69/661101669.db2.gz DLFLWHMJOJXPCO-HZPDHXFCSA-N 2 1 307.438 0.960 20 30 DCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209015 661101671 /nfs/dbraw/zinc/10/16/71/661101671.db2.gz DLFLWHMJOJXPCO-HZPDHXFCSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645884 661189398 /nfs/dbraw/zinc/18/93/98/661189398.db2.gz GSABAADYNJUMRR-UPTPFMHGSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645884 661189402 /nfs/dbraw/zinc/18/94/02/661189402.db2.gz GSABAADYNJUMRR-UPTPFMHGSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645884 661189403 /nfs/dbraw/zinc/18/94/03/661189403.db2.gz GSABAADYNJUMRR-UPTPFMHGSA-N 2 1 317.433 0.407 20 30 DCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970556134 657629918 /nfs/dbraw/zinc/62/99/18/657629918.db2.gz BKIATDHTRURBSU-ZDUSSCGKSA-N 2 1 303.410 0.128 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000939147984 665502702 /nfs/dbraw/zinc/50/27/02/665502702.db2.gz QKLHNTTWTMLLRQ-CZUORRHYSA-N 2 1 316.405 0.954 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537027 657663307 /nfs/dbraw/zinc/66/33/07/657663307.db2.gz CIQPFSYYDMMESZ-SJLPKXTDSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537027 657663311 /nfs/dbraw/zinc/66/33/11/657663311.db2.gz CIQPFSYYDMMESZ-SJLPKXTDSA-N 2 1 321.465 0.899 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970763060 657884535 /nfs/dbraw/zinc/88/45/35/657884535.db2.gz PLWLDKAHIKJGSP-CHWSQXEVSA-N 2 1 301.818 0.650 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970763060 657884543 /nfs/dbraw/zinc/88/45/43/657884543.db2.gz PLWLDKAHIKJGSP-CHWSQXEVSA-N 2 1 301.818 0.650 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021693272 658240669 /nfs/dbraw/zinc/24/06/69/658240669.db2.gz ZGBNSCRSNTZCAC-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021693272 658240672 /nfs/dbraw/zinc/24/06/72/658240672.db2.gz ZGBNSCRSNTZCAC-IAGOWNOFSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041841825 658393558 /nfs/dbraw/zinc/39/35/58/658393558.db2.gz VICCAWHKTGGICS-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041841825 658393568 /nfs/dbraw/zinc/39/35/68/658393568.db2.gz VICCAWHKTGGICS-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841825 658393578 /nfs/dbraw/zinc/39/35/78/658393578.db2.gz VICCAWHKTGGICS-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841825 658393589 /nfs/dbraw/zinc/39/35/89/658393589.db2.gz VICCAWHKTGGICS-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179878 658410849 /nfs/dbraw/zinc/41/08/49/658410849.db2.gz RDMCIUSENHKVHF-GOEBONIOSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179878 658410854 /nfs/dbraw/zinc/41/08/54/658410854.db2.gz RDMCIUSENHKVHF-GOEBONIOSA-N 2 1 300.406 0.920 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC#CCO ZINC000923779167 658750161 /nfs/dbraw/zinc/75/01/61/658750161.db2.gz MPPCKDYCZDRWDV-HNNXBMFYSA-N 2 1 310.442 0.040 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001021078513 658754595 /nfs/dbraw/zinc/75/45/95/658754595.db2.gz JRJDYGNHOZTKJO-AVGNSLFASA-N 2 1 301.818 0.696 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001021078513 658754600 /nfs/dbraw/zinc/75/46/00/658754600.db2.gz JRJDYGNHOZTKJO-AVGNSLFASA-N 2 1 301.818 0.696 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038346998 659748341 /nfs/dbraw/zinc/74/83/41/659748341.db2.gz UEKLHCAWWSMRDZ-IAGOWNOFSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038346998 659748345 /nfs/dbraw/zinc/74/83/45/659748345.db2.gz UEKLHCAWWSMRDZ-IAGOWNOFSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038346998 659748349 /nfs/dbraw/zinc/74/83/49/659748349.db2.gz UEKLHCAWWSMRDZ-IAGOWNOFSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346998 659748355 /nfs/dbraw/zinc/74/83/55/659748355.db2.gz UEKLHCAWWSMRDZ-IAGOWNOFSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645399 661717102 /nfs/dbraw/zinc/71/71/02/661717102.db2.gz DNXFFOVYSFXFLY-ZDUSSCGKSA-N 2 1 304.394 0.811 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645399 661717104 /nfs/dbraw/zinc/71/71/04/661717104.db2.gz DNXFFOVYSFXFLY-ZDUSSCGKSA-N 2 1 304.394 0.811 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028683679 661757678 /nfs/dbraw/zinc/75/76/78/661757678.db2.gz RILCSASXGARKMP-CQSZACIVSA-N 2 1 309.373 0.952 20 30 DCEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698228 661764647 /nfs/dbraw/zinc/76/46/47/661764647.db2.gz DLHAUUHKUYBMRE-UERKLNTKSA-N 2 1 319.449 0.864 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859658 661854286 /nfs/dbraw/zinc/85/42/86/661854286.db2.gz FFIHHLDSOXTZDK-HNNXBMFYSA-N 2 1 317.437 0.520 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001029003004 661930183 /nfs/dbraw/zinc/93/01/83/661930183.db2.gz GMFXIHMFXIFZLO-HZPDHXFCSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CCSCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896989123 662382465 /nfs/dbraw/zinc/38/24/65/662382465.db2.gz OLPWONUYVNOOBS-HNNXBMFYSA-N 2 1 309.479 0.980 20 30 DCEDMP C#CCSCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000896989123 662382466 /nfs/dbraw/zinc/38/24/66/662382466.db2.gz OLPWONUYVNOOBS-HNNXBMFYSA-N 2 1 309.479 0.980 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)C1CCC1 ZINC000304690412 662465993 /nfs/dbraw/zinc/46/59/93/662465993.db2.gz HCCZSUGQFYRXGI-AWEZNQCLSA-N 2 1 309.458 0.681 20 30 DCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001075328 665990153 /nfs/dbraw/zinc/99/01/53/665990153.db2.gz GWAZDIAXCUBXQD-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075328 665990154 /nfs/dbraw/zinc/99/01/54/665990154.db2.gz GWAZDIAXCUBXQD-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075328 665990155 /nfs/dbraw/zinc/99/01/55/665990155.db2.gz GWAZDIAXCUBXQD-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355448 664115390 /nfs/dbraw/zinc/11/53/90/664115390.db2.gz BHBVDLXTYVUHJO-XLMAVXFVSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355448 664115394 /nfs/dbraw/zinc/11/53/94/664115394.db2.gz BHBVDLXTYVUHJO-XLMAVXFVSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355448 664115395 /nfs/dbraw/zinc/11/53/95/664115395.db2.gz BHBVDLXTYVUHJO-XLMAVXFVSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355448 664115396 /nfs/dbraw/zinc/11/53/96/664115396.db2.gz BHBVDLXTYVUHJO-XLMAVXFVSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355445 664115622 /nfs/dbraw/zinc/11/56/22/664115622.db2.gz BHBVDLXTYVUHJO-CBZIJGRNSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355445 664115624 /nfs/dbraw/zinc/11/56/24/664115624.db2.gz BHBVDLXTYVUHJO-CBZIJGRNSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355445 664115625 /nfs/dbraw/zinc/11/56/25/664115625.db2.gz BHBVDLXTYVUHJO-CBZIJGRNSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355445 664115626 /nfs/dbraw/zinc/11/56/26/664115626.db2.gz BHBVDLXTYVUHJO-CBZIJGRNSA-N 2 1 319.449 0.842 20 30 DCEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727928 665352340 /nfs/dbraw/zinc/35/23/40/665352340.db2.gz ZFRRELJNSSDVFR-MRXNPFEDSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031742341 665398662 /nfs/dbraw/zinc/39/86/62/665398662.db2.gz BLSSUFHSOSMEAI-ZBFHGGJFSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031742341 665398664 /nfs/dbraw/zinc/39/86/64/665398664.db2.gz BLSSUFHSOSMEAI-ZBFHGGJFSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567039 666024380 /nfs/dbraw/zinc/02/43/80/666024380.db2.gz PCGQJUOIRYHQHV-DOTOQJQBSA-N 2 1 318.465 0.036 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567039 666024382 /nfs/dbraw/zinc/02/43/82/666024382.db2.gz PCGQJUOIRYHQHV-DOTOQJQBSA-N 2 1 318.465 0.036 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC#CC)CC1 ZINC001001492476 666060922 /nfs/dbraw/zinc/06/09/22/666060922.db2.gz QELHPNFYIQVACL-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC#CC)CC1 ZINC001001492476 666060924 /nfs/dbraw/zinc/06/09/24/666060924.db2.gz QELHPNFYIQVACL-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001691323362 1157642498 /nfs/dbraw/zinc/64/24/98/1157642498.db2.gz IVBZTNYEVUFPAO-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085570 666496892 /nfs/dbraw/zinc/49/68/92/666496892.db2.gz USOASXFIFSVCTN-CQSZACIVSA-N 2 1 303.410 0.224 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085570 666496893 /nfs/dbraw/zinc/49/68/93/666496893.db2.gz USOASXFIFSVCTN-CQSZACIVSA-N 2 1 303.410 0.224 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000945184228 666580453 /nfs/dbraw/zinc/58/04/53/666580453.db2.gz VVZIMNJWMDYYIP-GDBMZVCRSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318690 666988191 /nfs/dbraw/zinc/98/81/91/666988191.db2.gz DVUPJXKXMJTKHE-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034318690 666988192 /nfs/dbraw/zinc/98/81/92/666988192.db2.gz DVUPJXKXMJTKHE-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034318690 666988195 /nfs/dbraw/zinc/98/81/95/666988195.db2.gz DVUPJXKXMJTKHE-BNQMIIOLSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997637594 667352036 /nfs/dbraw/zinc/35/20/36/667352036.db2.gz ZPIVMKGGVCUDTK-HLLBOEOZSA-N 2 1 321.465 0.946 20 30 DCEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997637594 667352037 /nfs/dbraw/zinc/35/20/37/667352037.db2.gz ZPIVMKGGVCUDTK-HLLBOEOZSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000884162537 667487858 /nfs/dbraw/zinc/48/78/58/667487858.db2.gz HXAZLGJPIQMWEZ-OAHLLOKOSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000884162537 667487859 /nfs/dbraw/zinc/48/78/59/667487859.db2.gz HXAZLGJPIQMWEZ-OAHLLOKOSA-N 2 1 322.453 0.494 20 30 DCEDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000923425128 667531176 /nfs/dbraw/zinc/53/11/76/667531176.db2.gz IHTNQSLFGXXPQU-YQQAZPJKSA-N 2 1 301.390 0.839 20 30 DCEDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000923425128 667531179 /nfs/dbraw/zinc/53/11/79/667531179.db2.gz IHTNQSLFGXXPQU-YQQAZPJKSA-N 2 1 301.390 0.839 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000869782910 667682788 /nfs/dbraw/zinc/68/27/88/667682788.db2.gz XQOLQMWOLBJASF-HNNXBMFYSA-N 2 1 307.438 0.293 20 30 DCEDMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(CC#N)CC1)C2=O ZINC000781573102 669050587 /nfs/dbraw/zinc/05/05/87/669050587.db2.gz WXKOUBXGAOCIPX-UHFFFAOYSA-N 2 1 319.409 0.586 20 30 DCEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@@H]2C1 ZINC000931442137 669204945 /nfs/dbraw/zinc/20/49/45/669204945.db2.gz VUNSCLNOSBUJHY-PMPSAXMXSA-N 2 1 307.438 0.941 20 30 DCEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@@H]2C1 ZINC000931442137 669204947 /nfs/dbraw/zinc/20/49/47/669204947.db2.gz VUNSCLNOSBUJHY-PMPSAXMXSA-N 2 1 307.438 0.941 20 30 DCEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@@H]2C1 ZINC000931442137 669204948 /nfs/dbraw/zinc/20/49/48/669204948.db2.gz VUNSCLNOSBUJHY-PMPSAXMXSA-N 2 1 307.438 0.941 20 30 DCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000856083752 670784072 /nfs/dbraw/zinc/78/40/72/670784072.db2.gz MTENWECZNYENNV-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000852865737 671179027 /nfs/dbraw/zinc/17/90/27/671179027.db2.gz NQMQYXKYYWXNJP-HOTGVXAUSA-N 2 1 305.422 0.047 20 30 DCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872703 671181721 /nfs/dbraw/zinc/18/17/21/671181721.db2.gz KJEAQBGHDNINIS-INIZCTEOSA-N 2 1 320.481 0.379 20 30 DCEDMP C#CCO[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000822720849 671339874 /nfs/dbraw/zinc/33/98/74/671339874.db2.gz LYNCDHMFVXEWJD-CYBMUJFWSA-N 2 1 302.378 0.810 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000827114157 671515311 /nfs/dbraw/zinc/51/53/11/671515311.db2.gz GQZMHWYQQWZQNQ-UHFFFAOYSA-N 2 1 322.453 0.448 20 30 DCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000834494544 671764940 /nfs/dbraw/zinc/76/49/40/671764940.db2.gz NYDJBXFCHFZYPN-XHSDSOJGSA-N 2 1 313.405 0.521 20 30 DCEDMP C#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000843269472 672077941 /nfs/dbraw/zinc/07/79/41/672077941.db2.gz NOHZTBBTHHCEAK-HUUCEWRRSA-N 2 1 305.422 0.801 20 30 DCEDMP C=C(C)C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691524921 1158201150 /nfs/dbraw/zinc/20/11/50/1158201150.db2.gz OOAQZMQDSRMIDW-CVEARBPZSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691524921 1158201155 /nfs/dbraw/zinc/20/11/55/1158201155.db2.gz OOAQZMQDSRMIDW-CVEARBPZSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691524921 1158201159 /nfs/dbraw/zinc/20/11/59/1158201159.db2.gz OOAQZMQDSRMIDW-CVEARBPZSA-N 2 1 309.454 0.942 20 30 DCEDMP CN(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccco1 ZINC000303777877 685207163 /nfs/dbraw/zinc/20/71/63/685207163.db2.gz JCXLUYDSRVOWMY-AWEZNQCLSA-N 2 1 323.441 0.509 20 30 DCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)Nc1ccccc1 ZINC000303883429 685208669 /nfs/dbraw/zinc/20/86/69/685208669.db2.gz MCZPEGBZPGYSEY-UHFFFAOYSA-N 2 1 319.409 0.252 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC1CCOCC1 ZINC000304784887 685211870 /nfs/dbraw/zinc/21/18/70/685211870.db2.gz HTHHEPDJJCQMKO-AWEZNQCLSA-N 2 1 312.458 0.961 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038530473 694107121 /nfs/dbraw/zinc/10/71/21/694107121.db2.gz ADVGWPVSUOKBKJ-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038530473 694107123 /nfs/dbraw/zinc/10/71/23/694107123.db2.gz ADVGWPVSUOKBKJ-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038530473 694107125 /nfs/dbraw/zinc/10/71/25/694107125.db2.gz ADVGWPVSUOKBKJ-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038530473 694107127 /nfs/dbraw/zinc/10/71/27/694107127.db2.gz ADVGWPVSUOKBKJ-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038535019 694109654 /nfs/dbraw/zinc/10/96/54/694109654.db2.gz JTFJOZLVLUTYFY-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038535019 694109659 /nfs/dbraw/zinc/10/96/59/694109659.db2.gz JTFJOZLVLUTYFY-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038535019 694109660 /nfs/dbraw/zinc/10/96/60/694109660.db2.gz JTFJOZLVLUTYFY-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214496 687445945 /nfs/dbraw/zinc/44/59/45/687445945.db2.gz IIIZJNGQDYTMHY-HUUCEWRRSA-N 2 1 307.438 0.600 20 30 DCEDMP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554951 687741283 /nfs/dbraw/zinc/74/12/83/687741283.db2.gz JFIIJSZAHRFVNJ-JKSUJKDBSA-N 2 1 307.438 0.149 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958581154 687769816 /nfs/dbraw/zinc/76/98/16/687769816.db2.gz MVKOECVUYFGVGL-DLBZAZTESA-N 2 1 319.449 0.151 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958599583 687786552 /nfs/dbraw/zinc/78/65/52/687786552.db2.gz RQGISFHVOZFCNL-CJNGLKHVSA-N 2 1 318.421 0.746 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958599583 687786556 /nfs/dbraw/zinc/78/65/56/687786556.db2.gz RQGISFHVOZFCNL-CJNGLKHVSA-N 2 1 318.421 0.746 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729877 687882029 /nfs/dbraw/zinc/88/20/29/687882029.db2.gz YZLJVMGIMVKFFU-DOTOQJQBSA-N 2 1 317.433 0.957 20 30 DCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961609439 688672935 /nfs/dbraw/zinc/67/29/35/688672935.db2.gz RUUXSMQHHLXBHI-SIXLDLHFSA-N 2 1 312.417 0.824 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961609439 688672938 /nfs/dbraw/zinc/67/29/38/688672938.db2.gz RUUXSMQHHLXBHI-SIXLDLHFSA-N 2 1 312.417 0.824 20 30 DCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961610915 688673515 /nfs/dbraw/zinc/67/35/15/688673515.db2.gz UWLGUPULPSBPFW-ARLBYUKCSA-N 2 1 300.406 0.986 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961610915 688673516 /nfs/dbraw/zinc/67/35/16/688673516.db2.gz UWLGUPULPSBPFW-ARLBYUKCSA-N 2 1 300.406 0.986 20 30 DCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961763487 688725408 /nfs/dbraw/zinc/72/54/08/688725408.db2.gz LLMVJACUMVUPSY-CFAJVAMVSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961763487 688725412 /nfs/dbraw/zinc/72/54/12/688725412.db2.gz LLMVJACUMVUPSY-CFAJVAMVSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961763487 688725422 /nfs/dbraw/zinc/72/54/22/688725422.db2.gz LLMVJACUMVUPSY-CFAJVAMVSA-N 2 1 307.413 0.879 20 30 DCEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039302969 694335916 /nfs/dbraw/zinc/33/59/16/694335916.db2.gz OUZWHFGIHDUYHX-ALOPSCKCSA-N 2 1 319.449 0.844 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968408910 690254980 /nfs/dbraw/zinc/25/49/80/690254980.db2.gz HLTURZDLSIWZME-ZBFHGGJFSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968408910 690254983 /nfs/dbraw/zinc/25/49/83/690254983.db2.gz HLTURZDLSIWZME-ZBFHGGJFSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCO ZINC000968894033 690416161 /nfs/dbraw/zinc/41/61/61/690416161.db2.gz YLGYORVBDQPQEE-SJORKVTESA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCOC)CC2 ZINC001016669600 692743392 /nfs/dbraw/zinc/74/33/92/692743392.db2.gz LFJHNYCKPGMBGP-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCOC)CC2 ZINC001016669600 692743395 /nfs/dbraw/zinc/74/33/95/692743395.db2.gz LFJHNYCKPGMBGP-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016686420 692747354 /nfs/dbraw/zinc/74/73/54/692747354.db2.gz YEFGGRDDYVFECK-RBSFLKMASA-N 2 1 307.438 0.862 20 30 DCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016686420 692747357 /nfs/dbraw/zinc/74/73/57/692747357.db2.gz YEFGGRDDYVFECK-RBSFLKMASA-N 2 1 307.438 0.862 20 30 DCEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040653462 694587656 /nfs/dbraw/zinc/58/76/56/694587656.db2.gz VFXJCTPPOQTJIM-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040653462 694587658 /nfs/dbraw/zinc/58/76/58/694587658.db2.gz VFXJCTPPOQTJIM-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073561950 694743286 /nfs/dbraw/zinc/74/32/86/694743286.db2.gz GPOPXIKZGYCQCJ-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073561950 694743288 /nfs/dbraw/zinc/74/32/88/694743288.db2.gz GPOPXIKZGYCQCJ-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073561950 694743290 /nfs/dbraw/zinc/74/32/90/694743290.db2.gz GPOPXIKZGYCQCJ-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073561950 694743291 /nfs/dbraw/zinc/74/32/91/694743291.db2.gz GPOPXIKZGYCQCJ-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C(C)C)CCCO1 ZINC001073640207 694757868 /nfs/dbraw/zinc/75/78/68/694757868.db2.gz ZCBRLXJKWYKITR-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C(C)C)CCCO1 ZINC001073640207 694757870 /nfs/dbraw/zinc/75/78/70/694757870.db2.gz ZCBRLXJKWYKITR-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C(C)C)CCCO1 ZINC001073640207 694757871 /nfs/dbraw/zinc/75/78/71/694757871.db2.gz ZCBRLXJKWYKITR-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C(C)C)CCCO1 ZINC001073640207 694757872 /nfs/dbraw/zinc/75/78/72/694757872.db2.gz ZCBRLXJKWYKITR-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861506 694793626 /nfs/dbraw/zinc/79/36/26/694793626.db2.gz DNOCVEQVLPLVGT-HNNXBMFYSA-N 2 1 307.438 0.865 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999002 695121853 /nfs/dbraw/zinc/12/18/53/695121853.db2.gz AAHVZICJDANGBH-HUUCEWRRSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999002 695121855 /nfs/dbraw/zinc/12/18/55/695121855.db2.gz AAHVZICJDANGBH-HUUCEWRRSA-N 2 1 307.438 0.436 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001570548010 1162541493 /nfs/dbraw/zinc/54/14/93/1162541493.db2.gz JPEBGRWNFWSQKA-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001570548010 1162541499 /nfs/dbraw/zinc/54/14/99/1162541499.db2.gz JPEBGRWNFWSQKA-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001570548010 1162541504 /nfs/dbraw/zinc/54/15/04/1162541504.db2.gz JPEBGRWNFWSQKA-MRXNPFEDSA-N 2 1 309.454 0.899 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001570907307 1162646492 /nfs/dbraw/zinc/64/64/92/1162646492.db2.gz DTKNDKLWUDARFZ-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001570907307 1162646493 /nfs/dbraw/zinc/64/64/93/1162646493.db2.gz DTKNDKLWUDARFZ-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001570907307 1162646495 /nfs/dbraw/zinc/64/64/95/1162646495.db2.gz DTKNDKLWUDARFZ-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001570907307 1162646496 /nfs/dbraw/zinc/64/64/96/1162646496.db2.gz DTKNDKLWUDARFZ-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001266501641 1157414784 /nfs/dbraw/zinc/41/47/84/1157414784.db2.gz FQIWFHDWPNTWMR-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001266501641 1157414778 /nfs/dbraw/zinc/41/47/78/1157414778.db2.gz FQIWFHDWPNTWMR-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266501641 1157414780 /nfs/dbraw/zinc/41/47/80/1157414780.db2.gz FQIWFHDWPNTWMR-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001266501641 1157414783 /nfs/dbraw/zinc/41/47/83/1157414783.db2.gz FQIWFHDWPNTWMR-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001266501641 1157414787 /nfs/dbraw/zinc/41/47/87/1157414787.db2.gz FQIWFHDWPNTWMR-HRCADAONSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001691316753 1157640153 /nfs/dbraw/zinc/64/01/53/1157640153.db2.gz BFDLZYMBKFBZJK-AWEZNQCLSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267709549 1157931347 /nfs/dbraw/zinc/93/13/47/1157931347.db2.gz XHUSJJIKSDQKEF-CVEARBPZSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267709549 1157931349 /nfs/dbraw/zinc/93/13/49/1157931349.db2.gz XHUSJJIKSDQKEF-CVEARBPZSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267709549 1157931350 /nfs/dbraw/zinc/93/13/50/1157931350.db2.gz XHUSJJIKSDQKEF-CVEARBPZSA-N 2 1 309.454 0.921 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481439689 1157972701 /nfs/dbraw/zinc/97/27/01/1157972701.db2.gz VZXIWHOWGCIBGW-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481439689 1157972705 /nfs/dbraw/zinc/97/27/05/1157972705.db2.gz VZXIWHOWGCIBGW-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481439689 1157972708 /nfs/dbraw/zinc/97/27/08/1157972708.db2.gz VZXIWHOWGCIBGW-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC#CCOC)C1 ZINC001753875151 1158080060 /nfs/dbraw/zinc/08/00/60/1158080060.db2.gz FZFQLWSASZGEFH-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC#CCOC)C1 ZINC001753875151 1158080066 /nfs/dbraw/zinc/08/00/66/1158080066.db2.gz FZFQLWSASZGEFH-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC#CCOC)C1 ZINC001753875151 1158080074 /nfs/dbraw/zinc/08/00/74/1158080074.db2.gz FZFQLWSASZGEFH-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001691517199 1158157188 /nfs/dbraw/zinc/15/71/88/1158157188.db2.gz GLAHEYFTWXWCMH-QAETUUGQSA-N 2 1 321.465 0.851 20 30 DCEDMP C=C(C)C[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691524922 1158201213 /nfs/dbraw/zinc/20/12/13/1158201213.db2.gz OOAQZMQDSRMIDW-HOTGVXAUSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691524922 1158201216 /nfs/dbraw/zinc/20/12/16/1158201216.db2.gz OOAQZMQDSRMIDW-HOTGVXAUSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691524922 1158201220 /nfs/dbraw/zinc/20/12/20/1158201220.db2.gz OOAQZMQDSRMIDW-HOTGVXAUSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082027 1158436243 /nfs/dbraw/zinc/43/62/43/1158436243.db2.gz JTOYXKVDOASROA-KBPBESRZSA-N 2 1 310.442 0.256 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001566125154 1159796939 /nfs/dbraw/zinc/79/69/39/1159796939.db2.gz XFINOJAIMYLQGC-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001566125154 1159796942 /nfs/dbraw/zinc/79/69/42/1159796942.db2.gz XFINOJAIMYLQGC-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001566036280 1159952144 /nfs/dbraw/zinc/95/21/44/1159952144.db2.gz XPKXBDNXOOAXJU-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001566954332 1160192603 /nfs/dbraw/zinc/19/26/03/1160192603.db2.gz WXGUUMHATXEOAR-HNNXBMFYSA-N 2 1 324.469 0.600 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001567151931 1160258233 /nfs/dbraw/zinc/25/82/33/1160258233.db2.gz VPSIQVHDEZEOSY-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001567369576 1160333272 /nfs/dbraw/zinc/33/32/72/1160333272.db2.gz AAOXURHALQKVGP-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001567711588 1160460269 /nfs/dbraw/zinc/46/02/69/1160460269.db2.gz CKGBBLOGRCDBFU-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001567711588 1160460272 /nfs/dbraw/zinc/46/02/72/1160460272.db2.gz CKGBBLOGRCDBFU-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001567711588 1160460275 /nfs/dbraw/zinc/46/02/75/1160460275.db2.gz CKGBBLOGRCDBFU-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567709243 1160460703 /nfs/dbraw/zinc/46/07/03/1160460703.db2.gz KBAAKOJIXDILIB-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567709243 1160460707 /nfs/dbraw/zinc/46/07/07/1160460707.db2.gz KBAAKOJIXDILIB-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567709243 1160460713 /nfs/dbraw/zinc/46/07/13/1160460713.db2.gz KBAAKOJIXDILIB-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCC=C ZINC001568139327 1160583071 /nfs/dbraw/zinc/58/30/71/1160583071.db2.gz RZODSAYZNXLXKZ-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCC=C ZINC001568139327 1160583077 /nfs/dbraw/zinc/58/30/77/1160583077.db2.gz RZODSAYZNXLXKZ-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001568538160 1160673036 /nfs/dbraw/zinc/67/30/36/1160673036.db2.gz WUWWBGNUVAKLKZ-SJORKVTESA-N 2 1 321.465 0.997 20 30 DCEDMP C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569117867 1160949239 /nfs/dbraw/zinc/94/92/39/1160949239.db2.gz JYDKCLCNSCADAT-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569117867 1160949244 /nfs/dbraw/zinc/94/92/44/1160949244.db2.gz JYDKCLCNSCADAT-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569117867 1160949251 /nfs/dbraw/zinc/94/92/51/1160949251.db2.gz JYDKCLCNSCADAT-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569117867 1160949256 /nfs/dbraw/zinc/94/92/56/1160949256.db2.gz JYDKCLCNSCADAT-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569117867 1160949262 /nfs/dbraw/zinc/94/92/62/1160949262.db2.gz JYDKCLCNSCADAT-MGPQQGTHSA-N 2 1 310.442 0.065 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC#CCOC)C2)C1 ZINC001569481337 1161072538 /nfs/dbraw/zinc/07/25/38/1161072538.db2.gz UHXJWJOKYIBFGA-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CC#CCOC)C2)C1 ZINC001569481337 1161072544 /nfs/dbraw/zinc/07/25/44/1161072544.db2.gz UHXJWJOKYIBFGA-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](CC#CCOC)C2)C1 ZINC001569481337 1161072552 /nfs/dbraw/zinc/07/25/52/1161072552.db2.gz UHXJWJOKYIBFGA-SFHVURJKSA-N 2 1 321.465 0.902 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001570167399 1161466949 /nfs/dbraw/zinc/46/69/49/1161466949.db2.gz OUNUIFCCFSXXCH-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001570167399 1161466955 /nfs/dbraw/zinc/46/69/55/1161466955.db2.gz OUNUIFCCFSXXCH-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC001574674221 1163738569 /nfs/dbraw/zinc/73/85/69/1163738569.db2.gz WXWMPKIHPLOYHC-INIZCTEOSA-N 2 1 318.465 0.228 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001574673385 1163739279 /nfs/dbraw/zinc/73/92/79/1163739279.db2.gz KSQQNFMGPYRNGI-UONOGXRCSA-N 2 1 316.409 0.030 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001574673385 1163739283 /nfs/dbraw/zinc/73/92/83/1163739283.db2.gz KSQQNFMGPYRNGI-UONOGXRCSA-N 2 1 316.409 0.030 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001656784208 1173884562 /nfs/dbraw/zinc/88/45/62/1173884562.db2.gz MPBPQZYQBAXYTD-INIZCTEOSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001656860347 1173890544 /nfs/dbraw/zinc/89/05/44/1173890544.db2.gz WSQPBGCZXOVNHE-HZPDHXFCSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CCC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001656860347 1173890549 /nfs/dbraw/zinc/89/05/49/1173890549.db2.gz WSQPBGCZXOVNHE-HZPDHXFCSA-N 2 1 309.454 0.757 20 30 DCEDMP C#CCC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001656860347 1173890554 /nfs/dbraw/zinc/89/05/54/1173890554.db2.gz WSQPBGCZXOVNHE-HZPDHXFCSA-N 2 1 309.454 0.757 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001656863065 1173890947 /nfs/dbraw/zinc/89/09/47/1173890947.db2.gz GTXWTJYQPMOSMR-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001656863065 1173890951 /nfs/dbraw/zinc/89/09/51/1173890951.db2.gz GTXWTJYQPMOSMR-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001656863065 1173890956 /nfs/dbraw/zinc/89/09/56/1173890956.db2.gz GTXWTJYQPMOSMR-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001662792112 1174241734 /nfs/dbraw/zinc/24/17/34/1174241734.db2.gz VIDJHLUQTYUMMN-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001662919410 1174251881 /nfs/dbraw/zinc/25/18/81/1174251881.db2.gz UOAVZKKDUCBQBG-LSDHHAIUSA-N 2 1 322.453 0.093 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001664249185 1174413590 /nfs/dbraw/zinc/41/35/90/1174413590.db2.gz ZLPKOTLPVUWINU-UHFFFAOYSA-N 2 1 306.410 0.670 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001676267308 1175432310 /nfs/dbraw/zinc/43/23/10/1175432310.db2.gz BQYSMFJOHIWZSJ-DOTOQJQBSA-N 2 1 321.465 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC2CC2)CC1 ZINC001677185400 1175547010 /nfs/dbraw/zinc/54/70/10/1175547010.db2.gz YXYFXTKYZYXYMJ-KRWDZBQOSA-N 2 1 321.465 0.493 20 30 DCEDMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001677632170 1175588387 /nfs/dbraw/zinc/58/83/87/1175588387.db2.gz HGKPSNPMOIXCDA-MRXNPFEDSA-N 2 1 307.438 0.889 20 30 DCEDMP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001677632170 1175588392 /nfs/dbraw/zinc/58/83/92/1175588392.db2.gz HGKPSNPMOIXCDA-MRXNPFEDSA-N 2 1 307.438 0.889 20 30 DCEDMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001677632170 1175588398 /nfs/dbraw/zinc/58/83/98/1175588398.db2.gz HGKPSNPMOIXCDA-MRXNPFEDSA-N 2 1 307.438 0.889 20 30 DCEDMP C#CCC[N@@H+](C)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001689809989 1177069926 /nfs/dbraw/zinc/06/99/26/1177069926.db2.gz MLVWWQSRIHPCJL-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001690429454 1177241573 /nfs/dbraw/zinc/24/15/73/1177241573.db2.gz PPUFEGMNGOYZJW-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001692103851 1177416665 /nfs/dbraw/zinc/41/66/65/1177416665.db2.gz BXRYDCMYOILAMI-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001692103851 1177416664 /nfs/dbraw/zinc/41/66/64/1177416664.db2.gz BXRYDCMYOILAMI-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001692108374 1177417722 /nfs/dbraw/zinc/41/77/22/1177417722.db2.gz AYRNGIWEJUALNS-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001692224131 1177449311 /nfs/dbraw/zinc/44/93/11/1177449311.db2.gz NKMOZTRUAPIDSJ-PMPSAXMXSA-N 2 1 309.454 0.801 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001692224131 1177449320 /nfs/dbraw/zinc/44/93/20/1177449320.db2.gz NKMOZTRUAPIDSJ-PMPSAXMXSA-N 2 1 309.454 0.801 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001698563927 1177557353 /nfs/dbraw/zinc/55/73/53/1177557353.db2.gz RRXZGKPQBDJLSH-SJORKVTESA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001698563927 1177557360 /nfs/dbraw/zinc/55/73/60/1177557360.db2.gz RRXZGKPQBDJLSH-SJORKVTESA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001698844754 1177691371 /nfs/dbraw/zinc/69/13/71/1177691371.db2.gz FERBRNYWYOBZLS-AWEZNQCLSA-N 2 1 324.469 0.150 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001699017432 1177774111 /nfs/dbraw/zinc/77/41/11/1177774111.db2.gz BAPPJWCADUAHPC-TZMCWYRMSA-N 2 1 304.394 0.858 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001699823953 1178306385 /nfs/dbraw/zinc/30/63/85/1178306385.db2.gz BPJGTQUOZAYVAJ-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001699823953 1178306392 /nfs/dbraw/zinc/30/63/92/1178306392.db2.gz BPJGTQUOZAYVAJ-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001699823953 1178306400 /nfs/dbraw/zinc/30/64/00/1178306400.db2.gz BPJGTQUOZAYVAJ-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001699823953 1178306406 /nfs/dbraw/zinc/30/64/06/1178306406.db2.gz BPJGTQUOZAYVAJ-WMLDXEAASA-N 2 1 322.453 0.047 20 30 DCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001700001144 1178419518 /nfs/dbraw/zinc/41/95/18/1178419518.db2.gz FXIHEBQQCVTJBX-ZMSDIMECSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001700001144 1178419523 /nfs/dbraw/zinc/41/95/23/1178419523.db2.gz FXIHEBQQCVTJBX-ZMSDIMECSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001700001144 1178419537 /nfs/dbraw/zinc/41/95/37/1178419537.db2.gz FXIHEBQQCVTJBX-ZMSDIMECSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC2CC2)CC1 ZINC001700300688 1178572408 /nfs/dbraw/zinc/57/24/08/1178572408.db2.gz BOADGWGORFWIKI-INIZCTEOSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC2CC2)CC1 ZINC001700300688 1178572411 /nfs/dbraw/zinc/57/24/11/1178572411.db2.gz BOADGWGORFWIKI-INIZCTEOSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001700697059 1178710481 /nfs/dbraw/zinc/71/04/81/1178710481.db2.gz ULNSFOVWBAPWDM-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001700697059 1178710477 /nfs/dbraw/zinc/71/04/77/1178710477.db2.gz ULNSFOVWBAPWDM-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001700697059 1178710486 /nfs/dbraw/zinc/71/04/86/1178710486.db2.gz ULNSFOVWBAPWDM-UHFFFAOYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC001700923428 1178805648 /nfs/dbraw/zinc/80/56/48/1178805648.db2.gz KVUXITYZBUNDMJ-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001700939713 1178816960 /nfs/dbraw/zinc/81/69/60/1178816960.db2.gz SSORGYHFQFGUAH-HZPDHXFCSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001700939788 1178817552 /nfs/dbraw/zinc/81/75/52/1178817552.db2.gz URBHPCFLRDJGPQ-DLBZAZTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001700965620 1178845999 /nfs/dbraw/zinc/84/59/99/1178845999.db2.gz YKXJBUOUDBKPBO-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001700965620 1178846007 /nfs/dbraw/zinc/84/60/07/1178846007.db2.gz YKXJBUOUDBKPBO-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001700965620 1178846016 /nfs/dbraw/zinc/84/60/16/1178846016.db2.gz YKXJBUOUDBKPBO-IRXDYDNUSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001700966449 1178847319 /nfs/dbraw/zinc/84/73/19/1178847319.db2.gz WHQVEPNCLOWBBC-CVEARBPZSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001700966449 1178847327 /nfs/dbraw/zinc/84/73/27/1178847327.db2.gz WHQVEPNCLOWBBC-CVEARBPZSA-N 2 1 309.454 0.493 20 30 DCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001700966449 1178847337 /nfs/dbraw/zinc/84/73/37/1178847337.db2.gz WHQVEPNCLOWBBC-CVEARBPZSA-N 2 1 309.454 0.493 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707208813 1180433575 /nfs/dbraw/zinc/43/35/75/1180433575.db2.gz MPPXFLRQWJLNIH-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001713401946 1180799818 /nfs/dbraw/zinc/79/98/18/1180799818.db2.gz WLTQSWPXSQGVLX-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC[C@@H]1CCCO1 ZINC001713456120 1180834295 /nfs/dbraw/zinc/83/42/95/1180834295.db2.gz DLMCMAQDVWOZBH-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC[C@@H]1CCCO1 ZINC001713456120 1180834309 /nfs/dbraw/zinc/83/43/09/1180834309.db2.gz DLMCMAQDVWOZBH-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@@H]1CCCO1 ZINC001713456120 1180834318 /nfs/dbraw/zinc/83/43/18/1180834318.db2.gz DLMCMAQDVWOZBH-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@@H]1CCCO1 ZINC001713456120 1180834327 /nfs/dbraw/zinc/83/43/27/1180834327.db2.gz DLMCMAQDVWOZBH-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001713456525 1180839795 /nfs/dbraw/zinc/83/97/95/1180839795.db2.gz SICNPIPIYPHVSM-CABCVRRESA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001713456525 1180839801 /nfs/dbraw/zinc/83/98/01/1180839801.db2.gz SICNPIPIYPHVSM-CABCVRRESA-N 2 1 324.469 0.408 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001713457567 1180840268 /nfs/dbraw/zinc/84/02/68/1180840268.db2.gz FTWHSJXWYFORSR-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001713457567 1180840275 /nfs/dbraw/zinc/84/02/75/1180840275.db2.gz FTWHSJXWYFORSR-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001713457567 1180840285 /nfs/dbraw/zinc/84/02/85/1180840285.db2.gz FTWHSJXWYFORSR-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001713457567 1180840292 /nfs/dbraw/zinc/84/02/92/1180840292.db2.gz FTWHSJXWYFORSR-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001713809022 1181084598 /nfs/dbraw/zinc/08/45/98/1181084598.db2.gz KZINVPJAOPXXFU-INIZCTEOSA-N 2 1 308.470 0.781 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001714381046 1181342627 /nfs/dbraw/zinc/34/26/27/1181342627.db2.gz XEGILIXAXDOJAH-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001714613716 1181440324 /nfs/dbraw/zinc/44/03/24/1181440324.db2.gz QNTUDTVNRFHHOC-MRXNPFEDSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001714613716 1181440326 /nfs/dbraw/zinc/44/03/26/1181440326.db2.gz QNTUDTVNRFHHOC-MRXNPFEDSA-N 2 1 319.449 0.845 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001714668394 1181468778 /nfs/dbraw/zinc/46/87/78/1181468778.db2.gz CWKJNPFLQFPVPA-UONOGXRCSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714796370 1181552798 /nfs/dbraw/zinc/55/27/98/1181552798.db2.gz FXRVGOUYTHTEIU-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001714906656 1181595824 /nfs/dbraw/zinc/59/58/24/1181595824.db2.gz BKALULBPNTYZGM-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001714906656 1181595828 /nfs/dbraw/zinc/59/58/28/1181595828.db2.gz BKALULBPNTYZGM-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001714906656 1181595832 /nfs/dbraw/zinc/59/58/32/1181595832.db2.gz BKALULBPNTYZGM-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001714906656 1181595835 /nfs/dbraw/zinc/59/58/35/1181595835.db2.gz BKALULBPNTYZGM-MRXNPFEDSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001715124716 1181696258 /nfs/dbraw/zinc/69/62/58/1181696258.db2.gz NFBXCTXXHHMRDE-SUMWQHHRSA-N 2 1 322.453 0.115 20 30 DCEDMP C#CC[NH2+]C[C@](C)(NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001715128167 1181696587 /nfs/dbraw/zinc/69/65/87/1181696587.db2.gz WBFSLXXFQFUOMF-PBHICJAKSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001715188779 1181711576 /nfs/dbraw/zinc/71/15/76/1181711576.db2.gz CANSFJPUMXPKDW-SHTZXODSSA-N 2 1 322.453 0.095 20 30 DCEDMP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001715321329 1181771278 /nfs/dbraw/zinc/77/12/78/1181771278.db2.gz NDNRZSQBQPHETD-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001716155078 1182224069 /nfs/dbraw/zinc/22/40/69/1182224069.db2.gz QIPXWKSUWICUMK-CYBMUJFWSA-N 2 1 322.409 0.484 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001716778786 1182522761 /nfs/dbraw/zinc/52/27/61/1182522761.db2.gz FMJRRALLQVOJLZ-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](C(C)C)C2)CC1 ZINC001716930373 1182586658 /nfs/dbraw/zinc/58/66/58/1182586658.db2.gz RWDHVPRLURJKST-QGZVFWFLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001717839297 1183026575 /nfs/dbraw/zinc/02/65/75/1183026575.db2.gz FWRJNWQZKCCWOH-RDJZCZTQSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001717839297 1183026581 /nfs/dbraw/zinc/02/65/81/1183026581.db2.gz FWRJNWQZKCCWOH-RDJZCZTQSA-N 2 1 305.422 0.455 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCC1CC1 ZINC001717939781 1183078447 /nfs/dbraw/zinc/07/84/47/1183078447.db2.gz NUEITQXNOSSJCV-SJORKVTESA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCC1CC1 ZINC001717939781 1183078454 /nfs/dbraw/zinc/07/84/54/1183078454.db2.gz NUEITQXNOSSJCV-SJORKVTESA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC1CC1 ZINC001717939781 1183078462 /nfs/dbraw/zinc/07/84/62/1183078462.db2.gz NUEITQXNOSSJCV-SJORKVTESA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC1CC1 ZINC001717939781 1183078469 /nfs/dbraw/zinc/07/84/69/1183078469.db2.gz NUEITQXNOSSJCV-SJORKVTESA-N 2 1 321.465 0.635 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NCCCCC[NH+]2CCN(CC#N)CC2)C1 ZINC001725014352 1184655384 /nfs/dbraw/zinc/65/53/84/1184655384.db2.gz LIELSTGFUKABTF-INIZCTEOSA-N 2 1 321.469 0.366 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001725337944 1184778218 /nfs/dbraw/zinc/77/82/18/1184778218.db2.gz PPPSCTROCJOBBE-YESZJQIVSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001725337944 1184778226 /nfs/dbraw/zinc/77/82/26/1184778226.db2.gz PPPSCTROCJOBBE-YESZJQIVSA-N 2 1 319.449 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001725361612 1184787125 /nfs/dbraw/zinc/78/71/25/1184787125.db2.gz XZARFARPPMCNBA-KBUPBQIOSA-N 2 1 316.405 0.647 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1=CCCCC1 ZINC001725533488 1184866494 /nfs/dbraw/zinc/86/64/94/1184866494.db2.gz QRHARGSWQVTEJG-IRXDYDNUSA-N 2 1 319.449 0.651 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1=CCCCC1 ZINC001725533488 1184866499 /nfs/dbraw/zinc/86/64/99/1184866499.db2.gz QRHARGSWQVTEJG-IRXDYDNUSA-N 2 1 319.449 0.651 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001725754751 1184983582 /nfs/dbraw/zinc/98/35/82/1184983582.db2.gz IEHVFIPVWCNITH-GJZGRUSLSA-N 2 1 309.454 0.708 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001731848688 1185528113 /nfs/dbraw/zinc/52/81/13/1185528113.db2.gz LNYINDJOYBIINS-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001731848688 1185528119 /nfs/dbraw/zinc/52/81/19/1185528119.db2.gz LNYINDJOYBIINS-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001731848688 1185528125 /nfs/dbraw/zinc/52/81/25/1185528125.db2.gz LNYINDJOYBIINS-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H]1CCOC1 ZINC001732585281 1185860401 /nfs/dbraw/zinc/86/04/01/1185860401.db2.gz IYBRJRAENCUKQF-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H]1CCOC1 ZINC001732585281 1185860393 /nfs/dbraw/zinc/86/03/93/1185860393.db2.gz IYBRJRAENCUKQF-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H]1CCOC1 ZINC001732585281 1185860413 /nfs/dbraw/zinc/86/04/13/1185860413.db2.gz IYBRJRAENCUKQF-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H]1CCOC1 ZINC001732585281 1185860418 /nfs/dbraw/zinc/86/04/18/1185860418.db2.gz IYBRJRAENCUKQF-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H]1CCOC1 ZINC001732585280 1185861132 /nfs/dbraw/zinc/86/11/32/1185861132.db2.gz IYBRJRAENCUKQF-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@H]1CCOC1 ZINC001732585280 1185861127 /nfs/dbraw/zinc/86/11/27/1185861127.db2.gz IYBRJRAENCUKQF-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@H]1CCOC1 ZINC001732585280 1185861129 /nfs/dbraw/zinc/86/11/29/1185861129.db2.gz IYBRJRAENCUKQF-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H]1CCOC1 ZINC001732585280 1185861136 /nfs/dbraw/zinc/86/11/36/1185861136.db2.gz IYBRJRAENCUKQF-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@H](C)COC)CC1 ZINC001733066055 1186125560 /nfs/dbraw/zinc/12/55/60/1186125560.db2.gz JWDSRPWQCUZCHF-HUUCEWRRSA-N 2 1 309.454 0.803 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001733481158 1186289062 /nfs/dbraw/zinc/28/90/62/1186289062.db2.gz ZPOHJYILAXYGGS-WBVHZDCISA-N 2 1 307.438 0.457 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001752773730 1188438102 /nfs/dbraw/zinc/43/81/02/1188438102.db2.gz VZWAWEUKTFOOMF-ZNMIVQPWSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001752855322 1188450639 /nfs/dbraw/zinc/45/06/39/1188450639.db2.gz SARYUQJKUCFYEE-UHFFFAOYSA-N 2 1 324.469 0.646 20 30 DCEDMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001752978642 1188470683 /nfs/dbraw/zinc/47/06/83/1188470683.db2.gz QAQDSFNCDKJKID-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC#CCOC)C1 ZINC001753222840 1188540295 /nfs/dbraw/zinc/54/02/95/1188540295.db2.gz PHJQFKPZPKFHSD-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001753341588 1188567638 /nfs/dbraw/zinc/56/76/38/1188567638.db2.gz CHUFPRJSLJQSFW-IAGOWNOFSA-N 2 1 320.481 0.426 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001753448578 1188598894 /nfs/dbraw/zinc/59/88/94/1188598894.db2.gz XFARXJUFXLWLHM-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001753448578 1188598895 /nfs/dbraw/zinc/59/88/95/1188598895.db2.gz XFARXJUFXLWLHM-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001753515372 1188612983 /nfs/dbraw/zinc/61/29/83/1188612983.db2.gz YYDIWEDSJDKSGQ-PBHICJAKSA-N 2 1 322.453 0.257 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](OC)C1CCC1 ZINC001754229469 1188792913 /nfs/dbraw/zinc/79/29/13/1188792913.db2.gz GGAZOIQPGBHUBN-HYVNUMGLSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](OC)C1CCC1 ZINC001754229469 1188792916 /nfs/dbraw/zinc/79/29/16/1188792916.db2.gz GGAZOIQPGBHUBN-HYVNUMGLSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H](OC)C1CCC1 ZINC001754229470 1188793014 /nfs/dbraw/zinc/79/30/14/1188793014.db2.gz GGAZOIQPGBHUBN-PVAVHDDUSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H](OC)C1CCC1 ZINC001754229470 1188793018 /nfs/dbraw/zinc/79/30/18/1188793018.db2.gz GGAZOIQPGBHUBN-PVAVHDDUSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001754548033 1188877541 /nfs/dbraw/zinc/87/75/41/1188877541.db2.gz AXSUXEPEKMELOW-KRWDZBQOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001754548033 1188877545 /nfs/dbraw/zinc/87/75/45/1188877545.db2.gz AXSUXEPEKMELOW-KRWDZBQOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001754548033 1188877549 /nfs/dbraw/zinc/87/75/49/1188877549.db2.gz AXSUXEPEKMELOW-KRWDZBQOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001754548033 1188877551 /nfs/dbraw/zinc/87/75/51/1188877551.db2.gz AXSUXEPEKMELOW-KRWDZBQOSA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754756984 1188924046 /nfs/dbraw/zinc/92/40/46/1188924046.db2.gz ACNKHTHHDKQCAW-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001754987215 1188987096 /nfs/dbraw/zinc/98/70/96/1188987096.db2.gz KRFIOGBCHDEMHR-AWEZNQCLSA-N 2 1 322.453 0.259 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC#CCOC ZINC001755328049 1189082145 /nfs/dbraw/zinc/08/21/45/1189082145.db2.gz NQAHMWIRQLJOLA-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC#CCOC ZINC001755328049 1189082148 /nfs/dbraw/zinc/08/21/48/1189082148.db2.gz NQAHMWIRQLJOLA-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC#CCOC ZINC001755328049 1189082151 /nfs/dbraw/zinc/08/21/51/1189082151.db2.gz NQAHMWIRQLJOLA-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001755368538 1189092671 /nfs/dbraw/zinc/09/26/71/1189092671.db2.gz SLWDEFZMOIELBF-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001755481832 1189123720 /nfs/dbraw/zinc/12/37/20/1189123720.db2.gz XQEPAZNVWMLPEU-KKUMJFAQSA-N 2 1 322.453 0.115 20 30 DCEDMP C#CCC[N@@H+](C)CCOCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001755540800 1189142101 /nfs/dbraw/zinc/14/21/01/1189142101.db2.gz OUTGBXNFEPNQBJ-UHFFFAOYSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755544050 1189143105 /nfs/dbraw/zinc/14/31/05/1189143105.db2.gz IEMXEAIIZIVCNN-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001755544050 1189143108 /nfs/dbraw/zinc/14/31/08/1189143108.db2.gz IEMXEAIIZIVCNN-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001755544050 1189143114 /nfs/dbraw/zinc/14/31/14/1189143114.db2.gz IEMXEAIIZIVCNN-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001755746446 1189199782 /nfs/dbraw/zinc/19/97/82/1189199782.db2.gz NFWDPNIJSYECLN-SJORKVTESA-N 2 1 321.465 0.997 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077570909 751621796 /nfs/dbraw/zinc/62/17/96/751621796.db2.gz FCLXRYXJIAVHMD-CAOSSQGBSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077570909 751621798 /nfs/dbraw/zinc/62/17/98/751621798.db2.gz FCLXRYXJIAVHMD-CAOSSQGBSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077570909 751621804 /nfs/dbraw/zinc/62/18/04/751621804.db2.gz FCLXRYXJIAVHMD-CAOSSQGBSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326819 748137219 /nfs/dbraw/zinc/13/72/19/748137219.db2.gz HISNDCBLIUJBHT-SWLSCSKDSA-N 2 1 318.425 0.135 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326819 748137223 /nfs/dbraw/zinc/13/72/23/748137223.db2.gz HISNDCBLIUJBHT-SWLSCSKDSA-N 2 1 318.425 0.135 20 30 DCEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001105377346 748710780 /nfs/dbraw/zinc/71/07/80/748710780.db2.gz YPBXDDBRCSUJBY-UHFFFAOYSA-N 2 1 320.441 0.667 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920044 749132770 /nfs/dbraw/zinc/13/27/70/749132770.db2.gz CMQHRRXAZWFNCM-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920044 749132773 /nfs/dbraw/zinc/13/27/73/749132773.db2.gz CMQHRRXAZWFNCM-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920044 749132775 /nfs/dbraw/zinc/13/27/75/749132775.db2.gz CMQHRRXAZWFNCM-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920044 749132777 /nfs/dbraw/zinc/13/27/77/749132777.db2.gz CMQHRRXAZWFNCM-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088619741 749804057 /nfs/dbraw/zinc/80/40/57/749804057.db2.gz ZELRPNKIASJHKH-PVAVHDDUSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088619741 749804064 /nfs/dbraw/zinc/80/40/64/749804064.db2.gz ZELRPNKIASJHKH-PVAVHDDUSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088619741 749804070 /nfs/dbraw/zinc/80/40/70/749804070.db2.gz ZELRPNKIASJHKH-PVAVHDDUSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088619741 749804075 /nfs/dbraw/zinc/80/40/75/749804075.db2.gz ZELRPNKIASJHKH-PVAVHDDUSA-N 2 1 319.449 0.842 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088619741 749804083 /nfs/dbraw/zinc/80/40/83/749804083.db2.gz ZELRPNKIASJHKH-PVAVHDDUSA-N 2 1 319.449 0.842 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524370 750096192 /nfs/dbraw/zinc/09/61/92/750096192.db2.gz RJFQEXVCCAWNFG-XHSDSOJGSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524370 750096201 /nfs/dbraw/zinc/09/62/01/750096201.db2.gz RJFQEXVCCAWNFG-XHSDSOJGSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524370 750096206 /nfs/dbraw/zinc/09/62/06/750096206.db2.gz RJFQEXVCCAWNFG-XHSDSOJGSA-N 2 1 309.454 0.987 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@H]1C ZINC001106266415 751073859 /nfs/dbraw/zinc/07/38/59/751073859.db2.gz IRYRPPLQEUPMHQ-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@H]1C ZINC001106266415 751073867 /nfs/dbraw/zinc/07/38/67/751073867.db2.gz IRYRPPLQEUPMHQ-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203506736 751143334 /nfs/dbraw/zinc/14/33/34/751143334.db2.gz LERBCEGWSYNCSG-GJZGRUSLSA-N 2 1 305.422 0.359 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CC(C)C)CCO1 ZINC001108004554 752899948 /nfs/dbraw/zinc/89/99/48/752899948.db2.gz XDSASCJSXAAZKX-FUHWJXTLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444845 753196856 /nfs/dbraw/zinc/19/68/56/753196856.db2.gz YPGYSEDCTDWRRL-CABCVRRESA-N 2 1 305.422 0.454 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046032831 753436562 /nfs/dbraw/zinc/43/65/62/753436562.db2.gz OHDMQPXAWALONU-IXDOHACOSA-N 2 1 318.465 0.178 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046032831 753436565 /nfs/dbraw/zinc/43/65/65/753436565.db2.gz OHDMQPXAWALONU-IXDOHACOSA-N 2 1 318.465 0.178 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046032831 753436569 /nfs/dbraw/zinc/43/65/69/753436569.db2.gz OHDMQPXAWALONU-IXDOHACOSA-N 2 1 318.465 0.178 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046039244 753441878 /nfs/dbraw/zinc/44/18/78/753441878.db2.gz UUHZBEVDCKEIIE-IAGOWNOFSA-N 2 1 320.481 0.568 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082548 753472102 /nfs/dbraw/zinc/47/21/02/753472102.db2.gz UFBZNGVHUTYSLW-KRWDZBQOSA-N 2 1 320.481 0.877 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046082234 753472349 /nfs/dbraw/zinc/47/23/49/753472349.db2.gz PFCVDFLBFLTUCF-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082234 753472352 /nfs/dbraw/zinc/47/23/52/753472352.db2.gz PFCVDFLBFLTUCF-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082234 753472356 /nfs/dbraw/zinc/47/23/56/753472356.db2.gz PFCVDFLBFLTUCF-DLBZAZTESA-N 2 1 318.465 0.180 20 30 DCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696917 753881865 /nfs/dbraw/zinc/88/18/65/753881865.db2.gz XXADVPBGKBFTOY-KRWDZBQOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001047458991 754302775 /nfs/dbraw/zinc/30/27/75/754302775.db2.gz KBMDSXIDQYBBBG-HOTGVXAUSA-N 2 1 312.373 0.475 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001047498485 754333004 /nfs/dbraw/zinc/33/30/04/754333004.db2.gz XMFCLXNONDFKKV-PMPSAXMXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498485 754333005 /nfs/dbraw/zinc/33/30/05/754333005.db2.gz XMFCLXNONDFKKV-PMPSAXMXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498485 754333008 /nfs/dbraw/zinc/33/30/08/754333008.db2.gz XMFCLXNONDFKKV-PMPSAXMXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498485 754333010 /nfs/dbraw/zinc/33/30/10/754333010.db2.gz XMFCLXNONDFKKV-PMPSAXMXSA-N 2 1 309.454 0.798 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001047553495 754386960 /nfs/dbraw/zinc/38/69/60/754386960.db2.gz IWPUEZXHPWZLEG-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001047553495 754386967 /nfs/dbraw/zinc/38/69/67/754386967.db2.gz IWPUEZXHPWZLEG-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553495 754386973 /nfs/dbraw/zinc/38/69/73/754386973.db2.gz IWPUEZXHPWZLEG-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553495 754386980 /nfs/dbraw/zinc/38/69/80/754386980.db2.gz IWPUEZXHPWZLEG-PMPSAXMXSA-N 2 1 309.454 0.939 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888016 754950355 /nfs/dbraw/zinc/95/03/55/754950355.db2.gz WJANWFSMNFCQKA-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888016 754950359 /nfs/dbraw/zinc/95/03/59/754950359.db2.gz WJANWFSMNFCQKA-CVEARBPZSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818230 754958934 /nfs/dbraw/zinc/95/89/34/754958934.db2.gz GKTQDWMEMHPGHQ-NXOAAHMSSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818230 754958939 /nfs/dbraw/zinc/95/89/39/754958939.db2.gz GKTQDWMEMHPGHQ-NXOAAHMSSA-N 2 1 301.434 0.884 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818230 754958944 /nfs/dbraw/zinc/95/89/44/754958944.db2.gz GKTQDWMEMHPGHQ-NXOAAHMSSA-N 2 1 301.434 0.884 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789735 755401135 /nfs/dbraw/zinc/40/11/35/755401135.db2.gz FOVIQUUKHUNGGQ-HZPDHXFCSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789735 755401136 /nfs/dbraw/zinc/40/11/36/755401136.db2.gz FOVIQUUKHUNGGQ-HZPDHXFCSA-N 2 1 307.438 0.960 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090355719 755666632 /nfs/dbraw/zinc/66/66/32/755666632.db2.gz RHXLGNFZTUYOIO-JKSUJKDBSA-N 2 1 319.449 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001052783907 755806381 /nfs/dbraw/zinc/80/63/81/755806381.db2.gz LGKKVRFWEDDZTB-MRXNPFEDSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161277 756117910 /nfs/dbraw/zinc/11/79/10/756117910.db2.gz UUBAIYXOFKNNSW-HCBPCCMXSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080161277 756117915 /nfs/dbraw/zinc/11/79/15/756117915.db2.gz UUBAIYXOFKNNSW-HCBPCCMXSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080161277 756117919 /nfs/dbraw/zinc/11/79/19/756117919.db2.gz UUBAIYXOFKNNSW-HCBPCCMXSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC3(C[NH+](CC)C3)O2)CC1 ZINC001053699111 756151352 /nfs/dbraw/zinc/15/13/52/756151352.db2.gz AUVVSXATDUWGQY-INIZCTEOSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164472 757439776 /nfs/dbraw/zinc/43/97/76/757439776.db2.gz FPTJVZUWENQZAS-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164472 757439781 /nfs/dbraw/zinc/43/97/81/757439781.db2.gz FPTJVZUWENQZAS-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083860 757483875 /nfs/dbraw/zinc/48/38/75/757483875.db2.gz PESLXPTVPROLTJ-IXDOHACOSA-N 2 1 319.449 0.816 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(=C)C)C[C@@H]2O)CC1 ZINC001084090139 757668982 /nfs/dbraw/zinc/66/89/82/757668982.db2.gz LRWKPVKMSYAWGX-SJORKVTESA-N 2 1 319.449 0.459 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051660255 758842865 /nfs/dbraw/zinc/84/28/65/758842865.db2.gz PRZNCPCUAIZSTD-HOTGVXAUSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051660255 758842872 /nfs/dbraw/zinc/84/28/72/758842872.db2.gz PRZNCPCUAIZSTD-HOTGVXAUSA-N 2 1 305.422 0.311 20 30 DCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098391754 759217207 /nfs/dbraw/zinc/21/72/07/759217207.db2.gz HYVOCLUCIBIJHN-UHFFFAOYSA-N 2 1 309.454 0.942 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001108343406 760416354 /nfs/dbraw/zinc/41/63/54/760416354.db2.gz QSBIOHZXOFQGNE-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001108343406 760416358 /nfs/dbraw/zinc/41/63/58/760416358.db2.gz QSBIOHZXOFQGNE-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343406 760416360 /nfs/dbraw/zinc/41/63/60/760416360.db2.gz QSBIOHZXOFQGNE-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343406 760416365 /nfs/dbraw/zinc/41/63/65/760416365.db2.gz QSBIOHZXOFQGNE-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108343407 760416547 /nfs/dbraw/zinc/41/65/47/760416547.db2.gz QSBIOHZXOFQGNE-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108343407 760416550 /nfs/dbraw/zinc/41/65/50/760416550.db2.gz QSBIOHZXOFQGNE-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343407 760416558 /nfs/dbraw/zinc/41/65/58/760416558.db2.gz QSBIOHZXOFQGNE-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343407 760416564 /nfs/dbraw/zinc/41/65/64/760416564.db2.gz QSBIOHZXOFQGNE-RDJZCZTQSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124599 760440834 /nfs/dbraw/zinc/44/08/34/760440834.db2.gz KQXOWQOQQUHWRS-JKSUJKDBSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148292847 767960383 /nfs/dbraw/zinc/96/03/83/767960383.db2.gz WFTDGKPURJATBM-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001148292847 767960385 /nfs/dbraw/zinc/96/03/85/767960385.db2.gz WFTDGKPURJATBM-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001148292847 767960387 /nfs/dbraw/zinc/96/03/87/767960387.db2.gz WFTDGKPURJATBM-INIZCTEOSA-N 2 1 319.449 0.512 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129332357 760696460 /nfs/dbraw/zinc/69/64/60/760696460.db2.gz DKPREZWXFQFTDX-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129332357 760696464 /nfs/dbraw/zinc/69/64/64/760696464.db2.gz DKPREZWXFQFTDX-CABCVRRESA-N 2 1 320.441 0.538 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001070328276 761170909 /nfs/dbraw/zinc/17/09/09/761170909.db2.gz URKHTSQNVRVSGN-KGLIPLIRSA-N 2 1 315.381 0.011 20 30 DCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386541 761316566 /nfs/dbraw/zinc/31/65/66/761316566.db2.gz MTQDQNUMFJLECJ-CABCVRRESA-N 2 1 307.442 0.874 20 30 DCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)N(C)C)C2 ZINC001109400854 761397369 /nfs/dbraw/zinc/39/73/69/761397369.db2.gz ZCMOYKHUGYJKBT-UGUYLWEFSA-N 2 1 317.437 0.721 20 30 DCEDMP C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)N(C)C)C2 ZINC001109400854 761397380 /nfs/dbraw/zinc/39/73/80/761397380.db2.gz ZCMOYKHUGYJKBT-UGUYLWEFSA-N 2 1 317.437 0.721 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCF)C[C@@]2(C)C1 ZINC001091748148 768038811 /nfs/dbraw/zinc/03/88/11/768038811.db2.gz BRBKERNMADTXCE-VYDXJSESSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCF)C[C@@]2(C)C1 ZINC001091748148 768038815 /nfs/dbraw/zinc/03/88/15/768038815.db2.gz BRBKERNMADTXCE-VYDXJSESSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCF)C[C@@]2(C)C1 ZINC001091748148 768038820 /nfs/dbraw/zinc/03/88/20/768038820.db2.gz BRBKERNMADTXCE-VYDXJSESSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCF)C[C@@]2(C)C1 ZINC001091748148 768038824 /nfs/dbraw/zinc/03/88/24/768038824.db2.gz BRBKERNMADTXCE-VYDXJSESSA-N 2 1 307.413 0.834 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902323 761601715 /nfs/dbraw/zinc/60/17/15/761601715.db2.gz BVFRZTVPWNAYRI-PVAVHDDUSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976046 761627560 /nfs/dbraw/zinc/62/75/60/761627560.db2.gz PNTLONXEFMSDIY-NCOADZHNSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976046 761627564 /nfs/dbraw/zinc/62/75/64/761627564.db2.gz PNTLONXEFMSDIY-NCOADZHNSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109976046 761627567 /nfs/dbraw/zinc/62/75/67/761627567.db2.gz PNTLONXEFMSDIY-NCOADZHNSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109976046 761627573 /nfs/dbraw/zinc/62/75/73/761627573.db2.gz PNTLONXEFMSDIY-NCOADZHNSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071204031 761703152 /nfs/dbraw/zinc/70/31/52/761703152.db2.gz MCNTVRBEVFUOQS-MAUKXSAKSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncc(C)s1 ZINC001129770068 763007194 /nfs/dbraw/zinc/00/71/94/763007194.db2.gz AAMCBSLIDHUXEO-ZDUSSCGKSA-N 2 1 306.435 0.755 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](OC)C1CCC1 ZINC001129770614 763008197 /nfs/dbraw/zinc/00/81/97/763008197.db2.gz JUIKKFMURWWIFT-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](OC)C1CCC1 ZINC001129770614 763008200 /nfs/dbraw/zinc/00/82/00/763008200.db2.gz JUIKKFMURWWIFT-JKSUJKDBSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](O)C1 ZINC001099897033 763107316 /nfs/dbraw/zinc/10/73/16/763107316.db2.gz PTDFEERZRWIYRR-HZPDHXFCSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](O)C1 ZINC001099897033 763107320 /nfs/dbraw/zinc/10/73/20/763107320.db2.gz PTDFEERZRWIYRR-HZPDHXFCSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](O)C1 ZINC001099897033 763107326 /nfs/dbraw/zinc/10/73/26/763107326.db2.gz PTDFEERZRWIYRR-HZPDHXFCSA-N 2 1 321.465 0.824 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](O)C1 ZINC001099897033 763107330 /nfs/dbraw/zinc/10/73/30/763107330.db2.gz PTDFEERZRWIYRR-HZPDHXFCSA-N 2 1 321.465 0.824 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974815 763180299 /nfs/dbraw/zinc/18/02/99/763180299.db2.gz VZTJOVXKQLMLRI-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038540 763245086 /nfs/dbraw/zinc/24/50/86/763245086.db2.gz KEGFCNODAGFAGN-JKSUJKDBSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](O)C1 ZINC001100038540 763245099 /nfs/dbraw/zinc/24/50/99/763245099.db2.gz KEGFCNODAGFAGN-JKSUJKDBSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038540 763245105 /nfs/dbraw/zinc/24/51/05/763245105.db2.gz KEGFCNODAGFAGN-JKSUJKDBSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038540 763245109 /nfs/dbraw/zinc/24/51/09/763245109.db2.gz KEGFCNODAGFAGN-JKSUJKDBSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100115673 763327710 /nfs/dbraw/zinc/32/77/10/763327710.db2.gz BHURPBIZSDIERS-IRXDYDNUSA-N 2 1 321.465 0.827 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664325 763735064 /nfs/dbraw/zinc/73/50/64/763735064.db2.gz IYRNADAVJNZQSF-MJBXVCDLSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664325 763735069 /nfs/dbraw/zinc/73/50/69/763735069.db2.gz IYRNADAVJNZQSF-MJBXVCDLSA-N 2 1 315.845 0.944 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131390351 763795529 /nfs/dbraw/zinc/79/55/29/763795529.db2.gz FSJNNUTVEAJSNM-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001131390351 763795532 /nfs/dbraw/zinc/79/55/32/763795532.db2.gz FSJNNUTVEAJSNM-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001131390351 763795535 /nfs/dbraw/zinc/79/55/35/763795535.db2.gz FSJNNUTVEAJSNM-UHFFFAOYSA-N 2 1 324.469 0.555 20 30 DCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269645 764347144 /nfs/dbraw/zinc/34/71/44/764347144.db2.gz NGJLRDSVMBQBKD-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269645 764347148 /nfs/dbraw/zinc/34/71/48/764347148.db2.gz NGJLRDSVMBQBKD-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578288 764709969 /nfs/dbraw/zinc/70/99/69/764709969.db2.gz USOASUGKPDXQHJ-OWCLPIDISA-N 2 1 307.438 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578288 764709980 /nfs/dbraw/zinc/70/99/80/764709980.db2.gz USOASUGKPDXQHJ-OWCLPIDISA-N 2 1 307.438 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578288 764709988 /nfs/dbraw/zinc/70/99/88/764709988.db2.gz USOASUGKPDXQHJ-OWCLPIDISA-N 2 1 307.438 0.272 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579730 764711071 /nfs/dbraw/zinc/71/10/71/764711071.db2.gz MODUBHCQXKBXHH-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722601 765112790 /nfs/dbraw/zinc/11/27/90/765112790.db2.gz VPGKSCFELRWZTD-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819898 765150854 /nfs/dbraw/zinc/15/08/54/765150854.db2.gz QSCPNITYLONDMV-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850094 765182341 /nfs/dbraw/zinc/18/23/41/765182341.db2.gz IXHABWJXBYNKTH-OAHLLOKOSA-N 2 1 322.453 0.235 20 30 DCEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133865695 765191795 /nfs/dbraw/zinc/19/17/95/765191795.db2.gz FDKPBBNLFPDNKI-CJNGLKHVSA-N 2 1 300.406 0.962 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038260 765559798 /nfs/dbraw/zinc/55/97/98/765559798.db2.gz KUHXLVBOAWYJGE-QLPKVWCKSA-N 2 1 305.422 0.167 20 30 DCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115119341 765596943 /nfs/dbraw/zinc/59/69/43/765596943.db2.gz VIZYMTDSTIDABN-IMRBUKKESA-N 2 1 301.818 0.364 20 30 DCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115119341 765596949 /nfs/dbraw/zinc/59/69/49/765596949.db2.gz VIZYMTDSTIDABN-IMRBUKKESA-N 2 1 301.818 0.364 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134606773 765600119 /nfs/dbraw/zinc/60/01/19/765600119.db2.gz ASJDFUIUDTWMJH-KBPBESRZSA-N 2 1 324.469 0.646 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976211 766197857 /nfs/dbraw/zinc/19/78/57/766197857.db2.gz HWSSNVSISJADCX-KGLIPLIRSA-N 2 1 312.458 0.503 20 30 DCEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572629 766326692 /nfs/dbraw/zinc/32/66/92/766326692.db2.gz HFGVNQIWTDCMSL-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572629 766326697 /nfs/dbraw/zinc/32/66/97/766326697.db2.gz HFGVNQIWTDCMSL-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572629 766326701 /nfs/dbraw/zinc/32/67/01/766326701.db2.gz HFGVNQIWTDCMSL-GJZGRUSLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731828 766528544 /nfs/dbraw/zinc/52/85/44/766528544.db2.gz WYKMWYUQUFGUCG-GJZGRUSLSA-N 2 1 307.438 0.600 20 30 DCEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC[NH+](CCO)CCO ZINC001171178479 766899948 /nfs/dbraw/zinc/89/99/48/766899948.db2.gz GQPQHWHBJGGETD-OAHLLOKOSA-N 2 1 305.422 0.756 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881260 768896909 /nfs/dbraw/zinc/89/69/09/768896909.db2.gz JMIVTHKOKPAWIS-HOTGVXAUSA-N 2 1 309.454 0.803 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001151049580 769245900 /nfs/dbraw/zinc/24/59/00/769245900.db2.gz SNKZGYYFCSDGCH-ZDUSSCGKSA-N 2 1 304.369 0.855 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001151049332 769246460 /nfs/dbraw/zinc/24/64/60/769246460.db2.gz MGMBIUWWBSLDHC-AWEZNQCLSA-N 2 1 304.369 0.855 20 30 DCEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072385 770011873 /nfs/dbraw/zinc/01/18/73/770011873.db2.gz RTDXAUBDUBTNIT-LLVKDONJSA-N 2 1 304.232 0.943 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154836538 770311299 /nfs/dbraw/zinc/31/12/99/770311299.db2.gz CZAOXICBNLYGEF-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001154836538 770311311 /nfs/dbraw/zinc/31/13/11/770311311.db2.gz CZAOXICBNLYGEF-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001154836538 770311322 /nfs/dbraw/zinc/31/13/22/770311322.db2.gz CZAOXICBNLYGEF-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183464543 771652539 /nfs/dbraw/zinc/65/25/39/771652539.db2.gz DADSFRVKFXMYGU-HLLBOEOZSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183464543 771652546 /nfs/dbraw/zinc/65/25/46/771652546.db2.gz DADSFRVKFXMYGU-HLLBOEOZSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157899797 771689190 /nfs/dbraw/zinc/68/91/90/771689190.db2.gz VTALKFRMMLJQLI-CABCVRRESA-N 2 1 324.469 0.646 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183765238 771698743 /nfs/dbraw/zinc/69/87/43/771698743.db2.gz QXDRNQHFPDEJGT-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001158372571 771765152 /nfs/dbraw/zinc/76/51/52/771765152.db2.gz MGCPDPPGUTXCJL-RBSFLKMASA-N 2 1 322.453 0.209 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158750529 771817981 /nfs/dbraw/zinc/81/79/81/771817981.db2.gz LLPWKNHLHXTECL-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(C)oc1C ZINC001160209802 772010305 /nfs/dbraw/zinc/01/03/05/772010305.db2.gz XHJYQXKIGIYUSH-INIZCTEOSA-N 2 1 318.421 0.985 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(C)oc1C ZINC001160209802 772010310 /nfs/dbraw/zinc/01/03/10/772010310.db2.gz XHJYQXKIGIYUSH-INIZCTEOSA-N 2 1 318.421 0.985 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001187443390 772187360 /nfs/dbraw/zinc/18/73/60/772187360.db2.gz QNZFDABRHNDBHH-WBVHZDCISA-N 2 1 307.438 0.865 20 30 DCEDMP C#C[C@](C)([NH3+])C(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1 ZINC001161309822 772201852 /nfs/dbraw/zinc/20/18/52/772201852.db2.gz VRXCPAREJQTHBY-INIZCTEOSA-N 2 1 317.393 0.229 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161649697 772259409 /nfs/dbraw/zinc/25/94/09/772259409.db2.gz SHQUFNNPYXREHW-HNNXBMFYSA-N 2 1 324.469 0.505 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001188138728 772270827 /nfs/dbraw/zinc/27/08/27/772270827.db2.gz APQJQEIBUZEAQY-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001189471565 772477549 /nfs/dbraw/zinc/47/75/49/772477549.db2.gz WAGRXBORVFXHMA-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001189471565 772477552 /nfs/dbraw/zinc/47/75/52/772477552.db2.gz WAGRXBORVFXHMA-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163820940 772577557 /nfs/dbraw/zinc/57/75/57/772577557.db2.gz JUVUEBSRMJJKGG-AWEZNQCLSA-N 2 1 322.453 0.259 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149271 772590162 /nfs/dbraw/zinc/59/01/62/772590162.db2.gz WDWSSEDFKCVVSL-ARFHVFGLSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149271 772590168 /nfs/dbraw/zinc/59/01/68/772590168.db2.gz WDWSSEDFKCVVSL-ARFHVFGLSA-N 2 1 305.422 0.121 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149271 772590171 /nfs/dbraw/zinc/59/01/71/772590171.db2.gz WDWSSEDFKCVVSL-ARFHVFGLSA-N 2 1 305.422 0.121 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166627382 772831136 /nfs/dbraw/zinc/83/11/36/772831136.db2.gz UOBSRQRHXGFVBS-KGLIPLIRSA-N 2 1 310.442 0.257 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353090 772909546 /nfs/dbraw/zinc/90/95/46/772909546.db2.gz ADGYYJAUCOVMNQ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192353090 772909547 /nfs/dbraw/zinc/90/95/47/772909547.db2.gz ADGYYJAUCOVMNQ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192353090 772909548 /nfs/dbraw/zinc/90/95/48/772909548.db2.gz ADGYYJAUCOVMNQ-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001192844585 772968453 /nfs/dbraw/zinc/96/84/53/772968453.db2.gz YQPGGXPGVLFEOP-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001192844585 772968456 /nfs/dbraw/zinc/96/84/56/772968456.db2.gz YQPGGXPGVLFEOP-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001192844585 772968459 /nfs/dbraw/zinc/96/84/59/772968459.db2.gz YQPGGXPGVLFEOP-BZUAXINKSA-N 2 1 309.454 0.987 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026700 773140847 /nfs/dbraw/zinc/14/08/47/773140847.db2.gz IYOMOPPHFXPHSG-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](C)OC)C2)CC1 ZINC001194247350 773167655 /nfs/dbraw/zinc/16/76/55/773167655.db2.gz XBNACOJAMLXRAI-WBVHZDCISA-N 2 1 321.465 0.899 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545225 773231727 /nfs/dbraw/zinc/23/17/27/773231727.db2.gz KXWHBQCVKBWWKI-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545225 773231730 /nfs/dbraw/zinc/23/17/30/773231730.db2.gz KXWHBQCVKBWWKI-HUUCEWRRSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194996813 773303054 /nfs/dbraw/zinc/30/30/54/773303054.db2.gz IERKJQIWFFJPFK-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194996813 773303061 /nfs/dbraw/zinc/30/30/61/773303061.db2.gz IERKJQIWFFJPFK-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194996813 773303070 /nfs/dbraw/zinc/30/30/70/773303070.db2.gz IERKJQIWFFJPFK-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194996813 773303077 /nfs/dbraw/zinc/30/30/77/773303077.db2.gz IERKJQIWFFJPFK-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCN(CC[N@@H+](C)CCN1CC[NH+](C)CC1)C(=O)OCC ZINC001209022210 773552253 /nfs/dbraw/zinc/55/22/53/773552253.db2.gz JGNOHILGPSRKGF-UHFFFAOYSA-N 2 1 312.458 0.810 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209632214 773626995 /nfs/dbraw/zinc/62/69/95/773626995.db2.gz LFAFLOITQGYYJF-HUUCEWRRSA-N 2 1 322.453 0.354 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158487 773707221 /nfs/dbraw/zinc/70/72/21/773707221.db2.gz QRPJCTQMSKPRCU-HOTGVXAUSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158487 773707227 /nfs/dbraw/zinc/70/72/27/773707227.db2.gz QRPJCTQMSKPRCU-HOTGVXAUSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158487 773707230 /nfs/dbraw/zinc/70/72/30/773707230.db2.gz QRPJCTQMSKPRCU-HOTGVXAUSA-N 2 1 307.438 0.368 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158487 773707234 /nfs/dbraw/zinc/70/72/34/773707234.db2.gz QRPJCTQMSKPRCU-HOTGVXAUSA-N 2 1 307.438 0.368 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210495324 773715122 /nfs/dbraw/zinc/71/51/22/773715122.db2.gz ZANXNBJZPXAEOT-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200547063 774366364 /nfs/dbraw/zinc/36/63/64/774366364.db2.gz LKBUFQJVSWAFGE-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200636323 774381809 /nfs/dbraw/zinc/38/18/09/774381809.db2.gz YAFUYRBFJKNZGI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200795443 774409578 /nfs/dbraw/zinc/40/95/78/774409578.db2.gz KLCRFJYEHBVPPP-QLFBSQMISA-N 2 1 311.426 0.099 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200795443 774409582 /nfs/dbraw/zinc/40/95/82/774409582.db2.gz KLCRFJYEHBVPPP-QLFBSQMISA-N 2 1 311.426 0.099 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201405070 774501941 /nfs/dbraw/zinc/50/19/41/774501941.db2.gz ZUYVKXQKCXOLOJ-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724391 774591587 /nfs/dbraw/zinc/59/15/87/774591587.db2.gz JPIQJKVZFAYQLH-KFWWJZLASA-N 2 1 315.433 0.794 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482135 774822044 /nfs/dbraw/zinc/82/20/44/774822044.db2.gz CJRBMQPRKKASNG-CABCVRRESA-N 2 1 318.421 0.581 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482135 774822052 /nfs/dbraw/zinc/82/20/52/774822052.db2.gz CJRBMQPRKKASNG-CABCVRRESA-N 2 1 318.421 0.581 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]cn1 ZINC001114387019 774827658 /nfs/dbraw/zinc/82/76/58/774827658.db2.gz HWIGHOIXQLTJCJ-FOLVSLTJSA-N 2 1 304.394 0.591 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnc[nH]1 ZINC001114387019 774827665 /nfs/dbraw/zinc/82/76/65/774827665.db2.gz HWIGHOIXQLTJCJ-FOLVSLTJSA-N 2 1 304.394 0.591 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnc[nH]1 ZINC001114387019 774827670 /nfs/dbraw/zinc/82/76/70/774827670.db2.gz HWIGHOIXQLTJCJ-FOLVSLTJSA-N 2 1 304.394 0.591 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405315 774841537 /nfs/dbraw/zinc/84/15/37/774841537.db2.gz QLAZNUWXQYNZPS-QXSJWSMHSA-N 2 1 317.437 0.436 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405315 774841547 /nfs/dbraw/zinc/84/15/47/774841547.db2.gz QLAZNUWXQYNZPS-QXSJWSMHSA-N 2 1 317.437 0.436 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114425467 774856200 /nfs/dbraw/zinc/85/62/00/774856200.db2.gz DFIHEULOTUCOPG-LISAXSMJSA-N 2 1 319.449 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114425467 774856207 /nfs/dbraw/zinc/85/62/07/774856207.db2.gz DFIHEULOTUCOPG-LISAXSMJSA-N 2 1 319.449 0.557 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114425467 774856219 /nfs/dbraw/zinc/85/62/19/774856219.db2.gz DFIHEULOTUCOPG-LISAXSMJSA-N 2 1 319.449 0.557 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114440850 774867798 /nfs/dbraw/zinc/86/77/98/774867798.db2.gz YEGNMMOYISBAOX-JJXSEGSLSA-N 2 1 307.438 0.269 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790671 775196750 /nfs/dbraw/zinc/19/67/50/775196750.db2.gz UYEMDTFQHNSWLN-IAGOWNOFSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790671 775196757 /nfs/dbraw/zinc/19/67/57/775196757.db2.gz UYEMDTFQHNSWLN-IAGOWNOFSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994127 775382761 /nfs/dbraw/zinc/38/27/61/775382761.db2.gz PHZFYEYSSVPLDZ-WCXIOVBPSA-N 2 1 321.465 0.944 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994127 775382769 /nfs/dbraw/zinc/38/27/69/775382769.db2.gz PHZFYEYSSVPLDZ-WCXIOVBPSA-N 2 1 321.465 0.944 20 30 DCEDMP C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001111308951 775727385 /nfs/dbraw/zinc/72/73/85/775727385.db2.gz FRHVYSZRWPKYGB-KFWWJZLASA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227797826 776007629 /nfs/dbraw/zinc/00/76/29/776007629.db2.gz NECRROXOGHASSY-MRXNPFEDSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOCC=C)CC1 ZINC001227849672 776016429 /nfs/dbraw/zinc/01/64/29/776016429.db2.gz ZQGXZPLRQIVTID-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOCC=C)CC1 ZINC001227849672 776016433 /nfs/dbraw/zinc/01/64/33/776016433.db2.gz ZQGXZPLRQIVTID-KRWDZBQOSA-N 2 1 319.449 0.867 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662328 776017035 /nfs/dbraw/zinc/01/70/35/776017035.db2.gz HYSXNVNPYDVJPT-ZSHCYNCHSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230101417 776252665 /nfs/dbraw/zinc/25/26/65/776252665.db2.gz MDWUJUNZWITFEY-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001230101417 776252676 /nfs/dbraw/zinc/25/26/76/776252676.db2.gz MDWUJUNZWITFEY-UHFFFAOYSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001230105181 776253038 /nfs/dbraw/zinc/25/30/38/776253038.db2.gz BQXGHQLZECTHAU-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001230105181 776253043 /nfs/dbraw/zinc/25/30/43/776253043.db2.gz BQXGHQLZECTHAU-CQSZACIVSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042271089 777822243 /nfs/dbraw/zinc/82/22/43/777822243.db2.gz WGCDUUFBGRNPCE-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042271089 777822254 /nfs/dbraw/zinc/82/22/54/777822254.db2.gz WGCDUUFBGRNPCE-SJORKVTESA-N 2 1 319.449 0.655 20 30 DCEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001278140129 945151786 /nfs/dbraw/zinc/15/17/86/945151786.db2.gz XZVKYXWTCQBIJS-CABCVRRESA-N 2 1 320.437 0.787 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266883988 939265106 /nfs/dbraw/zinc/26/51/06/939265106.db2.gz JGJUGPQBTDVSRT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266883988 939265108 /nfs/dbraw/zinc/26/51/08/939265108.db2.gz JGJUGPQBTDVSRT-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266883960 939265488 /nfs/dbraw/zinc/26/54/88/939265488.db2.gz IHJFEHGHAFCVJF-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267071278 939331498 /nfs/dbraw/zinc/33/14/98/939331498.db2.gz UEZCJZRKRQOKBZ-CABCVRRESA-N 2 1 324.469 0.455 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001481120848 939572367 /nfs/dbraw/zinc/57/23/67/939572367.db2.gz MUBSODYPMIDSBY-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001481120848 939572369 /nfs/dbraw/zinc/57/23/69/939572369.db2.gz MUBSODYPMIDSBY-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001481120848 939572371 /nfs/dbraw/zinc/57/23/71/939572371.db2.gz MUBSODYPMIDSBY-MRXNPFEDSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267808993 939686508 /nfs/dbraw/zinc/68/65/08/939686508.db2.gz CLTQNYJSXWCTRR-UONOGXRCSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001481472108 939885546 /nfs/dbraw/zinc/88/55/46/939885546.db2.gz YTMULNSAJFDCGX-MRXNPFEDSA-N 2 1 306.454 0.037 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001481472108 939885548 /nfs/dbraw/zinc/88/55/48/939885548.db2.gz YTMULNSAJFDCGX-MRXNPFEDSA-N 2 1 306.454 0.037 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481526642 939918164 /nfs/dbraw/zinc/91/81/64/939918164.db2.gz SSUSWSRJWNXBCH-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481526642 939918168 /nfs/dbraw/zinc/91/81/68/939918168.db2.gz SSUSWSRJWNXBCH-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481538782 939925844 /nfs/dbraw/zinc/92/58/44/939925844.db2.gz SUUIYTLIMZPSGT-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC001268283119 940018158 /nfs/dbraw/zinc/01/81/58/940018158.db2.gz YHIDOBXCLISHKJ-ZBFHGGJFSA-N 2 1 318.421 0.867 20 30 DCEDMP COCC#CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001482052076 940233795 /nfs/dbraw/zinc/23/37/95/940233795.db2.gz ZPEIZQBLDAQQGD-KRWDZBQOSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCOC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(=O)OCC=C ZINC001245999921 945310738 /nfs/dbraw/zinc/31/07/38/945310738.db2.gz KIJJDFIDIWYNGU-KGLIPLIRSA-N 2 1 300.399 0.366 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268811617 940368917 /nfs/dbraw/zinc/36/89/17/940368917.db2.gz PHIIDZAMTWIGAB-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001268900480 940402198 /nfs/dbraw/zinc/40/21/98/940402198.db2.gz HRWCHGKIDPHCEF-UKRRQHHQSA-N 2 1 324.469 0.311 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001270165810 940847740 /nfs/dbraw/zinc/84/77/40/940847740.db2.gz QNKOGLVCLFCUHT-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001280376967 941315698 /nfs/dbraw/zinc/31/56/98/941315698.db2.gz ZYLCQQQLVFOCOB-WKILWMFISA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001271592367 941407828 /nfs/dbraw/zinc/40/78/28/941407828.db2.gz RANYIKSPYVKVLU-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001482799225 941675168 /nfs/dbraw/zinc/67/51/68/941675168.db2.gz NYAULVQBKJKRKB-HOTGVXAUSA-N 2 1 303.406 0.379 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCOC(C)C)C1 ZINC001493209669 942191066 /nfs/dbraw/zinc/19/10/66/942191066.db2.gz ABVQUZQMTCTLQY-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCOC(C)C)C1 ZINC001493209669 942191068 /nfs/dbraw/zinc/19/10/68/942191068.db2.gz ABVQUZQMTCTLQY-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCOC(C)C)C1 ZINC001493209669 942191070 /nfs/dbraw/zinc/19/10/70/942191070.db2.gz ABVQUZQMTCTLQY-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCOC(C)C)C1 ZINC001493209669 942191075 /nfs/dbraw/zinc/19/10/75/942191075.db2.gz ABVQUZQMTCTLQY-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001483349848 942290002 /nfs/dbraw/zinc/29/00/02/942290002.db2.gz KAIBMAHBUUULTL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001483349848 942290005 /nfs/dbraw/zinc/29/00/05/942290005.db2.gz KAIBMAHBUUULTL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483349848 942290008 /nfs/dbraw/zinc/29/00/08/942290008.db2.gz KAIBMAHBUUULTL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001483349848 942290009 /nfs/dbraw/zinc/29/00/09/942290009.db2.gz KAIBMAHBUUULTL-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001272520752 942799589 /nfs/dbraw/zinc/79/95/89/942799589.db2.gz KFSPUMUZAUBYNX-GOEBONIOSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CCN1C[C@]2(CC[N@@H+](Cc3c[nH]c4ccncc34)C2)OCC1=O ZINC001272674298 942940386 /nfs/dbraw/zinc/94/03/86/942940386.db2.gz YADROHSJKLNKKH-GOSISDBHSA-N 2 1 324.384 0.999 20 30 DCEDMP C#CCN1C[C@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)OCC1=O ZINC001272674298 942940398 /nfs/dbraw/zinc/94/03/98/942940398.db2.gz YADROHSJKLNKKH-GOSISDBHSA-N 2 1 324.384 0.999 20 30 DCEDMP C#CCN1C[C@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)OCC1=O ZINC001272674298 942940402 /nfs/dbraw/zinc/94/04/02/942940402.db2.gz YADROHSJKLNKKH-GOSISDBHSA-N 2 1 324.384 0.999 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483941865 943040395 /nfs/dbraw/zinc/04/03/95/943040395.db2.gz GMNMGRCKGILDTL-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCO)CC1 ZINC001484393838 943349531 /nfs/dbraw/zinc/34/95/31/943349531.db2.gz CHKSOLVZXKWQEG-ULQDDVLXSA-N 2 1 321.465 0.589 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCO)CC1 ZINC001484393838 943349537 /nfs/dbraw/zinc/34/95/37/943349537.db2.gz CHKSOLVZXKWQEG-ULQDDVLXSA-N 2 1 321.465 0.589 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484839511 943589684 /nfs/dbraw/zinc/58/96/84/943589684.db2.gz LCOVWWYUUMZOER-NVXWUHKLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC(=O)N(C)C ZINC001485727271 944101554 /nfs/dbraw/zinc/10/15/54/944101554.db2.gz UIXDHTVESWHIEH-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC(=O)N(C)C ZINC001485727271 944101559 /nfs/dbraw/zinc/10/15/59/944101559.db2.gz UIXDHTVESWHIEH-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001494108486 944261711 /nfs/dbraw/zinc/26/17/11/944261711.db2.gz PUEOBMNZOQVDID-MRXNPFEDSA-N 2 1 308.470 0.590 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001486097484 944554524 /nfs/dbraw/zinc/55/45/24/944554524.db2.gz UERYMHOJCDBAMW-HIFRSBDPSA-N 2 1 306.410 0.973 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181467 944626848 /nfs/dbraw/zinc/62/68/48/944626848.db2.gz SUHYLRYQNOPDDN-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181467 944626849 /nfs/dbraw/zinc/62/68/49/944626849.db2.gz SUHYLRYQNOPDDN-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001318492186 945386376 /nfs/dbraw/zinc/38/63/76/945386376.db2.gz OJOSPIJANOYTDG-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001318492186 945386384 /nfs/dbraw/zinc/38/63/84/945386384.db2.gz OJOSPIJANOYTDG-IAGOWNOFSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC[C@@H](C)O ZINC001319080771 945493812 /nfs/dbraw/zinc/49/38/12/945493812.db2.gz LHUSKRQZTZTBMV-ZACQAIPSSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC[C@@H](C)O ZINC001319080771 945493817 /nfs/dbraw/zinc/49/38/17/945493817.db2.gz LHUSKRQZTZTBMV-ZACQAIPSSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nccn1C ZINC001319196186 945517769 /nfs/dbraw/zinc/51/77/69/945517769.db2.gz LMBJOYGTJBTHHM-GJZGRUSLSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nccn1C ZINC001319196186 945517774 /nfs/dbraw/zinc/51/77/74/945517774.db2.gz LMBJOYGTJBTHHM-GJZGRUSLSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC001320235963 945780590 /nfs/dbraw/zinc/78/05/90/945780590.db2.gz SWFIKVQDZKZFHU-CVEARBPZSA-N 2 1 321.465 0.587 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC001320235963 945780595 /nfs/dbraw/zinc/78/05/95/945780595.db2.gz SWFIKVQDZKZFHU-CVEARBPZSA-N 2 1 321.465 0.587 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001278755857 946219114 /nfs/dbraw/zinc/21/91/14/946219114.db2.gz IMGOLDCHHOFVFY-UONOGXRCSA-N 2 1 306.410 0.439 20 30 DCEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001278797710 946414245 /nfs/dbraw/zinc/41/42/45/946414245.db2.gz LGZJSWSUPUZTQF-SJORKVTESA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001278809835 946428459 /nfs/dbraw/zinc/42/84/59/946428459.db2.gz HOXJETIKHXSZKN-WMZOPIPTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001278859565 946492405 /nfs/dbraw/zinc/49/24/05/946492405.db2.gz DKZZJFYRRYVWMT-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001278859565 946492410 /nfs/dbraw/zinc/49/24/10/946492410.db2.gz DKZZJFYRRYVWMT-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001278859565 946492412 /nfs/dbraw/zinc/49/24/12/946492412.db2.gz DKZZJFYRRYVWMT-HZPDHXFCSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N[C@H](C)CC ZINC001321876945 946495707 /nfs/dbraw/zinc/49/57/07/946495707.db2.gz ZLLLMJSNIBTAID-ILXRZTDVSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N[C@H](C)CC ZINC001321876945 946495710 /nfs/dbraw/zinc/49/57/10/946495710.db2.gz ZLLLMJSNIBTAID-ILXRZTDVSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)CCCO)C(C)C)CC1 ZINC001278929541 946611295 /nfs/dbraw/zinc/61/12/95/946611295.db2.gz HDBPAASNFIGOBZ-UHFFFAOYSA-N 2 1 323.481 0.883 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001324641544 947488434 /nfs/dbraw/zinc/48/84/34/947488434.db2.gz LYESPJWKTOZKMA-XYJFISCASA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001324641544 947488441 /nfs/dbraw/zinc/48/84/41/947488441.db2.gz LYESPJWKTOZKMA-XYJFISCASA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001324641544 947488445 /nfs/dbraw/zinc/48/84/45/947488445.db2.gz LYESPJWKTOZKMA-XYJFISCASA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001440629018 947556332 /nfs/dbraw/zinc/55/63/32/947556332.db2.gz VRNQQVXWXPZXMI-CYBMUJFWSA-N 2 1 315.845 0.776 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001273465704 947906968 /nfs/dbraw/zinc/90/69/68/947906968.db2.gz LTVHZAWIEFBKJV-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001327564331 948552802 /nfs/dbraw/zinc/55/28/02/948552802.db2.gz QKEDNFSVSGHLAG-INMHGKMJSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001264079986 948870482 /nfs/dbraw/zinc/87/04/82/948870482.db2.gz DCTMMHXPXUTXOI-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001264079986 948870498 /nfs/dbraw/zinc/87/04/98/948870498.db2.gz DCTMMHXPXUTXOI-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001264079986 948870508 /nfs/dbraw/zinc/87/05/08/948870508.db2.gz DCTMMHXPXUTXOI-CVEARBPZSA-N 2 1 307.438 0.247 20 30 DCEDMP C=C(C)CN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001328548052 948959426 /nfs/dbraw/zinc/95/94/26/948959426.db2.gz QIOBQZQBYIKGGA-UHFFFAOYSA-N 2 1 324.469 0.505 20 30 DCEDMP C=C(C)CN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001328548052 948959440 /nfs/dbraw/zinc/95/94/40/948959440.db2.gz QIOBQZQBYIKGGA-UHFFFAOYSA-N 2 1 324.469 0.505 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCOC)C1 ZINC001265391168 949652993 /nfs/dbraw/zinc/65/29/93/949652993.db2.gz VBGROPCCKBSMLT-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCOC)C1 ZINC001265391168 949653004 /nfs/dbraw/zinc/65/30/04/949653004.db2.gz VBGROPCCKBSMLT-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCOC)C1 ZINC001265391168 949653013 /nfs/dbraw/zinc/65/30/13/949653013.db2.gz VBGROPCCKBSMLT-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCOC)C1 ZINC001265391168 949653025 /nfs/dbraw/zinc/65/30/25/949653025.db2.gz VBGROPCCKBSMLT-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001329657241 949758165 /nfs/dbraw/zinc/75/81/65/949758165.db2.gz XCURAOJKMZPHPI-MRXNPFEDSA-N 2 1 321.465 0.847 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001280361603 950824122 /nfs/dbraw/zinc/82/41/22/950824122.db2.gz VZNPEUPDZNOQFA-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001280361603 950824146 /nfs/dbraw/zinc/82/41/46/950824146.db2.gz VZNPEUPDZNOQFA-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001331160318 950978356 /nfs/dbraw/zinc/97/83/56/950978356.db2.gz BDPKWMDKJVEIDO-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001281144392 951326309 /nfs/dbraw/zinc/32/63/09/951326309.db2.gz CLZBEBZOQFLJSC-BQFCYCMXSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC=C(C)C ZINC001332634558 951736030 /nfs/dbraw/zinc/73/60/30/951736030.db2.gz YRULAAMAHNKVDN-IRXDYDNUSA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC=C(C)C ZINC001332634558 951736033 /nfs/dbraw/zinc/73/60/33/951736033.db2.gz YRULAAMAHNKVDN-IRXDYDNUSA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC=C(C)C ZINC001332634558 951736038 /nfs/dbraw/zinc/73/60/38/951736038.db2.gz YRULAAMAHNKVDN-IRXDYDNUSA-N 2 1 321.465 0.801 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC=C(C)C ZINC001332634558 951736043 /nfs/dbraw/zinc/73/60/43/951736043.db2.gz YRULAAMAHNKVDN-IRXDYDNUSA-N 2 1 321.465 0.801 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275828245 952483786 /nfs/dbraw/zinc/48/37/86/952483786.db2.gz VYHXDFFVABGFSL-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001275828245 952483789 /nfs/dbraw/zinc/48/37/89/952483789.db2.gz VYHXDFFVABGFSL-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001275828245 952483791 /nfs/dbraw/zinc/48/37/91/952483791.db2.gz VYHXDFFVABGFSL-JKSUJKDBSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001316626212 954272142 /nfs/dbraw/zinc/27/21/42/954272142.db2.gz ZNPSBVWVCXFVTQ-OAGGEKHMSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001283617890 954486009 /nfs/dbraw/zinc/48/60/09/954486009.db2.gz MYFUBPUSVBWGAF-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001284508578 955142917 /nfs/dbraw/zinc/14/29/17/955142917.db2.gz FEECZCUJMDJJKU-DLBZAZTESA-N 2 1 323.481 0.883 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001284508578 955142927 /nfs/dbraw/zinc/14/29/27/955142927.db2.gz FEECZCUJMDJJKU-DLBZAZTESA-N 2 1 323.481 0.883 20 30 DCEDMP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367579169 958102840 /nfs/dbraw/zinc/10/28/40/958102840.db2.gz KPHZYXPDFVYNRR-MNOVXSKESA-N 2 1 320.231 0.056 20 30 DCEDMP C=C(Cl)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001379408317 962853639 /nfs/dbraw/zinc/85/36/39/962853639.db2.gz VCYIDDBGWHAVAD-OLZOCXBDSA-N 2 1 303.834 0.678 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001379408317 962853647 /nfs/dbraw/zinc/85/36/47/962853647.db2.gz VCYIDDBGWHAVAD-OLZOCXBDSA-N 2 1 303.834 0.678 20 30 DCEDMP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379524630 963125381 /nfs/dbraw/zinc/12/53/81/963125381.db2.gz HWIOLPOMRUBQCK-INIZCTEOSA-N 2 1 318.421 0.465 20 30 DCEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC001379524630 963125385 /nfs/dbraw/zinc/12/53/85/963125385.db2.gz HWIOLPOMRUBQCK-INIZCTEOSA-N 2 1 318.421 0.465 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001369383181 964865187 /nfs/dbraw/zinc/86/51/87/964865187.db2.gz MOJNEXHNYHNZLU-HOTGVXAUSA-N 2 1 316.405 0.077 20 30 DCEDMP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001381617168 966585259 /nfs/dbraw/zinc/58/52/59/966585259.db2.gz KCHZDAQXLWTYRY-CHWSQXEVSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001381617168 966585261 /nfs/dbraw/zinc/58/52/61/966585261.db2.gz KCHZDAQXLWTYRY-CHWSQXEVSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001392219000 991622252 /nfs/dbraw/zinc/62/22/52/991622252.db2.gz VXCJVUGDHNXZBJ-OLZOCXBDSA-N 2 1 303.834 0.800 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001392219000 991622255 /nfs/dbraw/zinc/62/22/55/991622255.db2.gz VXCJVUGDHNXZBJ-OLZOCXBDSA-N 2 1 303.834 0.800 20 30 DCEDMP CC#CCN1CCC(CO)(NC(=O)CCCn2ccnc2)CC1 ZINC001505392847 1016207838 /nfs/dbraw/zinc/20/78/38/1016207838.db2.gz JQAQPHJILYUJPD-UHFFFAOYSA-N 2 1 318.421 0.630 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001507507902 1016433487 /nfs/dbraw/zinc/43/34/87/1016433487.db2.gz WFKRIEQXEIVFAS-JKSUJKDBSA-N 2 1 309.454 0.682 20 30 DCEDMP C=C(Cl)CN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402287416 1001179104 /nfs/dbraw/zinc/17/91/04/1001179104.db2.gz KKHYWOMBGXUOMH-GXTWGEPZSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402287416 1001179107 /nfs/dbraw/zinc/17/91/07/1001179107.db2.gz KKHYWOMBGXUOMH-GXTWGEPZSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402287416 1001179112 /nfs/dbraw/zinc/17/91/12/1001179112.db2.gz KKHYWOMBGXUOMH-GXTWGEPZSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402287416 1001179119 /nfs/dbraw/zinc/17/91/19/1001179119.db2.gz KKHYWOMBGXUOMH-GXTWGEPZSA-N 2 1 301.818 0.244 20 30 DCEDMP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402287416 1001179123 /nfs/dbraw/zinc/17/91/23/1001179123.db2.gz KKHYWOMBGXUOMH-GXTWGEPZSA-N 2 1 301.818 0.244 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001508229888 1016726021 /nfs/dbraw/zinc/72/60/21/1016726021.db2.gz OMWOHHAVONXOCR-HNNXBMFYSA-N 2 1 305.422 0.336 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001442337096 1009193554 /nfs/dbraw/zinc/19/35/54/1009193554.db2.gz LZYQBNKAOZLGOP-OLZOCXBDSA-N 2 1 303.834 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001442337096 1009193560 /nfs/dbraw/zinc/19/35/60/1009193560.db2.gz LZYQBNKAOZLGOP-OLZOCXBDSA-N 2 1 303.834 0.944 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001478142663 1017325262 /nfs/dbraw/zinc/32/52/62/1017325262.db2.gz MTLZKDNQJCXDRP-CVEARBPZSA-N 2 1 322.453 0.494 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001506907366 1017656917 /nfs/dbraw/zinc/65/69/17/1017656917.db2.gz RGSYEDBTYDLWCD-BRWVUGGUSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001499997955 1018165076 /nfs/dbraw/zinc/16/50/76/1018165076.db2.gz YHTUXDUAWASHBP-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001480115183 1018218303 /nfs/dbraw/zinc/21/83/03/1018218303.db2.gz MBPKRCGSYVKSDA-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480168156 1018276803 /nfs/dbraw/zinc/27/68/03/1018276803.db2.gz YADJUPOYTRPPDA-AJNGGQMLSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480368147 1018468953 /nfs/dbraw/zinc/46/89/53/1018468953.db2.gz WJXIFIRBLLAUPN-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001495667345 1018637461 /nfs/dbraw/zinc/63/74/61/1018637461.db2.gz QJWMVXOGURQZFT-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480674282 1018764124 /nfs/dbraw/zinc/76/41/24/1018764124.db2.gz MYGABGKDPPDAHT-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCn1cccn1 ZINC001493578940 1019535409 /nfs/dbraw/zinc/53/54/09/1019535409.db2.gz ORKAMSWHQOUUJW-HNNXBMFYSA-N 2 1 303.410 0.029 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCn1cccn1 ZINC001493578940 1019535420 /nfs/dbraw/zinc/53/54/20/1019535420.db2.gz ORKAMSWHQOUUJW-HNNXBMFYSA-N 2 1 303.410 0.029 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001501894841 1019540895 /nfs/dbraw/zinc/54/08/95/1019540895.db2.gz LHCIWOHKSDEWMA-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001494093036 1019977911 /nfs/dbraw/zinc/97/79/11/1019977911.db2.gz VHOSICPGTFWXQJ-UHFFFAOYSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001494179241 1020052398 /nfs/dbraw/zinc/05/23/98/1020052398.db2.gz CSDKRCUBXSBDIE-DLBZAZTESA-N 2 1 321.465 0.758 20 30 DCEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000103338423 395772535 /nfs/dbraw/zinc/77/25/35/395772535.db2.gz CSAMCQZDSGEOBW-CQSZACIVSA-N 2 1 307.442 0.828 20 30 DCEDMP C=CCOc1ccccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594737029 396503640 /nfs/dbraw/zinc/50/36/40/396503640.db2.gz WBDGOPXLFATIIC-GJZGRUSLSA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1ccccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594737029 396503642 /nfs/dbraw/zinc/50/36/42/396503642.db2.gz WBDGOPXLFATIIC-GJZGRUSLSA-N 2 1 301.390 0.995 20 30 DCEDMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)C1 ZINC000592145127 397103861 /nfs/dbraw/zinc/10/38/61/397103861.db2.gz ODSFMTULQDMVQY-HUUCEWRRSA-N 2 1 307.442 0.246 20 30 DCEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598595230 397253301 /nfs/dbraw/zinc/25/33/01/397253301.db2.gz HFNSAOBPCHRIGM-CVEARBPZSA-N 2 1 308.470 0.999 20 30 DCEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000104156865 415624241 /nfs/dbraw/zinc/62/42/41/415624241.db2.gz LVBYKFAGRPYEEV-CQSZACIVSA-N 2 1 320.437 0.958 20 30 DCEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@H+](C)CCN(C)C ZINC000288741305 415683125 /nfs/dbraw/zinc/68/31/25/415683125.db2.gz PGAYLMYDIOWWLC-UHFFFAOYSA-N 2 1 321.469 0.983 20 30 DCEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@@H+](C)CCN(C)C ZINC000288741305 415683130 /nfs/dbraw/zinc/68/31/30/415683130.db2.gz PGAYLMYDIOWWLC-UHFFFAOYSA-N 2 1 321.469 0.983 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000343767985 415719395 /nfs/dbraw/zinc/71/93/95/415719395.db2.gz RIRDYQSTNJBVAS-UHFFFAOYSA-N 2 1 324.469 0.600 20 30 DCEDMP CN(C)c1cccnc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000290512686 415816816 /nfs/dbraw/zinc/81/68/16/415816816.db2.gz IQDDNMBBYADGCF-UHFFFAOYSA-N 2 1 320.441 0.274 20 30 DCEDMP CN(C)C(=[NH+]Cc1cccnc1N1CC[NH+](C)CC1)N(C)C ZINC000170911982 416036351 /nfs/dbraw/zinc/03/63/51/416036351.db2.gz NYRKSSJVXSWTRS-UHFFFAOYSA-N 2 1 304.442 0.813 20 30 DCEDMP CCO[C@H]1C[C@@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C12CCC2 ZINC000304777526 416103189 /nfs/dbraw/zinc/10/31/89/416103189.db2.gz DPNRPJKHONYQLF-CABCVRRESA-N 2 1 324.469 0.961 20 30 DCEDMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000329652816 416183734 /nfs/dbraw/zinc/18/37/34/416183734.db2.gz DNQISVIYZIQRCC-RRFJBIMHSA-N 2 1 310.442 0.838 20 30 DCEDMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000329652816 416183738 /nfs/dbraw/zinc/18/37/38/416183738.db2.gz DNQISVIYZIQRCC-RRFJBIMHSA-N 2 1 310.442 0.838 20 30 DCEDMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000329652816 416183743 /nfs/dbraw/zinc/18/37/43/416183743.db2.gz DNQISVIYZIQRCC-RRFJBIMHSA-N 2 1 310.442 0.838 20 30 DCEDMP CC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000329859270 416191819 /nfs/dbraw/zinc/19/18/19/416191819.db2.gz WORDUBWUBFRBGP-AWEZNQCLSA-N 2 1 312.458 0.943 20 30 DCEDMP C=CC[C@@H](CO)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000341292774 416206274 /nfs/dbraw/zinc/20/62/74/416206274.db2.gz HMYVGIUEJOWVSY-CQSZACIVSA-N 2 1 305.426 0.503 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000491021928 416583943 /nfs/dbraw/zinc/58/39/43/416583943.db2.gz PEILPZHBFUJLOU-KRWDZBQOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCN1CCN(C(=O)CN2CCC[C@H](OCC3CC3)C2)CC1 ZINC000491021928 416583944 /nfs/dbraw/zinc/58/39/44/416583944.db2.gz PEILPZHBFUJLOU-KRWDZBQOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000491694031 416615508 /nfs/dbraw/zinc/61/55/08/416615508.db2.gz FAXGZKONHNZXMH-UHFFFAOYSA-N 2 1 316.405 0.416 20 30 DCEDMP C[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](C)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000662142635 418384132 /nfs/dbraw/zinc/38/41/32/418384132.db2.gz JHRMPSVVJIFSBL-MHORFTMASA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000662142635 418384135 /nfs/dbraw/zinc/38/41/35/418384135.db2.gz JHRMPSVVJIFSBL-MHORFTMASA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000662142635 418384137 /nfs/dbraw/zinc/38/41/37/418384137.db2.gz JHRMPSVVJIFSBL-MHORFTMASA-N 2 1 308.466 0.890 20 30 DCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC[NH3+])CC2)cc1 ZINC000418293257 268217939 /nfs/dbraw/zinc/21/79/39/268217939.db2.gz DYBFKADRKGBIJL-UHFFFAOYSA-N 2 1 301.394 0.734 20 30 DCEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000103338422 277005053 /nfs/dbraw/zinc/00/50/53/277005053.db2.gz CSAMCQZDSGEOBW-AWEZNQCLSA-N 2 1 307.442 0.828 20 30 DCEDMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC2(O)CCOCC2)CC1 ZINC000328619208 279256116 /nfs/dbraw/zinc/25/61/16/279256116.db2.gz VSZGQYPMJYYZHB-UHFFFAOYSA-N 2 1 313.442 0.901 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001656779496 1173882514 /nfs/dbraw/zinc/88/25/14/1173882514.db2.gz BDZXUGGYRGBJDJ-MRXNPFEDSA-N 2 1 309.454 0.800 20 30 DCEDMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000329795243 336082606 /nfs/dbraw/zinc/08/26/06/336082606.db2.gz CQUDZJZXZHYAPP-SQWLQELKSA-N 2 1 323.485 0.609 20 30 DCEDMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000329819340 336085802 /nfs/dbraw/zinc/08/58/02/336085802.db2.gz GCYYNHPYHBFUOS-KFWWJZLASA-N 2 1 322.453 0.980 20 30 DCEDMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001567739524 1160469697 /nfs/dbraw/zinc/46/96/97/1160469697.db2.gz ZZSBPMYTNOATEE-CVEARBPZSA-N 2 1 309.454 0.757 20 30 DCEDMP COc1ccccc1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264142247 534019987 /nfs/dbraw/zinc/01/99/87/534019987.db2.gz WWHREGZGRKEEKG-UHFFFAOYSA-N 2 1 320.437 0.864 20 30 DCEDMP C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261969857 526346028 /nfs/dbraw/zinc/34/60/28/526346028.db2.gz MMYQSMVQOLHDJZ-GXTWGEPZSA-N 2 1 307.442 0.257 20 30 DCEDMP C=C(C)CNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000170911989 526574941 /nfs/dbraw/zinc/57/49/41/526574941.db2.gz XFMFECWADJHESF-UHFFFAOYSA-N 2 1 302.426 0.814 20 30 DCEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000185531019 527385956 /nfs/dbraw/zinc/38/59/56/527385956.db2.gz KWNPULSNMXIVFW-QWHCGFSZSA-N 2 1 309.458 0.643 20 30 DCEDMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264105306 528816462 /nfs/dbraw/zinc/81/64/62/528816462.db2.gz PDFSLDZYZGAIEU-UHFFFAOYSA-N 2 1 319.457 0.644 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncccc1F ZINC000269476098 529071248 /nfs/dbraw/zinc/07/12/48/529071248.db2.gz NDBOQZVIGHZFHY-GFCCVEGCSA-N 2 1 309.389 0.988 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)o1 ZINC000276684883 529074508 /nfs/dbraw/zinc/07/45/08/529074508.db2.gz UHTNMSBOHFPDKS-LLVKDONJSA-N 2 1 308.382 0.955 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)CC[N@H+]1C ZINC001668065290 1174753140 /nfs/dbraw/zinc/75/31/40/1174753140.db2.gz JEDDEGHHTWXJIV-HRCADAONSA-N 2 1 309.454 0.851 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978737584 660593992 /nfs/dbraw/zinc/59/39/92/660593992.db2.gz PXVGKNVRIVMUHL-QSPRXWTASA-N 2 1 312.417 0.681 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978737584 660593994 /nfs/dbraw/zinc/59/39/94/660593994.db2.gz PXVGKNVRIVMUHL-QSPRXWTASA-N 2 1 312.417 0.681 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)N(C)C)C1 ZINC000980501834 660950249 /nfs/dbraw/zinc/95/02/49/660950249.db2.gz DIMZIZXSZGKLNA-JKSUJKDBSA-N 2 1 300.406 0.850 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036822 661093435 /nfs/dbraw/zinc/09/34/35/661093435.db2.gz IAACDTXKKKRTHO-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036822 661093438 /nfs/dbraw/zinc/09/34/38/661093438.db2.gz IAACDTXKKKRTHO-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036822 661093440 /nfs/dbraw/zinc/09/34/40/661093440.db2.gz IAACDTXKKKRTHO-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522933 657579080 /nfs/dbraw/zinc/57/90/80/657579080.db2.gz QHVWBJPDQTVPGE-HNNXBMFYSA-N 2 1 305.426 0.777 20 30 DCEDMP C#CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000939147981 665502616 /nfs/dbraw/zinc/50/26/16/665502616.db2.gz QKLHNTTWTMLLRQ-CJNGLKHVSA-N 2 1 316.405 0.954 20 30 DCEDMP C#CCCN1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552647 657763939 /nfs/dbraw/zinc/76/39/39/657763939.db2.gz QQPRDBGIQAFGBR-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552647 657763941 /nfs/dbraw/zinc/76/39/41/657763941.db2.gz QQPRDBGIQAFGBR-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552647 657763945 /nfs/dbraw/zinc/76/39/45/657763945.db2.gz QQPRDBGIQAFGBR-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972552647 657763951 /nfs/dbraw/zinc/76/39/51/657763951.db2.gz QQPRDBGIQAFGBR-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCN1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552625 657764512 /nfs/dbraw/zinc/76/45/12/657764512.db2.gz QJXSGINPXVXPOY-RDJZCZTQSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)C[C@@H]1C ZINC000947471375 657823907 /nfs/dbraw/zinc/82/39/07/657823907.db2.gz BJCXLTBDWGNSOB-QWHCGFSZSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)C[C@H]1C ZINC000947471373 657824628 /nfs/dbraw/zinc/82/46/28/657824628.db2.gz BJCXLTBDWGNSOB-CHWSQXEVSA-N 2 1 304.394 0.952 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2CC#C)C1 ZINC001023424137 657846833 /nfs/dbraw/zinc/84/68/33/657846833.db2.gz PNZNQANSFLPPRI-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001023424137 657846845 /nfs/dbraw/zinc/84/68/45/657846845.db2.gz PNZNQANSFLPPRI-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001023424137 657846857 /nfs/dbraw/zinc/84/68/57/657846857.db2.gz PNZNQANSFLPPRI-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001023424137 657846867 /nfs/dbraw/zinc/84/68/67/657846867.db2.gz PNZNQANSFLPPRI-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001023424137 657846879 /nfs/dbraw/zinc/84/68/79/657846879.db2.gz PNZNQANSFLPPRI-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972673402 658223592 /nfs/dbraw/zinc/22/35/92/658223592.db2.gz HMZKLUXJEWBZPP-QGZVFWFLSA-N 2 1 307.438 0.962 20 30 DCEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972673402 658223600 /nfs/dbraw/zinc/22/36/00/658223600.db2.gz HMZKLUXJEWBZPP-QGZVFWFLSA-N 2 1 307.438 0.962 20 30 DCEDMP C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389410 658703990 /nfs/dbraw/zinc/70/39/90/658703990.db2.gz MQVMJZSSMXVKQX-INMHGKMJSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413477 658737477 /nfs/dbraw/zinc/73/74/77/658737477.db2.gz KRAVCTOVXNWURJ-FUHWJXTLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413477 658737481 /nfs/dbraw/zinc/73/74/81/658737481.db2.gz KRAVCTOVXNWURJ-FUHWJXTLSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccon3)C2)CC1 ZINC001021089712 658750659 /nfs/dbraw/zinc/75/06/59/658750659.db2.gz JPZMKGUKGIPOEC-WKILWMFISA-N 2 1 316.405 0.757 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972431611 658760018 /nfs/dbraw/zinc/76/00/18/658760018.db2.gz SLZNMEDXJGOHID-WBVHZDCISA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999355856 665631096 /nfs/dbraw/zinc/63/10/96/665631096.db2.gz YCIRTDUNKSTNBB-GJZGRUSLSA-N 2 1 305.426 0.580 20 30 DCEDMP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]12 ZINC001026378173 659259438 /nfs/dbraw/zinc/25/94/38/659259438.db2.gz UMERZQJUFXWDPO-BZUAXINKSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999759076 665683723 /nfs/dbraw/zinc/68/37/23/665683723.db2.gz AFXWHUFGNZMQAX-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#C)CC1(C)C ZINC000940807465 665851028 /nfs/dbraw/zinc/85/10/28/665851028.db2.gz PTNBNCLFNPTZHG-JKSUJKDBSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)CC1 ZINC000985799862 662514839 /nfs/dbraw/zinc/51/48/39/662514839.db2.gz OKWYFGFOFURCGI-KRWDZBQOSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000905570860 663565182 /nfs/dbraw/zinc/56/51/82/663565182.db2.gz LTOUDVAQHQJEGK-HNNXBMFYSA-N 2 1 308.495 0.890 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000905570860 663565183 /nfs/dbraw/zinc/56/51/83/663565183.db2.gz LTOUDVAQHQJEGK-HNNXBMFYSA-N 2 1 308.495 0.890 20 30 DCEDMP CC(C)[C@@H](C(=O)NCC#CC[NH+](C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000913517485 664336695 /nfs/dbraw/zinc/33/66/95/664336695.db2.gz CFGIOXKIDVPUDV-OAGGEKHMSA-N 2 1 309.454 0.801 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001672024139 1157435768 /nfs/dbraw/zinc/43/57/68/1157435768.db2.gz GEZHLRXHMINEPW-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001672024139 1157435769 /nfs/dbraw/zinc/43/57/69/1157435769.db2.gz GEZHLRXHMINEPW-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000916841754 665096769 /nfs/dbraw/zinc/09/67/69/665096769.db2.gz HXXZYADPAJTDBQ-HOTGVXAUSA-N 2 1 320.437 0.246 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC#C)[C@H]2C)CC1 ZINC000994493639 665116399 /nfs/dbraw/zinc/11/63/99/665116399.db2.gz FBBMESHJLVZQCW-DOTOQJQBSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@H](CC)OC)C2)CC1 ZINC001031435135 665149821 /nfs/dbraw/zinc/14/98/21/665149821.db2.gz QPVRBHRKGFIIBI-INIZCTEOSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031740483 665396024 /nfs/dbraw/zinc/39/60/24/665396024.db2.gz DACSLDBBUJXUSB-WBVHZDCISA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031740483 665396026 /nfs/dbraw/zinc/39/60/26/665396026.db2.gz DACSLDBBUJXUSB-WBVHZDCISA-N 2 1 319.449 0.559 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941436904 665998259 /nfs/dbraw/zinc/99/82/59/665998259.db2.gz KXOBSRXMAIVWFS-KRWDZBQOSA-N 2 1 320.481 0.731 20 30 DCEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941552632 666019332 /nfs/dbraw/zinc/01/93/32/666019332.db2.gz JWKOVBGIQLWMKB-QGZVFWFLSA-N 2 1 322.497 0.977 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567509 666020508 /nfs/dbraw/zinc/02/05/08/666020508.db2.gz VJXOAUJTIPTIFC-OAHLLOKOSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567509 666020511 /nfs/dbraw/zinc/02/05/11/666020511.db2.gz VJXOAUJTIPTIFC-OAHLLOKOSA-N 2 1 306.454 0.343 20 30 DCEDMP C=CCC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000941668937 666041293 /nfs/dbraw/zinc/04/12/93/666041293.db2.gz SYJUALIAKDEWLJ-UHFFFAOYSA-N 2 1 317.437 0.596 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001533115 666068652 /nfs/dbraw/zinc/06/86/52/666068652.db2.gz OHXNYSUOYCNTDK-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001533115 666068655 /nfs/dbraw/zinc/06/86/55/666068655.db2.gz OHXNYSUOYCNTDK-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001002138799 666137781 /nfs/dbraw/zinc/13/77/81/666137781.db2.gz OELFWENDQGXOLV-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002138799 666137783 /nfs/dbraw/zinc/13/77/83/666137783.db2.gz OELFWENDQGXOLV-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279726 666659616 /nfs/dbraw/zinc/65/96/16/666659616.db2.gz WQXFGNRXODWLTP-DGNOSDGRSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279726 666659617 /nfs/dbraw/zinc/65/96/17/666659617.db2.gz WQXFGNRXODWLTP-DGNOSDGRSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279726 666659618 /nfs/dbraw/zinc/65/96/18/666659618.db2.gz WQXFGNRXODWLTP-DGNOSDGRSA-N 2 1 305.422 0.568 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC001033682084 666793317 /nfs/dbraw/zinc/79/33/17/666793317.db2.gz ACDJLHJIXRAXGK-INIZCTEOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001033685953 666795338 /nfs/dbraw/zinc/79/53/38/666795338.db2.gz XXUBZKNRDUCBIZ-QGZVFWFLSA-N 2 1 301.434 0.888 20 30 DCEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034534195 667061355 /nfs/dbraw/zinc/06/13/55/667061355.db2.gz JIIFMMMVOUPQFE-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034534195 667061357 /nfs/dbraw/zinc/06/13/57/667061357.db2.gz JIIFMMMVOUPQFE-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034534195 667061358 /nfs/dbraw/zinc/06/13/58/667061358.db2.gz JIIFMMMVOUPQFE-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034534195 667061359 /nfs/dbraw/zinc/06/13/59/667061359.db2.gz JIIFMMMVOUPQFE-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@H](C)O)C2)CC1 ZINC001034537989 667063773 /nfs/dbraw/zinc/06/37/73/667063773.db2.gz GWLBSTHZEOFZTP-DOTOQJQBSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC#C)C2)CC1 ZINC001034538309 667064279 /nfs/dbraw/zinc/06/42/79/667064279.db2.gz LNNIYTNCNUUXKK-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862961521 667101709 /nfs/dbraw/zinc/10/17/09/667101709.db2.gz YRSZEDFVHAWISW-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862961521 667101711 /nfs/dbraw/zinc/10/17/11/667101711.db2.gz YRSZEDFVHAWISW-INIZCTEOSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032409044 667183230 /nfs/dbraw/zinc/18/32/30/667183230.db2.gz VNUIMPROOKESPI-KBPBESRZSA-N 2 1 303.410 0.529 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032409044 667183231 /nfs/dbraw/zinc/18/32/31/667183231.db2.gz VNUIMPROOKESPI-KBPBESRZSA-N 2 1 303.410 0.529 20 30 DCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997270839 667229319 /nfs/dbraw/zinc/22/93/19/667229319.db2.gz AAASSDPNWCWBEO-NVXWUHKLSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997270839 667229322 /nfs/dbraw/zinc/22/93/22/667229322.db2.gz AAASSDPNWCWBEO-NVXWUHKLSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035724468 667404192 /nfs/dbraw/zinc/40/41/92/667404192.db2.gz HZUKBQHRKSWHQN-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035724468 667404193 /nfs/dbraw/zinc/40/41/93/667404193.db2.gz HZUKBQHRKSWHQN-INIZCTEOSA-N 2 1 319.449 0.391 20 30 DCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[NH+]1CCSCC1)C2 ZINC000884192217 667493961 /nfs/dbraw/zinc/49/39/61/667493961.db2.gz ZLXDBYWNTZLFKZ-OWYJLGKBSA-N 2 1 308.451 0.291 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000923554856 667560692 /nfs/dbraw/zinc/56/06/92/667560692.db2.gz LXCCWZNJPZGKOF-QGZVFWFLSA-N 2 1 320.481 0.616 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000923554856 667560696 /nfs/dbraw/zinc/56/06/96/667560696.db2.gz LXCCWZNJPZGKOF-QGZVFWFLSA-N 2 1 320.481 0.616 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000876709546 668492296 /nfs/dbraw/zinc/49/22/96/668492296.db2.gz USIXBWPSIMFTPG-OLZOCXBDSA-N 2 1 301.818 0.780 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876783570 668510632 /nfs/dbraw/zinc/51/06/32/668510632.db2.gz HFZXCHVYBOOQDI-KBPBESRZSA-N 2 1 314.861 0.695 20 30 DCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000876880201 668526937 /nfs/dbraw/zinc/52/69/37/668526937.db2.gz GIPWHWWHZUSFEB-CYBMUJFWSA-N 2 1 302.850 0.552 20 30 DCEDMP C[C@H](C#N)OCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000801931846 670146353 /nfs/dbraw/zinc/14/63/53/670146353.db2.gz BONITOOKRFVQLZ-OAHLLOKOSA-N 2 1 322.453 0.791 20 30 DCEDMP C[C@@H](C#N)OCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000801931845 670146427 /nfs/dbraw/zinc/14/64/27/670146427.db2.gz BONITOOKRFVQLZ-HNNXBMFYSA-N 2 1 322.453 0.791 20 30 DCEDMP CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526502 670362640 /nfs/dbraw/zinc/36/26/40/670362640.db2.gz XMGYTQWLZPDIOM-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526502 670362643 /nfs/dbraw/zinc/36/26/43/670362643.db2.gz XMGYTQWLZPDIOM-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526502 670362646 /nfs/dbraw/zinc/36/26/46/670362646.db2.gz XMGYTQWLZPDIOM-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949526502 670362648 /nfs/dbraw/zinc/36/26/48/670362648.db2.gz XMGYTQWLZPDIOM-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849025508 670751811 /nfs/dbraw/zinc/75/18/11/670751811.db2.gz KADUSHQPYIRNFB-GJZGRUSLSA-N 2 1 310.442 0.804 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC(C[NH+]3CCOCC3)C2)CC1 ZINC000816713092 670848258 /nfs/dbraw/zinc/84/82/58/670848258.db2.gz APHZXQWDCWTWIY-UHFFFAOYSA-N 2 1 305.422 0.122 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N1CCOCC1 ZINC000303772285 685206488 /nfs/dbraw/zinc/20/64/88/685206488.db2.gz DLSFWKLWPZOASH-AWEZNQCLSA-N 2 1 311.474 0.486 20 30 DCEDMP CN(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccco1 ZINC000303777878 685207456 /nfs/dbraw/zinc/20/74/56/685207456.db2.gz JCXLUYDSRVOWMY-CQSZACIVSA-N 2 1 323.441 0.509 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303881348 685207901 /nfs/dbraw/zinc/20/79/01/685207901.db2.gz KVCLVIOTZNQSDE-CVEARBPZSA-N 3 1 324.517 0.259 20 30 DCEDMP CCC[N@H+]1CC[C@@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303886290 685208227 /nfs/dbraw/zinc/20/82/27/685208227.db2.gz NPYNUOVWSDSNCU-HNNXBMFYSA-N 2 1 311.474 0.216 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](O)C1 ZINC000958118005 687359303 /nfs/dbraw/zinc/35/93/03/687359303.db2.gz YAFJZWYHZMURFE-ZIAGYGMSSA-N 2 1 321.446 0.465 20 30 DCEDMP C=CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214494 687446530 /nfs/dbraw/zinc/44/65/30/687446530.db2.gz IIIZJNGQDYTMHY-CABCVRRESA-N 2 1 307.438 0.600 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958262110 687490759 /nfs/dbraw/zinc/49/07/59/687490759.db2.gz GXRXYDWLICCGCE-GDBMZVCRSA-N 2 1 314.389 0.933 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266665 687495276 /nfs/dbraw/zinc/49/52/76/687495276.db2.gz BBNDSHCQQAAUCC-HIFRSBDPSA-N 2 1 300.362 0.543 20 30 DCEDMP C=CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958343500 687562051 /nfs/dbraw/zinc/56/20/51/687562051.db2.gz AQMZNKQHBSNYBW-CABCVRRESA-N 2 1 321.421 0.940 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717103 687871572 /nfs/dbraw/zinc/87/15/72/687871572.db2.gz PFBHXVWDNCGBAN-IRXDYDNUSA-N 2 1 315.417 0.404 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000963830079 689101865 /nfs/dbraw/zinc/10/18/65/689101865.db2.gz IDALVDRTPYWYMR-YVXVDGILSA-N 2 1 317.433 0.500 20 30 DCEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796648 690392964 /nfs/dbraw/zinc/39/29/64/690392964.db2.gz MAAWLJFSZZZLOZ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796648 690392967 /nfs/dbraw/zinc/39/29/67/690392967.db2.gz MAAWLJFSZZZLOZ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968796648 690392970 /nfs/dbraw/zinc/39/29/70/690392970.db2.gz MAAWLJFSZZZLOZ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968796648 690392973 /nfs/dbraw/zinc/39/29/73/690392973.db2.gz MAAWLJFSZZZLOZ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000968952958 690433463 /nfs/dbraw/zinc/43/34/63/690433463.db2.gz WVHGDJRPZDUESP-SJORKVTESA-N 2 1 312.417 0.870 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000968952958 690433465 /nfs/dbraw/zinc/43/34/65/690433465.db2.gz WVHGDJRPZDUESP-SJORKVTESA-N 2 1 312.417 0.870 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000968954626 690434009 /nfs/dbraw/zinc/43/40/09/690434009.db2.gz NWEZOUCZDPZJQB-ZACQAIPSSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000968954626 690434012 /nfs/dbraw/zinc/43/40/12/690434012.db2.gz NWEZOUCZDPZJQB-ZACQAIPSSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007992414 690784952 /nfs/dbraw/zinc/78/49/52/690784952.db2.gz WRYIOCRIGQETME-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007992414 690784954 /nfs/dbraw/zinc/78/49/54/690784954.db2.gz WRYIOCRIGQETME-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007992414 690784956 /nfs/dbraw/zinc/78/49/56/690784956.db2.gz WRYIOCRIGQETME-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007992414 690784957 /nfs/dbraw/zinc/78/49/57/690784957.db2.gz WRYIOCRIGQETME-GARNVTTQSA-N 2 1 317.433 0.454 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826237 692457489 /nfs/dbraw/zinc/45/74/89/692457489.db2.gz COKZGKIBMWMRSJ-HNNXBMFYSA-N 2 1 305.426 0.825 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001016335598 692655666 /nfs/dbraw/zinc/65/56/66/692655666.db2.gz FEDPZPYGXBJKPW-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016553054 692718139 /nfs/dbraw/zinc/71/81/39/692718139.db2.gz PFIHSFLIFVCSHU-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553054 692718142 /nfs/dbraw/zinc/71/81/42/692718142.db2.gz PFIHSFLIFVCSHU-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040746083 694602588 /nfs/dbraw/zinc/60/25/88/694602588.db2.gz VPIYDNYKFVUKAI-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040746083 694602590 /nfs/dbraw/zinc/60/25/90/694602590.db2.gz VPIYDNYKFVUKAI-HZPDHXFCSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073443115 694727749 /nfs/dbraw/zinc/72/77/49/694727749.db2.gz BKERCUUWLHVMAU-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073443115 694727751 /nfs/dbraw/zinc/72/77/51/694727751.db2.gz BKERCUUWLHVMAU-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443115 694727752 /nfs/dbraw/zinc/72/77/52/694727752.db2.gz BKERCUUWLHVMAU-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073443115 694727754 /nfs/dbraw/zinc/72/77/54/694727754.db2.gz BKERCUUWLHVMAU-OAHLLOKOSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCOC)C3)CC1 ZINC001073456124 694729006 /nfs/dbraw/zinc/72/90/06/694729006.db2.gz WYBDPBCJMOOKFT-UHFFFAOYSA-N 2 1 319.449 0.512 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC=C)CCCO1 ZINC001073639486 694757743 /nfs/dbraw/zinc/75/77/43/694757743.db2.gz HEZZMZMLCJJJNM-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC=C)CCCO1 ZINC001073639486 694757744 /nfs/dbraw/zinc/75/77/44/694757744.db2.gz HEZZMZMLCJJJNM-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC=C)CCCO1 ZINC001073639486 694757746 /nfs/dbraw/zinc/75/77/46/694757746.db2.gz HEZZMZMLCJJJNM-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC=C)CCCO1 ZINC001073639486 694757747 /nfs/dbraw/zinc/75/77/47/694757747.db2.gz HEZZMZMLCJJJNM-SJORKVTESA-N 2 1 319.449 0.867 20 30 DCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001672024139 1157435767 /nfs/dbraw/zinc/43/57/67/1157435767.db2.gz GEZHLRXHMINEPW-RDJZCZTQSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001752843270 1158318065 /nfs/dbraw/zinc/31/80/65/1158318065.db2.gz AFSQMDCLQQPYQC-ARKGTOAJSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001752843270 1158318070 /nfs/dbraw/zinc/31/80/70/1158318070.db2.gz AFSQMDCLQQPYQC-ARKGTOAJSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001752843270 1158318074 /nfs/dbraw/zinc/31/80/74/1158318074.db2.gz AFSQMDCLQQPYQC-ARKGTOAJSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001752843270 1158318082 /nfs/dbraw/zinc/31/80/82/1158318082.db2.gz AFSQMDCLQQPYQC-ARKGTOAJSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001752843270 1158318087 /nfs/dbraw/zinc/31/80/87/1158318087.db2.gz AFSQMDCLQQPYQC-ARKGTOAJSA-N 2 1 307.438 0.718 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082033 1158436224 /nfs/dbraw/zinc/43/62/24/1158436224.db2.gz JTOYXKVDOASROA-KGLIPLIRSA-N 2 1 310.442 0.256 20 30 DCEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001691655086 1158668771 /nfs/dbraw/zinc/66/87/71/1158668771.db2.gz KEZBWCGPMWXYBP-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001691655086 1158668775 /nfs/dbraw/zinc/66/87/75/1158668775.db2.gz KEZBWCGPMWXYBP-HOCLYGCPSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001566612649 1160093800 /nfs/dbraw/zinc/09/38/00/1160093800.db2.gz BZEWATCLDHWSHA-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001566793397 1160154897 /nfs/dbraw/zinc/15/48/97/1160154897.db2.gz QLXQCFKTYXIPLC-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H](OC)C1CCC1 ZINC001567286357 1160295561 /nfs/dbraw/zinc/29/55/61/1160295561.db2.gz GFEUYDDXNQOQLM-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H](OC)C1CCC1 ZINC001567286357 1160295564 /nfs/dbraw/zinc/29/55/64/1160295564.db2.gz GFEUYDDXNQOQLM-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H](OC)C1CCC1 ZINC001567286357 1160295567 /nfs/dbraw/zinc/29/55/67/1160295567.db2.gz GFEUYDDXNQOQLM-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H](OC)C1CCC1 ZINC001567286357 1160295571 /nfs/dbraw/zinc/29/55/71/1160295571.db2.gz GFEUYDDXNQOQLM-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567402695 1160349680 /nfs/dbraw/zinc/34/96/80/1160349680.db2.gz GRSLUTMNRUEOJN-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567402695 1160349688 /nfs/dbraw/zinc/34/96/88/1160349688.db2.gz GRSLUTMNRUEOJN-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567402695 1160349695 /nfs/dbraw/zinc/34/96/95/1160349695.db2.gz GRSLUTMNRUEOJN-IRXDYDNUSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCOC)CC1 ZINC001568106476 1160578196 /nfs/dbraw/zinc/57/81/96/1160578196.db2.gz YEJJGEKEDAFNBH-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCOC)CC1 ZINC001568106476 1160578202 /nfs/dbraw/zinc/57/82/02/1160578202.db2.gz YEJJGEKEDAFNBH-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001568369728 1160636965 /nfs/dbraw/zinc/63/69/65/1160636965.db2.gz VLIUOBKVVACTBI-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568580436 1160692937 /nfs/dbraw/zinc/69/29/37/1160692937.db2.gz AYSBBKHBMLZTTR-ZACQAIPSSA-N 2 1 317.433 0.585 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnn(C)c1 ZINC001568641989 1160719826 /nfs/dbraw/zinc/71/98/26/1160719826.db2.gz DNVBIVNCLCLXFB-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnn(C)c1 ZINC001568641989 1160719830 /nfs/dbraw/zinc/71/98/30/1160719830.db2.gz DNVBIVNCLCLXFB-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001569081347 1160937724 /nfs/dbraw/zinc/93/77/24/1160937724.db2.gz IUHGHSAYSLHQNO-UONOGXRCSA-N 2 1 324.469 0.197 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[N@H+](C)CC)C2)CC1 ZINC001569579616 1161155145 /nfs/dbraw/zinc/15/51/45/1161155145.db2.gz NERXZLJKIMFNIP-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569893388 1161300929 /nfs/dbraw/zinc/30/09/29/1161300929.db2.gz FHTRQRBUSGSNFH-FUHWJXTLSA-N 2 1 319.449 0.295 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569893388 1161300935 /nfs/dbraw/zinc/30/09/35/1161300935.db2.gz FHTRQRBUSGSNFH-FUHWJXTLSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001574672707 1163739270 /nfs/dbraw/zinc/73/92/70/1163739270.db2.gz DFODOMOJGGQAAK-HNNXBMFYSA-N 2 1 320.437 0.248 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC3(CC2)C[NH2+]CCO3)C1 ZINC001574672707 1163739274 /nfs/dbraw/zinc/73/92/74/1163739274.db2.gz DFODOMOJGGQAAK-HNNXBMFYSA-N 2 1 320.437 0.248 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001649450391 1173136756 /nfs/dbraw/zinc/13/67/56/1173136756.db2.gz NSUANLIHASAFPO-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001649450390 1173137054 /nfs/dbraw/zinc/13/70/54/1173137054.db2.gz NSUANLIHASAFPO-HUUCEWRRSA-N 2 1 322.453 0.045 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001649457779 1173140576 /nfs/dbraw/zinc/14/05/76/1173140576.db2.gz KSHYRPYLPQQAJV-HNNXBMFYSA-N 2 1 318.421 0.847 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)CC[N@H+](C)CC)CC1 ZINC001660904144 1174065500 /nfs/dbraw/zinc/06/55/00/1174065500.db2.gz DAHHWVVOXFDRJE-UHFFFAOYSA-N 2 1 308.470 0.475 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001662564928 1174217836 /nfs/dbraw/zinc/21/78/36/1174217836.db2.gz WPJHJFKOVRXVAJ-KBPBESRZSA-N 2 1 310.442 0.209 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001662792111 1174241500 /nfs/dbraw/zinc/24/15/00/1174241500.db2.gz VIDJHLUQTYUMMN-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663498431 1174309266 /nfs/dbraw/zinc/30/92/66/1174309266.db2.gz SFZYNQSFAUHZMY-SJORKVTESA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001664898476 1174469904 /nfs/dbraw/zinc/46/99/04/1174469904.db2.gz ORQGWDPYBXPONO-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001664898476 1174469908 /nfs/dbraw/zinc/46/99/08/1174469908.db2.gz ORQGWDPYBXPONO-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001664898476 1174469910 /nfs/dbraw/zinc/46/99/10/1174469910.db2.gz ORQGWDPYBXPONO-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001664898476 1174469913 /nfs/dbraw/zinc/46/99/13/1174469913.db2.gz ORQGWDPYBXPONO-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001666389082 1174601360 /nfs/dbraw/zinc/60/13/60/1174601360.db2.gz APEXGXLLZXQMKM-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001666389082 1174601362 /nfs/dbraw/zinc/60/13/62/1174601362.db2.gz APEXGXLLZXQMKM-MRXNPFEDSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccnn1C ZINC001666563759 1174610670 /nfs/dbraw/zinc/61/06/70/1174610670.db2.gz VGRFCDNZYSIOAG-HOCLYGCPSA-N 2 1 317.437 0.360 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccnn1C ZINC001666563759 1174610675 /nfs/dbraw/zinc/61/06/75/1174610675.db2.gz VGRFCDNZYSIOAG-HOCLYGCPSA-N 2 1 317.437 0.360 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001666747909 1174634303 /nfs/dbraw/zinc/63/43/03/1174634303.db2.gz TUCLZAVOZWEVGR-AWEZNQCLSA-N 2 1 322.453 0.401 20 30 DCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001669070665 1174885516 /nfs/dbraw/zinc/88/55/16/1174885516.db2.gz ZFAFPWYILXSLDM-SNAWJCMRSA-N 2 1 318.421 0.918 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001672766516 1175152020 /nfs/dbraw/zinc/15/20/20/1175152020.db2.gz HIKKMKSBICRYKY-ZIAGYGMSSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001672766516 1175152023 /nfs/dbraw/zinc/15/20/23/1175152023.db2.gz HIKKMKSBICRYKY-ZIAGYGMSSA-N 2 1 315.845 0.898 20 30 DCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC#CC[NH+](C)C)C1 ZINC001675861696 1175397135 /nfs/dbraw/zinc/39/71/35/1175397135.db2.gz AARLEFKJUTWFDA-HNNXBMFYSA-N 2 1 310.442 0.207 20 30 DCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001676183102 1175426837 /nfs/dbraw/zinc/42/68/37/1175426837.db2.gz GJEXTBSKQZAACN-JKSUJKDBSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001676614295 1175468052 /nfs/dbraw/zinc/46/80/52/1175468052.db2.gz BBPLKQXMSJLUHS-HOTGVXAUSA-N 2 1 303.406 0.379 20 30 DCEDMP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001689137562 1176704304 /nfs/dbraw/zinc/70/43/04/1176704304.db2.gz VJCUPRGEBXMTRF-ZDUSSCGKSA-N 2 1 319.409 0.558 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCCNC(=O)Cn1cc[nH+]c1C ZINC001689969942 1177132130 /nfs/dbraw/zinc/13/21/30/1177132130.db2.gz ZCNDBMIQDRDOBR-UHFFFAOYSA-N 2 1 306.410 0.670 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)Cn1cc[nH+]c1C ZINC001689969942 1177132134 /nfs/dbraw/zinc/13/21/34/1177132134.db2.gz ZCNDBMIQDRDOBR-UHFFFAOYSA-N 2 1 306.410 0.670 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCCOC)C1 ZINC001690278726 1177204339 /nfs/dbraw/zinc/20/43/39/1177204339.db2.gz KPQJVGTXMXDUPY-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCCOC)C1 ZINC001690278726 1177204344 /nfs/dbraw/zinc/20/43/44/1177204344.db2.gz KPQJVGTXMXDUPY-JYJNAYRXSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cc(C)on2)CC1 ZINC001690651039 1177294615 /nfs/dbraw/zinc/29/46/15/1177294615.db2.gz WVNKKPFZOFBFFR-ZDUSSCGKSA-N 2 1 318.421 0.923 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691947561 1177388841 /nfs/dbraw/zinc/38/88/41/1177388841.db2.gz FJQBBIZEXXHSPW-ARFHVFGLSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001692115850 1177419283 /nfs/dbraw/zinc/41/92/83/1177419283.db2.gz SEXALYDTCMBNBJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001692115850 1177419287 /nfs/dbraw/zinc/41/92/87/1177419287.db2.gz SEXALYDTCMBNBJ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001692238770 1177456429 /nfs/dbraw/zinc/45/64/29/1177456429.db2.gz YAVKLYQORMDDFF-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001692241244 1177457162 /nfs/dbraw/zinc/45/71/62/1177457162.db2.gz HELMWTISWFXHHU-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001692241244 1177457172 /nfs/dbraw/zinc/45/71/72/1177457172.db2.gz HELMWTISWFXHHU-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001692241244 1177457178 /nfs/dbraw/zinc/45/71/78/1177457178.db2.gz HELMWTISWFXHHU-SJORKVTESA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001698672113 1177605225 /nfs/dbraw/zinc/60/52/25/1177605225.db2.gz ISSSHJQZXYJMAJ-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001698672113 1177605228 /nfs/dbraw/zinc/60/52/28/1177605228.db2.gz ISSSHJQZXYJMAJ-IRXDYDNUSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001699738045 1178271426 /nfs/dbraw/zinc/27/14/26/1178271426.db2.gz JRYHHMDHBVDHLS-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001699995143 1178414189 /nfs/dbraw/zinc/41/41/89/1178414189.db2.gz KPGXWWZHXQGCEQ-KRWDZBQOSA-N 2 1 320.481 0.664 20 30 DCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCO1 ZINC001700161367 1178508261 /nfs/dbraw/zinc/50/82/61/1178508261.db2.gz CAFPPTBJIANMBG-HNNXBMFYSA-N 2 1 304.394 0.422 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001700319727 1178579716 /nfs/dbraw/zinc/57/97/16/1178579716.db2.gz DTWIIEIKSHVFAH-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001700319727 1178579720 /nfs/dbraw/zinc/57/97/20/1178579720.db2.gz DTWIIEIKSHVFAH-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001700319727 1178579725 /nfs/dbraw/zinc/57/97/25/1178579725.db2.gz DTWIIEIKSHVFAH-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001700507969 1178642325 /nfs/dbraw/zinc/64/23/25/1178642325.db2.gz MQLYLRKSGIICMI-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001700590089 1178669908 /nfs/dbraw/zinc/66/99/08/1178669908.db2.gz QWPUIZJRBYUUBS-PHZGNYQRSA-N 2 1 318.421 0.688 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001700590089 1178669912 /nfs/dbraw/zinc/66/99/12/1178669912.db2.gz QWPUIZJRBYUUBS-PHZGNYQRSA-N 2 1 318.421 0.688 20 30 DCEDMP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001700788783 1178744409 /nfs/dbraw/zinc/74/44/09/1178744409.db2.gz APGYBXFVFSPDFI-LSDHHAIUSA-N 2 1 307.438 0.341 20 30 DCEDMP COCC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001713056656 1180653672 /nfs/dbraw/zinc/65/36/72/1180653672.db2.gz KDPICZGNGIBLBQ-UHFFFAOYSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001713456150 1180834036 /nfs/dbraw/zinc/83/40/36/1180834036.db2.gz FEQPQNLVUDCOJN-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001713456150 1180834048 /nfs/dbraw/zinc/83/40/48/1180834048.db2.gz FEQPQNLVUDCOJN-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001713456150 1180834060 /nfs/dbraw/zinc/83/40/60/1180834060.db2.gz FEQPQNLVUDCOJN-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001713456150 1180834072 /nfs/dbraw/zinc/83/40/72/1180834072.db2.gz FEQPQNLVUDCOJN-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001713457568 1180837159 /nfs/dbraw/zinc/83/71/59/1180837159.db2.gz FTWHSJXWYFORSR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001713457568 1180837172 /nfs/dbraw/zinc/83/71/72/1180837172.db2.gz FTWHSJXWYFORSR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001713457568 1180837188 /nfs/dbraw/zinc/83/71/88/1180837188.db2.gz FTWHSJXWYFORSR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001713457568 1180837202 /nfs/dbraw/zinc/83/72/02/1180837202.db2.gz FTWHSJXWYFORSR-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001713542210 1180913194 /nfs/dbraw/zinc/91/31/94/1180913194.db2.gz SAFFDSXDGXTQCP-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714142330 1181261693 /nfs/dbraw/zinc/26/16/93/1181261693.db2.gz RVYRZZGWFJMRDB-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001714291057 1181308446 /nfs/dbraw/zinc/30/84/46/1181308446.db2.gz KUJCSPWHNHEYAC-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001714291057 1181308453 /nfs/dbraw/zinc/30/84/53/1181308453.db2.gz KUJCSPWHNHEYAC-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001714974678 1181623020 /nfs/dbraw/zinc/62/30/20/1181623020.db2.gz VTBKMPNUJWJBDG-UHFFFAOYSA-N 2 1 309.454 0.662 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714974678 1181623023 /nfs/dbraw/zinc/62/30/23/1181623023.db2.gz VTBKMPNUJWJBDG-UHFFFAOYSA-N 2 1 309.454 0.662 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001715347503 1181781414 /nfs/dbraw/zinc/78/14/14/1181781414.db2.gz JCWAJMNFRBLSDQ-GXTWGEPZSA-N 2 1 321.425 0.319 20 30 DCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001715528646 1181843632 /nfs/dbraw/zinc/84/36/32/1181843632.db2.gz DPGLMJJZUBYSMA-HOTGVXAUSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715528646 1181843639 /nfs/dbraw/zinc/84/36/39/1181843639.db2.gz DPGLMJJZUBYSMA-HOTGVXAUSA-N 2 1 309.454 0.757 20 30 DCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001715528646 1181843644 /nfs/dbraw/zinc/84/36/44/1181843644.db2.gz DPGLMJJZUBYSMA-HOTGVXAUSA-N 2 1 309.454 0.757 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001715598068 1181886475 /nfs/dbraw/zinc/88/64/75/1181886475.db2.gz JAPNHEUWQDPVEO-SJORKVTESA-N 2 1 321.465 0.874 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001716400126 1182375409 /nfs/dbraw/zinc/37/54/09/1182375409.db2.gz WTNFFHYXLRKHAZ-UKRRQHHQSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001716495939 1182413477 /nfs/dbraw/zinc/41/34/77/1182413477.db2.gz LFCKXQJQPXLQMC-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001716495939 1182413480 /nfs/dbraw/zinc/41/34/80/1182413480.db2.gz LFCKXQJQPXLQMC-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716495939 1182413483 /nfs/dbraw/zinc/41/34/83/1182413483.db2.gz LFCKXQJQPXLQMC-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001716495939 1182413486 /nfs/dbraw/zinc/41/34/86/1182413486.db2.gz LFCKXQJQPXLQMC-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716542438 1182433126 /nfs/dbraw/zinc/43/31/26/1182433126.db2.gz FFVPKXVOQPUOMU-RBSFLKMASA-N 2 1 324.469 0.455 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001716770715 1182519476 /nfs/dbraw/zinc/51/94/76/1182519476.db2.gz MIGRXQHYXKROOI-GOEBONIOSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001716874576 1182555504 /nfs/dbraw/zinc/55/55/04/1182555504.db2.gz MGJXRXMGSPDRPV-FUHWJXTLSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001716926110 1182580743 /nfs/dbraw/zinc/58/07/43/1182580743.db2.gz LEAHIAUGEVITOI-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001716926110 1182580750 /nfs/dbraw/zinc/58/07/50/1182580750.db2.gz LEAHIAUGEVITOI-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001716926110 1182580754 /nfs/dbraw/zinc/58/07/54/1182580754.db2.gz LEAHIAUGEVITOI-FUHWJXTLSA-N 2 1 321.465 0.826 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001716936296 1182591301 /nfs/dbraw/zinc/59/13/01/1182591301.db2.gz JJLLWSWHPYTTTF-HNNXBMFYSA-N 2 1 307.438 0.457 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001716944355 1182597828 /nfs/dbraw/zinc/59/78/28/1182597828.db2.gz YELYLCCMYZOWPN-LSDHHAIUSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001716944355 1182597831 /nfs/dbraw/zinc/59/78/31/1182597831.db2.gz YELYLCCMYZOWPN-LSDHHAIUSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001716975336 1182608055 /nfs/dbraw/zinc/60/80/55/1182608055.db2.gz LQYJDAIABVSJCY-HUUCEWRRSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CCC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001717268154 1182758465 /nfs/dbraw/zinc/75/84/65/1182758465.db2.gz OXYIOVXMGKYNHF-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001717394093 1182818658 /nfs/dbraw/zinc/81/86/58/1182818658.db2.gz XQEPAZNVWMLPEU-WLYUNCDWSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001724172253 1184393429 /nfs/dbraw/zinc/39/34/29/1184393429.db2.gz BAYIKGSMPZHXEX-CJNGLKHVSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001724172253 1184393437 /nfs/dbraw/zinc/39/34/37/1184393437.db2.gz BAYIKGSMPZHXEX-CJNGLKHVSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724480352 1184452768 /nfs/dbraw/zinc/45/27/68/1184452768.db2.gz VAPNUVXFFZQKFY-UHFFFAOYSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001724678454 1184514979 /nfs/dbraw/zinc/51/49/79/1184514979.db2.gz FLCRNAUHUNIHIF-OAHLLOKOSA-N 2 1 320.437 0.741 20 30 DCEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001724757677 1184543761 /nfs/dbraw/zinc/54/37/61/1184543761.db2.gz RHPJUDMXYNCFRP-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001725247385 1184734547 /nfs/dbraw/zinc/73/45/47/1184734547.db2.gz INNOUSPUJFEJKO-IIAWOOMASA-N 2 1 307.438 0.413 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001725247385 1184734551 /nfs/dbraw/zinc/73/45/51/1184734551.db2.gz INNOUSPUJFEJKO-IIAWOOMASA-N 2 1 307.438 0.413 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001725298045 1184758583 /nfs/dbraw/zinc/75/85/83/1184758583.db2.gz MKOLGJGNTKRNEA-OAHLLOKOSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001725298045 1184758587 /nfs/dbraw/zinc/75/85/87/1184758587.db2.gz MKOLGJGNTKRNEA-OAHLLOKOSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001725298045 1184758594 /nfs/dbraw/zinc/75/85/94/1184758594.db2.gz MKOLGJGNTKRNEA-OAHLLOKOSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001725298045 1184758601 /nfs/dbraw/zinc/75/86/01/1184758601.db2.gz MKOLGJGNTKRNEA-OAHLLOKOSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001725529063 1184860925 /nfs/dbraw/zinc/86/09/25/1184860925.db2.gz BGJVXCVIICPXCJ-HOTGVXAUSA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001731596937 1185406124 /nfs/dbraw/zinc/40/61/24/1185406124.db2.gz AJGNMBCBGTYLTA-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001731596937 1185406132 /nfs/dbraw/zinc/40/61/32/1185406132.db2.gz AJGNMBCBGTYLTA-CABCVRRESA-N 2 1 322.453 0.045 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC001731796300 1185492906 /nfs/dbraw/zinc/49/29/06/1185492906.db2.gz ZTGYUNOUPJKQME-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001732398885 1185798807 /nfs/dbraw/zinc/79/88/07/1185798807.db2.gz LPHHTMIZVFNTGO-CQSZACIVSA-N 2 1 322.453 0.259 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001733014122 1186104096 /nfs/dbraw/zinc/10/40/96/1186104096.db2.gz YNWPMEZNBNJZNE-LSDHHAIUSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ncccn2)CC1 ZINC001733028463 1186109769 /nfs/dbraw/zinc/10/97/69/1186109769.db2.gz ZDHSNQDZQSJNIJ-AWEZNQCLSA-N 2 1 315.421 0.416 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001733146296 1186163169 /nfs/dbraw/zinc/16/31/69/1186163169.db2.gz HLYGUDYMWXCBOG-GASCZTMLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001733482492 1186290055 /nfs/dbraw/zinc/29/00/55/1186290055.db2.gz JDZWCMXCFTXUNY-UXLLHSPISA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001733482492 1186290059 /nfs/dbraw/zinc/29/00/59/1186290059.db2.gz JDZWCMXCFTXUNY-UXLLHSPISA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001733482492 1186290065 /nfs/dbraw/zinc/29/00/65/1186290065.db2.gz JDZWCMXCFTXUNY-UXLLHSPISA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001733602591 1186356428 /nfs/dbraw/zinc/35/64/28/1186356428.db2.gz ZFHDRIGPLVQBSD-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001733679144 1186397680 /nfs/dbraw/zinc/39/76/80/1186397680.db2.gz WSVPPCLBYFUUIP-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001733679144 1186397687 /nfs/dbraw/zinc/39/76/87/1186397687.db2.gz WSVPPCLBYFUUIP-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001733775709 1186442380 /nfs/dbraw/zinc/44/23/80/1186442380.db2.gz CQKFTHAPNKJRQW-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001733860365 1186478882 /nfs/dbraw/zinc/47/88/82/1186478882.db2.gz VTJOLKJZTCSOGH-KBPBESRZSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001734162158 1186565372 /nfs/dbraw/zinc/56/53/72/1186565372.db2.gz ATPVGFYLWCBDBQ-PHZGNYQRSA-N 2 1 319.449 0.272 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001734523884 1186676426 /nfs/dbraw/zinc/67/64/26/1186676426.db2.gz ZOSNVMSECMSXPP-CVEARBPZSA-N 2 1 309.454 0.539 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734541428 1186684347 /nfs/dbraw/zinc/68/43/47/1186684347.db2.gz NKOHGYQQPBMHGI-OAHLLOKOSA-N 2 1 309.454 0.635 20 30 DCEDMP C=C(C)C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC ZINC001734581359 1186695267 /nfs/dbraw/zinc/69/52/67/1186695267.db2.gz MOJXMSMGTUNLIS-INIZCTEOSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001752382102 1188419962 /nfs/dbraw/zinc/41/99/62/1188419962.db2.gz QXIDUFDQOKJSSM-QGZVFWFLSA-N 2 1 320.481 0.474 20 30 DCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001753297967 1188559705 /nfs/dbraw/zinc/55/97/05/1188559705.db2.gz VVNZRMGVPQZXLE-IRXDYDNUSA-N 2 1 315.417 0.787 20 30 DCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001753297967 1188559707 /nfs/dbraw/zinc/55/97/07/1188559707.db2.gz VVNZRMGVPQZXLE-IRXDYDNUSA-N 2 1 315.417 0.787 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438664 1188597190 /nfs/dbraw/zinc/59/71/90/1188597190.db2.gz DVFKKLLMWDHDDT-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438664 1188597194 /nfs/dbraw/zinc/59/71/94/1188597194.db2.gz DVFKKLLMWDHDDT-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001753566750 1188618221 /nfs/dbraw/zinc/61/82/21/1188618221.db2.gz TZVSDVINBGWCTG-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001753566750 1188618223 /nfs/dbraw/zinc/61/82/23/1188618223.db2.gz TZVSDVINBGWCTG-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC#CCOC ZINC001754415709 1188850073 /nfs/dbraw/zinc/85/00/73/1188850073.db2.gz AUYRHTZTOWMHFV-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001754456674 1188856648 /nfs/dbraw/zinc/85/66/48/1188856648.db2.gz RDISNYAGUNHGDQ-OAHLLOKOSA-N 2 1 304.394 0.326 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001754460479 1188857190 /nfs/dbraw/zinc/85/71/90/1188857190.db2.gz UBZAWYBDKNHOBU-HNNXBMFYSA-N 2 1 304.394 0.326 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001754712625 1188910034 /nfs/dbraw/zinc/91/00/34/1188910034.db2.gz NEWMXFSPEDMHBZ-KRWDZBQOSA-N 2 1 318.421 0.670 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001754770063 1188930978 /nfs/dbraw/zinc/93/09/78/1188930978.db2.gz WGQZZZKMMCSVCI-GJZGRUSLSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001754770063 1188930982 /nfs/dbraw/zinc/93/09/82/1188930982.db2.gz WGQZZZKMMCSVCI-GJZGRUSLSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCCCCC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754778106 1188934780 /nfs/dbraw/zinc/93/47/80/1188934780.db2.gz NJPUDPPCQBVXJM-UHFFFAOYSA-N 2 1 321.465 0.992 20 30 DCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001754859393 1188952876 /nfs/dbraw/zinc/95/28/76/1188952876.db2.gz WIICWNCYMDURKQ-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001754859393 1188952877 /nfs/dbraw/zinc/95/28/77/1188952877.db2.gz WIICWNCYMDURKQ-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#CCOC)CC1 ZINC001755031125 1189001416 /nfs/dbraw/zinc/00/14/16/1189001416.db2.gz NHBAKRJKLHTXLL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#CCOC)CC1 ZINC001755031125 1189001421 /nfs/dbraw/zinc/00/14/21/1189001421.db2.gz NHBAKRJKLHTXLL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC001755031125 1189001425 /nfs/dbraw/zinc/00/14/25/1189001425.db2.gz NHBAKRJKLHTXLL-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001755045282 1189004383 /nfs/dbraw/zinc/00/43/83/1189004383.db2.gz PJAAWTSPRWKWPD-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755045282 1189004389 /nfs/dbraw/zinc/00/43/89/1189004389.db2.gz PJAAWTSPRWKWPD-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755045282 1189004391 /nfs/dbraw/zinc/00/43/91/1189004391.db2.gz PJAAWTSPRWKWPD-HUUCEWRRSA-N 2 1 324.469 0.409 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001755746445 1189200015 /nfs/dbraw/zinc/20/00/15/1189200015.db2.gz NFWDPNIJSYECLN-IRXDYDNUSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416844 751381510 /nfs/dbraw/zinc/38/15/10/751381510.db2.gz RBZMMWYOTFOCLS-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416844 751381516 /nfs/dbraw/zinc/38/15/16/751381516.db2.gz RBZMMWYOTFOCLS-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416844 751381523 /nfs/dbraw/zinc/38/15/23/751381523.db2.gz RBZMMWYOTFOCLS-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416844 751381531 /nfs/dbraw/zinc/38/15/31/751381531.db2.gz RBZMMWYOTFOCLS-BZUAXINKSA-N 2 1 321.465 0.946 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106906032 751513853 /nfs/dbraw/zinc/51/38/53/751513853.db2.gz SEXSQMOEVXVAJQ-HUUCEWRRSA-N 2 1 324.469 0.315 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@@H]3C2)CC1 ZINC001042367456 751603625 /nfs/dbraw/zinc/60/36/25/751603625.db2.gz HSFFPDTWCJJJLX-NVXWUHKLSA-N 2 1 319.449 0.247 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098561028 747336830 /nfs/dbraw/zinc/33/68/30/747336830.db2.gz NLKSSWIOJUKHRM-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561028 747336835 /nfs/dbraw/zinc/33/68/35/747336835.db2.gz NLKSSWIOJUKHRM-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561028 747336837 /nfs/dbraw/zinc/33/68/37/747336837.db2.gz NLKSSWIOJUKHRM-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167626552 747436453 /nfs/dbraw/zinc/43/64/53/747436453.db2.gz DCLUGJTXURICJP-MRXNPFEDSA-N 2 1 309.454 0.995 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086557039 761900274 /nfs/dbraw/zinc/90/02/74/761900274.db2.gz VKWMMBOLBFLJGJ-IHRRRGAJSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086557039 761900275 /nfs/dbraw/zinc/90/02/75/761900275.db2.gz VKWMMBOLBFLJGJ-IHRRRGAJSA-N 2 1 315.845 0.944 20 30 DCEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098723128 749281224 /nfs/dbraw/zinc/28/12/24/749281224.db2.gz UPRBQPQCMKPOLB-AWEZNQCLSA-N 2 1 306.414 0.279 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168136593 749472156 /nfs/dbraw/zinc/47/21/56/749472156.db2.gz HLFOMTABJYMPDZ-CQSZACIVSA-N 2 1 322.453 0.116 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912661 750723679 /nfs/dbraw/zinc/72/36/79/750723679.db2.gz KRACCGBZZIGSKT-HIFRSBDPSA-N 2 1 303.410 0.271 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912661 750723682 /nfs/dbraw/zinc/72/36/82/750723682.db2.gz KRACCGBZZIGSKT-HIFRSBDPSA-N 2 1 303.410 0.271 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455553 751153279 /nfs/dbraw/zinc/15/32/79/751153279.db2.gz ZULYZTLQGWCUSS-HCBPCCMXSA-N 2 1 317.433 0.167 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350657 751273393 /nfs/dbraw/zinc/27/33/93/751273393.db2.gz IHOJOZVOLFHYGJ-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350657 751273397 /nfs/dbraw/zinc/27/33/97/751273397.db2.gz IHOJOZVOLFHYGJ-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089350657 751273402 /nfs/dbraw/zinc/27/34/02/751273402.db2.gz IHOJOZVOLFHYGJ-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089350657 751273405 /nfs/dbraw/zinc/27/34/05/751273405.db2.gz IHOJOZVOLFHYGJ-HOTGVXAUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045685945 753294318 /nfs/dbraw/zinc/29/43/18/753294318.db2.gz LDNMPGAKXYYMLM-JKSUJKDBSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001046035120 753437930 /nfs/dbraw/zinc/43/79/30/753437930.db2.gz FCPVMHXFHZPKTO-KRWDZBQOSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035120 753437935 /nfs/dbraw/zinc/43/79/35/753437935.db2.gz FCPVMHXFHZPKTO-KRWDZBQOSA-N 2 1 318.465 0.322 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035120 753437937 /nfs/dbraw/zinc/43/79/37/753437937.db2.gz FCPVMHXFHZPKTO-KRWDZBQOSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046040444 753442829 /nfs/dbraw/zinc/44/28/29/753442829.db2.gz ITUPHKKLMJBADC-DLBZAZTESA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064485 753459021 /nfs/dbraw/zinc/45/90/21/753459021.db2.gz OHQUCMKJEBXJAM-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046064485 753459027 /nfs/dbraw/zinc/45/90/27/753459027.db2.gz OHQUCMKJEBXJAM-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046064485 753459033 /nfs/dbraw/zinc/45/90/33/753459033.db2.gz OHQUCMKJEBXJAM-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424453 754269691 /nfs/dbraw/zinc/26/96/91/754269691.db2.gz LQAIPZROSAIMRU-HOTGVXAUSA-N 2 1 319.449 0.389 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090261125 754825390 /nfs/dbraw/zinc/82/53/90/754825390.db2.gz MPBUKKMRKBBYTK-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCO)C2)CC1 ZINC001072095602 762352173 /nfs/dbraw/zinc/35/21/73/762352173.db2.gz LGPHEGWCHZHLCU-WBVHZDCISA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC001049108092 755120848 /nfs/dbraw/zinc/12/08/48/755120848.db2.gz FFQXELJQIHMSNJ-IYBDPMFKSA-N 2 1 315.421 0.082 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049547450 755310378 /nfs/dbraw/zinc/31/03/78/755310378.db2.gz DXOBRRAWUDGMAM-KLHDSHLOSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049547450 755310380 /nfs/dbraw/zinc/31/03/80/755310380.db2.gz DXOBRRAWUDGMAM-KLHDSHLOSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547450 755310381 /nfs/dbraw/zinc/31/03/81/755310381.db2.gz DXOBRRAWUDGMAM-KLHDSHLOSA-N 2 1 307.438 0.957 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049547450 755310383 /nfs/dbraw/zinc/31/03/83/755310383.db2.gz DXOBRRAWUDGMAM-KLHDSHLOSA-N 2 1 307.438 0.957 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049904591 755441640 /nfs/dbraw/zinc/44/16/40/755441640.db2.gz QHLRELORVTWVNS-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049904591 755441643 /nfs/dbraw/zinc/44/16/43/755441643.db2.gz QHLRELORVTWVNS-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904591 755441646 /nfs/dbraw/zinc/44/16/46/755441646.db2.gz QHLRELORVTWVNS-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904591 755441650 /nfs/dbraw/zinc/44/16/50/755441650.db2.gz QHLRELORVTWVNS-GVDBMIGSSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097563579 755680325 /nfs/dbraw/zinc/68/03/25/755680325.db2.gz ACQADXUFEWAZNQ-PQIGMKOUSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097563579 755680328 /nfs/dbraw/zinc/68/03/28/755680328.db2.gz ACQADXUFEWAZNQ-PQIGMKOUSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001097563579 755680329 /nfs/dbraw/zinc/68/03/29/755680329.db2.gz ACQADXUFEWAZNQ-PQIGMKOUSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001097563579 755680331 /nfs/dbraw/zinc/68/03/31/755680331.db2.gz ACQADXUFEWAZNQ-PQIGMKOUSA-N 2 1 315.417 0.204 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054107615 756368443 /nfs/dbraw/zinc/36/84/43/756368443.db2.gz FAKAUTVQTDHPLJ-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054107615 756368447 /nfs/dbraw/zinc/36/84/47/756368447.db2.gz FAKAUTVQTDHPLJ-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054107615 756368450 /nfs/dbraw/zinc/36/84/50/756368450.db2.gz FAKAUTVQTDHPLJ-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054107615 756368452 /nfs/dbraw/zinc/36/84/52/756368452.db2.gz FAKAUTVQTDHPLJ-SJLPKXTDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001054107616 756368729 /nfs/dbraw/zinc/36/87/29/756368729.db2.gz FAKAUTVQTDHPLJ-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001054107616 756368734 /nfs/dbraw/zinc/36/87/34/756368734.db2.gz FAKAUTVQTDHPLJ-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054107616 756368737 /nfs/dbraw/zinc/36/87/37/756368737.db2.gz FAKAUTVQTDHPLJ-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054107616 756368741 /nfs/dbraw/zinc/36/87/41/756368741.db2.gz FAKAUTVQTDHPLJ-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081673104 756752206 /nfs/dbraw/zinc/75/22/06/756752206.db2.gz XQBUZAOPBQGOIE-ARFHVFGLSA-N 2 1 305.422 0.167 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081673104 756752210 /nfs/dbraw/zinc/75/22/10/756752210.db2.gz XQBUZAOPBQGOIE-ARFHVFGLSA-N 2 1 305.422 0.167 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001090383007 757277096 /nfs/dbraw/zinc/27/70/96/757277096.db2.gz WBQUMEBGAYDQMS-HOTGVXAUSA-N 2 1 312.373 0.441 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001090383007 757277101 /nfs/dbraw/zinc/27/71/01/757277101.db2.gz WBQUMEBGAYDQMS-HOTGVXAUSA-N 2 1 312.373 0.441 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001050206943 757488117 /nfs/dbraw/zinc/48/81/17/757488117.db2.gz SLGACIXIOACRGM-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001050206943 757488121 /nfs/dbraw/zinc/48/81/21/757488121.db2.gz SLGACIXIOACRGM-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206943 757488126 /nfs/dbraw/zinc/48/81/26/757488126.db2.gz SLGACIXIOACRGM-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206943 757488130 /nfs/dbraw/zinc/48/81/30/757488130.db2.gz SLGACIXIOACRGM-XHSDSOJGSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090398758 757907988 /nfs/dbraw/zinc/90/79/88/757907988.db2.gz IFYQVWHILMQAIW-HUUCEWRRSA-N 2 1 300.362 0.685 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911440 758120763 /nfs/dbraw/zinc/12/07/63/758120763.db2.gz CIMSWDRLDCMFRJ-PMPSAXMXSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090400750 758242743 /nfs/dbraw/zinc/24/27/43/758242743.db2.gz YCDOPGRLLBOOKW-HZPDHXFCSA-N 2 1 312.373 0.523 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051660254 758842822 /nfs/dbraw/zinc/84/28/22/758842822.db2.gz PRZNCPCUAIZSTD-CVEARBPZSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051660254 758842831 /nfs/dbraw/zinc/84/28/31/758842831.db2.gz PRZNCPCUAIZSTD-CVEARBPZSA-N 2 1 305.422 0.311 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081465 759165586 /nfs/dbraw/zinc/16/55/86/759165586.db2.gz BRTIZYUGZPFZFM-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081465 759165590 /nfs/dbraw/zinc/16/55/90/759165590.db2.gz BRTIZYUGZPFZFM-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117679 759190714 /nfs/dbraw/zinc/19/07/14/759190714.db2.gz XBIXISGCYIDQDB-IRXDYDNUSA-N 2 1 318.465 0.180 20 30 DCEDMP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117588 759191065 /nfs/dbraw/zinc/19/10/65/759191065.db2.gz UQHLRAYNTXYEOC-IAGOWNOFSA-N 2 1 320.481 0.733 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731771 759244773 /nfs/dbraw/zinc/24/47/73/759244773.db2.gz KFLHJRXJCUOJRR-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731771 759244781 /nfs/dbraw/zinc/24/47/81/759244781.db2.gz KFLHJRXJCUOJRR-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731771 759244784 /nfs/dbraw/zinc/24/47/84/759244784.db2.gz KFLHJRXJCUOJRR-LPMVOBIJSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@@H](C)O)CC1 ZINC001085987023 759547092 /nfs/dbraw/zinc/54/70/92/759547092.db2.gz RPUOSKSXTVIYEI-GDBMZVCRSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086106627 759720033 /nfs/dbraw/zinc/72/00/33/759720033.db2.gz SBUPAVHWXYKVFC-UXLLHSPISA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070400527 761213068 /nfs/dbraw/zinc/21/30/68/761213068.db2.gz ZZECDKVDFHPQQN-ZFWWWQNUSA-N 2 1 315.421 0.543 20 30 DCEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400527 761213074 /nfs/dbraw/zinc/21/30/74/761213074.db2.gz ZZECDKVDFHPQQN-ZFWWWQNUSA-N 2 1 315.421 0.543 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400527 761213081 /nfs/dbraw/zinc/21/30/81/761213081.db2.gz ZZECDKVDFHPQQN-ZFWWWQNUSA-N 2 1 315.421 0.543 20 30 DCEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148612212 768018585 /nfs/dbraw/zinc/01/85/85/768018585.db2.gz WRNYKURREGMEIS-UHFFFAOYSA-N 2 1 319.449 0.819 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001070946937 761525024 /nfs/dbraw/zinc/52/50/24/761525024.db2.gz CKECUWFSVFNZSY-HNNXBMFYSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070946937 761525028 /nfs/dbraw/zinc/52/50/28/761525028.db2.gz CKECUWFSVFNZSY-HNNXBMFYSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001070946937 761525030 /nfs/dbraw/zinc/52/50/30/761525030.db2.gz CKECUWFSVFNZSY-HNNXBMFYSA-N 2 1 322.453 0.307 20 30 DCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001070946937 761525034 /nfs/dbraw/zinc/52/50/34/761525034.db2.gz CKECUWFSVFNZSY-HNNXBMFYSA-N 2 1 322.453 0.307 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100140710 761685390 /nfs/dbraw/zinc/68/53/90/761685390.db2.gz AJBUQNTUGHRQSB-IRXDYDNUSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241368 761732580 /nfs/dbraw/zinc/73/25/80/761732580.db2.gz SVWKGUMJCNKWHZ-WMZOPIPTSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241366 761732597 /nfs/dbraw/zinc/73/25/97/761732597.db2.gz SVWKGUMJCNKWHZ-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129410173 762931431 /nfs/dbraw/zinc/93/14/31/762931431.db2.gz FHUXZOBTCITQPF-CQSZACIVSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cncc(F)c1 ZINC001129762101 763001180 /nfs/dbraw/zinc/00/11/80/763001180.db2.gz HKNNCKKFZHPAPX-HNNXBMFYSA-N 2 1 304.369 0.524 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cncc(F)c1 ZINC001129762101 763001188 /nfs/dbraw/zinc/00/11/88/763001188.db2.gz HKNNCKKFZHPAPX-HNNXBMFYSA-N 2 1 304.369 0.524 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCCCO1 ZINC001129771111 763009021 /nfs/dbraw/zinc/00/90/21/763009021.db2.gz REETYUAYJYSOBE-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCCCO1 ZINC001129771111 763009027 /nfs/dbraw/zinc/00/90/27/763009027.db2.gz REETYUAYJYSOBE-HOTGVXAUSA-N 2 1 307.438 0.749 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001129771034 763009424 /nfs/dbraw/zinc/00/94/24/763009424.db2.gz OFJJDPASGFAKMH-STQMWFEESA-N 2 1 315.364 0.214 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001129771034 763009431 /nfs/dbraw/zinc/00/94/31/763009431.db2.gz OFJJDPASGFAKMH-STQMWFEESA-N 2 1 315.364 0.214 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130192076 763170563 /nfs/dbraw/zinc/17/05/63/763170563.db2.gz GCUOIFGXMMAOPB-ZIAGYGMSSA-N 2 1 308.426 0.011 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041595 763247748 /nfs/dbraw/zinc/24/77/48/763247748.db2.gz LKMCDCYKBLVCBC-HUUCEWRRSA-N 2 1 313.442 0.082 20 30 DCEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CC)C1 ZINC001130439856 763319049 /nfs/dbraw/zinc/31/90/49/763319049.db2.gz WUPOEACXOUJNLW-AWEZNQCLSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130439856 763319058 /nfs/dbraw/zinc/31/90/58/763319058.db2.gz WUPOEACXOUJNLW-AWEZNQCLSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130439856 763319065 /nfs/dbraw/zinc/31/90/65/763319065.db2.gz WUPOEACXOUJNLW-AWEZNQCLSA-N 2 1 317.437 0.790 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131694117 763955228 /nfs/dbraw/zinc/95/52/28/763955228.db2.gz UOKFGHOMHZOQBW-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131694117 763955230 /nfs/dbraw/zinc/95/52/30/763955230.db2.gz UOKFGHOMHZOQBW-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131694117 763955231 /nfs/dbraw/zinc/95/52/31/763955231.db2.gz UOKFGHOMHZOQBW-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725171 768377220 /nfs/dbraw/zinc/37/72/20/768377220.db2.gz ZTPSZQQOXLKZOW-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725171 768377229 /nfs/dbraw/zinc/37/72/29/768377229.db2.gz ZTPSZQQOXLKZOW-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725171 768377237 /nfs/dbraw/zinc/37/72/37/768377237.db2.gz ZTPSZQQOXLKZOW-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725171 768377244 /nfs/dbraw/zinc/37/72/44/768377244.db2.gz ZTPSZQQOXLKZOW-KLHDSHLOSA-N 2 1 309.454 0.966 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001098479188 764492127 /nfs/dbraw/zinc/49/21/27/764492127.db2.gz WJCXFEBDNZIAEL-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098479188 764492137 /nfs/dbraw/zinc/49/21/37/764492137.db2.gz WJCXFEBDNZIAEL-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098479188 764492147 /nfs/dbraw/zinc/49/21/47/764492147.db2.gz WJCXFEBDNZIAEL-MRXNPFEDSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045275 764506417 /nfs/dbraw/zinc/50/64/17/764506417.db2.gz ZMKVBNIKNPSSQQ-OAGGEKHMSA-N 2 1 317.437 0.131 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045275 764506424 /nfs/dbraw/zinc/50/64/24/764506424.db2.gz ZMKVBNIKNPSSQQ-OAGGEKHMSA-N 2 1 317.437 0.131 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783128 764814746 /nfs/dbraw/zinc/81/47/46/764814746.db2.gz WJFVERXUVKESDC-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102783128 764814753 /nfs/dbraw/zinc/81/47/53/764814753.db2.gz WJFVERXUVKESDC-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102783128 764814759 /nfs/dbraw/zinc/81/47/59/764814759.db2.gz WJFVERXUVKESDC-BRWVUGGUSA-N 2 1 321.465 0.805 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276645 768255085 /nfs/dbraw/zinc/25/50/85/768255085.db2.gz XWBMOPRDEBIDAK-NUJGCVRESA-N 2 1 321.465 0.921 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092292649 768265962 /nfs/dbraw/zinc/26/59/62/768265962.db2.gz SZJVURMNDAUDRJ-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092292649 768265967 /nfs/dbraw/zinc/26/59/67/768265967.db2.gz SZJVURMNDAUDRJ-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092292649 768265971 /nfs/dbraw/zinc/26/59/71/768265971.db2.gz SZJVURMNDAUDRJ-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092292649 768265973 /nfs/dbraw/zinc/26/59/73/768265973.db2.gz SZJVURMNDAUDRJ-INMHGKMJSA-N 2 1 307.438 0.673 20 30 DCEDMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC#Cc1ccccc1 ZINC001135350201 765900314 /nfs/dbraw/zinc/90/03/14/765900314.db2.gz QFBVOZVWGRTCAB-UHFFFAOYSA-N 2 1 315.417 0.466 20 30 DCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086763124 766093585 /nfs/dbraw/zinc/09/35/85/766093585.db2.gz SVHJURONOOJJQJ-CFFMVQJASA-N 2 1 319.449 0.910 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)C[C@@H]2O)CC1 ZINC001090831948 766648811 /nfs/dbraw/zinc/64/88/11/766648811.db2.gz XNEVZTIKSPOTCD-IRXDYDNUSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146332860 767425332 /nfs/dbraw/zinc/42/53/32/767425332.db2.gz KNBBDHRSYLZDAT-ZIAGYGMSSA-N 2 1 306.410 0.714 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)[C@H](C)C1 ZINC001092688853 768377758 /nfs/dbraw/zinc/37/77/58/768377758.db2.gz CWYHGQNYNNKYCY-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)[C@H](C)C1 ZINC001092688853 768377765 /nfs/dbraw/zinc/37/77/65/768377765.db2.gz CWYHGQNYNNKYCY-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)[C@H](C)C1 ZINC001092688853 768377772 /nfs/dbraw/zinc/37/77/72/768377772.db2.gz CWYHGQNYNNKYCY-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)[C@H](C)C1 ZINC001092688853 768377782 /nfs/dbraw/zinc/37/77/82/768377782.db2.gz CWYHGQNYNNKYCY-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149936867 768911603 /nfs/dbraw/zinc/91/16/03/768911603.db2.gz PACOBBOXSCCPTA-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936867 768911612 /nfs/dbraw/zinc/91/16/12/768911612.db2.gz PACOBBOXSCCPTA-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936867 768911620 /nfs/dbraw/zinc/91/16/20/768911620.db2.gz PACOBBOXSCCPTA-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCCN1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338148 768997681 /nfs/dbraw/zinc/99/76/81/768997681.db2.gz ANNZOCLYQVRJDE-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001094338148 768997686 /nfs/dbraw/zinc/99/76/86/768997686.db2.gz ANNZOCLYQVRJDE-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338148 768997691 /nfs/dbraw/zinc/99/76/91/768997691.db2.gz ANNZOCLYQVRJDE-CYBMUJFWSA-N 2 1 318.425 0.279 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150299211 769061743 /nfs/dbraw/zinc/06/17/43/769061743.db2.gz MFRRTZREQYYAKD-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150299211 769061751 /nfs/dbraw/zinc/06/17/51/769061751.db2.gz MFRRTZREQYYAKD-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccn(CC)n2)CC1 ZINC001152330460 769529852 /nfs/dbraw/zinc/52/98/52/769529852.db2.gz NQRDJJWIUPXPRX-UHFFFAOYSA-N 2 1 317.437 0.454 20 30 DCEDMP C#CCOc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1OC ZINC001234983407 769731833 /nfs/dbraw/zinc/73/18/33/769731833.db2.gz VHZIMSRVHKPIQS-SFHVURJKSA-N 2 1 315.417 0.845 20 30 DCEDMP CSc1nc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)ccc1C#N ZINC001234987645 769735372 /nfs/dbraw/zinc/73/53/72/769735372.db2.gz IHSFBRQYUGXXKK-HNNXBMFYSA-N 2 1 303.435 0.812 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153314879 769780503 /nfs/dbraw/zinc/78/05/03/769780503.db2.gz RBKWZKQTOOYESN-UHFFFAOYSA-N 2 1 318.421 0.126 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153314879 769780512 /nfs/dbraw/zinc/78/05/12/769780512.db2.gz RBKWZKQTOOYESN-UHFFFAOYSA-N 2 1 318.421 0.126 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156403577 770806001 /nfs/dbraw/zinc/80/60/01/770806001.db2.gz IXAQYNUVPMZQSH-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156403577 770806007 /nfs/dbraw/zinc/80/60/07/770806007.db2.gz IXAQYNUVPMZQSH-CQSZACIVSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226835 771078436 /nfs/dbraw/zinc/07/84/36/771078436.db2.gz OPXVNBVTDKSNJN-ILXRZTDVSA-N 2 1 324.469 0.596 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884634 771363733 /nfs/dbraw/zinc/36/37/33/771363733.db2.gz IBLXWOADAJXIFK-YFHUEUNASA-N 2 1 321.465 0.803 20 30 DCEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884634 771363740 /nfs/dbraw/zinc/36/37/40/771363740.db2.gz IBLXWOADAJXIFK-YFHUEUNASA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249266 771628585 /nfs/dbraw/zinc/62/85/85/771628585.db2.gz FTXBWTVUQJUMHA-HUUCEWRRSA-N 2 1 303.410 0.027 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157886777 771687355 /nfs/dbraw/zinc/68/73/55/771687355.db2.gz MOJWQOYLFOWPEN-AWEZNQCLSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1conc1C ZINC001160198106 772006567 /nfs/dbraw/zinc/00/65/67/772006567.db2.gz SHMVREORAPPTTP-HNNXBMFYSA-N 2 1 304.394 0.677 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1conc1C ZINC001160198106 772006572 /nfs/dbraw/zinc/00/65/72/772006572.db2.gz SHMVREORAPPTTP-HNNXBMFYSA-N 2 1 304.394 0.677 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnn(C)c1 ZINC001160198108 772007279 /nfs/dbraw/zinc/00/72/79/772007279.db2.gz SISFSJIFOCOXBU-HNNXBMFYSA-N 2 1 303.410 0.114 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnn(C)c1 ZINC001160198108 772007283 /nfs/dbraw/zinc/00/72/83/772007283.db2.gz SISFSJIFOCOXBU-HNNXBMFYSA-N 2 1 303.410 0.114 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nccs1 ZINC001160198194 772008234 /nfs/dbraw/zinc/00/82/34/772008234.db2.gz WLBULTAIDPQIFJ-ZDUSSCGKSA-N 2 1 306.435 0.837 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nccs1 ZINC001160198194 772008241 /nfs/dbraw/zinc/00/82/41/772008241.db2.gz WLBULTAIDPQIFJ-ZDUSSCGKSA-N 2 1 306.435 0.837 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cncs1 ZINC001160209316 772009257 /nfs/dbraw/zinc/00/92/57/772009257.db2.gz HPUQBLGFXINPGY-AWEZNQCLSA-N 2 1 306.435 0.837 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cncs1 ZINC001160209316 772009264 /nfs/dbraw/zinc/00/92/64/772009264.db2.gz HPUQBLGFXINPGY-AWEZNQCLSA-N 2 1 306.435 0.837 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCOCC1 ZINC001160209358 772009481 /nfs/dbraw/zinc/00/94/81/772009481.db2.gz JHSKAFBQLAVOPH-KRWDZBQOSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCOCC1 ZINC001160209358 772009488 /nfs/dbraw/zinc/00/94/88/772009488.db2.gz JHSKAFBQLAVOPH-KRWDZBQOSA-N 2 1 321.465 0.997 20 30 DCEDMP N#Cc1cc2c(nc1N[C@@]1(C[NH3+])C[NH+]3CCC1CC3)CCOC2 ZINC001160518861 772057567 /nfs/dbraw/zinc/05/75/67/772057567.db2.gz IRLKUMJKLXFUCR-KRWDZBQOSA-N 2 1 313.405 0.861 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161232337 772187213 /nfs/dbraw/zinc/18/72/13/772187213.db2.gz DFAXYZWINRJGJT-ZDUSSCGKSA-N 2 1 312.458 0.503 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189025635 772412486 /nfs/dbraw/zinc/41/24/86/772412486.db2.gz CEEKTIHPVOOVDS-SOUVJXGZSA-N 2 1 322.453 0.162 20 30 DCEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162871961 772427200 /nfs/dbraw/zinc/42/72/00/772427200.db2.gz BVBICTRZBLHFTE-ISXOHVOVSA-N 2 1 307.438 0.912 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162871979 772427577 /nfs/dbraw/zinc/42/75/77/772427577.db2.gz CHXYEXFWSYDBRM-ISXOHVOVSA-N 2 1 323.437 0.148 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189652142 772514080 /nfs/dbraw/zinc/51/40/80/772514080.db2.gz AJAOTXWQYAETCU-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189652142 772514082 /nfs/dbraw/zinc/51/40/82/772514082.db2.gz AJAOTXWQYAETCU-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189652142 772514084 /nfs/dbraw/zinc/51/40/84/772514084.db2.gz AJAOTXWQYAETCU-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189652142 772514086 /nfs/dbraw/zinc/51/40/86/772514086.db2.gz AJAOTXWQYAETCU-LSDHHAIUSA-N 2 1 322.453 0.163 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871046 772548265 /nfs/dbraw/zinc/54/82/65/772548265.db2.gz JDHMBIKGBDKYDB-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001190948053 772696421 /nfs/dbraw/zinc/69/64/21/772696421.db2.gz TVFBHRNXFDULSI-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001191030223 772711303 /nfs/dbraw/zinc/71/13/03/772711303.db2.gz RYXUPVCSQIQPAW-OAHLLOKOSA-N 2 1 309.454 0.899 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001191030223 772711304 /nfs/dbraw/zinc/71/13/04/772711304.db2.gz RYXUPVCSQIQPAW-OAHLLOKOSA-N 2 1 309.454 0.899 20 30 DCEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001191030223 772711309 /nfs/dbraw/zinc/71/13/09/772711309.db2.gz RYXUPVCSQIQPAW-OAHLLOKOSA-N 2 1 309.454 0.899 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166815107 772863209 /nfs/dbraw/zinc/86/32/09/772863209.db2.gz ZDUMHTXPHHFLOV-INIZCTEOSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866692 772966615 /nfs/dbraw/zinc/96/66/15/772966615.db2.gz MRNQRUUZODPJIB-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866692 772966617 /nfs/dbraw/zinc/96/66/17/772966617.db2.gz MRNQRUUZODPJIB-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345776 772988414 /nfs/dbraw/zinc/98/84/14/772988414.db2.gz YAHLPDZSSYFVHY-SJORKVTESA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345593 772988445 /nfs/dbraw/zinc/98/84/45/772988445.db2.gz RYNICBLRCSFSRD-CVEARBPZSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001206030612 773040981 /nfs/dbraw/zinc/04/09/81/773040981.db2.gz DBZLTJSWMAYHBB-MRXNPFEDSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001206030612 773040983 /nfs/dbraw/zinc/04/09/83/773040983.db2.gz DBZLTJSWMAYHBB-MRXNPFEDSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193292124 773040945 /nfs/dbraw/zinc/04/09/45/773040945.db2.gz MMEZWZYQBUYMSC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193292124 773040947 /nfs/dbraw/zinc/04/09/47/773040947.db2.gz MMEZWZYQBUYMSC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292124 773040949 /nfs/dbraw/zinc/04/09/49/773040949.db2.gz MMEZWZYQBUYMSC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292124 773040951 /nfs/dbraw/zinc/04/09/51/773040951.db2.gz MMEZWZYQBUYMSC-CQSZACIVSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641597 773252978 /nfs/dbraw/zinc/25/29/78/773252978.db2.gz VNNQQNIYPLKEST-FMKPAKJESA-N 2 1 324.469 0.311 20 30 DCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641597 773252987 /nfs/dbraw/zinc/25/29/87/773252987.db2.gz VNNQQNIYPLKEST-FMKPAKJESA-N 2 1 324.469 0.311 20 30 DCEDMP C#CCCC[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209263030 773575930 /nfs/dbraw/zinc/57/59/30/773575930.db2.gz FWPOXGKAZUHHTF-UHFFFAOYSA-N 2 1 304.394 0.738 20 30 DCEDMP C#CCCC[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209263030 773575936 /nfs/dbraw/zinc/57/59/36/773575936.db2.gz FWPOXGKAZUHHTF-UHFFFAOYSA-N 2 1 304.394 0.738 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210495320 773715023 /nfs/dbraw/zinc/71/50/23/773715023.db2.gz ZANXNBJZPXAEOT-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCOCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198106311 773862002 /nfs/dbraw/zinc/86/20/02/773862002.db2.gz RLWRYOXIADJFSP-UHFFFAOYSA-N 2 1 306.410 0.928 20 30 DCEDMP C=CCOCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198106311 773862008 /nfs/dbraw/zinc/86/20/08/773862008.db2.gz RLWRYOXIADJFSP-UHFFFAOYSA-N 2 1 306.410 0.928 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729674 773968241 /nfs/dbraw/zinc/96/82/41/773968241.db2.gz WKVYJIFEHAWXBG-HZPDHXFCSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370155 774097731 /nfs/dbraw/zinc/09/77/31/774097731.db2.gz MNWBLTUSAACUDY-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP CC1(C)[NH2+][C@H](C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CO1 ZINC001218554595 774245789 /nfs/dbraw/zinc/24/57/89/774245789.db2.gz UJYBTDYEOCRUJC-JTQLQIEISA-N 2 1 306.391 0.928 20 30 DCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658451 774392667 /nfs/dbraw/zinc/39/26/67/774392667.db2.gz NEXVCNKMQLEQIA-HOTGVXAUSA-N 2 1 305.422 0.454 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CCCO1 ZINC001201924760 774571565 /nfs/dbraw/zinc/57/15/65/774571565.db2.gz UCYOEGODOQWRAT-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060218 774596343 /nfs/dbraw/zinc/59/63/43/774596343.db2.gz VLZMOBXXMKPFEW-UONOGXRCSA-N 2 1 315.845 0.898 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072447 774688205 /nfs/dbraw/zinc/68/82/05/774688205.db2.gz WNTHHGWECMWJHS-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072447 774688208 /nfs/dbraw/zinc/68/82/08/774688208.db2.gz WNTHHGWECMWJHS-CVEARBPZSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268693 774750853 /nfs/dbraw/zinc/75/08/53/774750853.db2.gz FLYLLBIHKSEDHR-BMFZPTHFSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114402572 774841894 /nfs/dbraw/zinc/84/18/94/774841894.db2.gz GEHXFHFNHVTFBR-XUWVNRHRSA-N 2 1 317.437 0.436 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114402572 774841902 /nfs/dbraw/zinc/84/19/02/774841902.db2.gz GEHXFHFNHVTFBR-XUWVNRHRSA-N 2 1 317.437 0.436 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC=C)C[C@H]21 ZINC001114420461 774854159 /nfs/dbraw/zinc/85/41/59/774854159.db2.gz HEACMZIFZYGHJN-VVLHAWIVSA-N 2 1 317.433 0.333 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC=C)C[C@H]21 ZINC001114420461 774854167 /nfs/dbraw/zinc/85/41/67/774854167.db2.gz HEACMZIFZYGHJN-VVLHAWIVSA-N 2 1 317.433 0.333 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCC=C)C[C@H]21 ZINC001114420461 774854177 /nfs/dbraw/zinc/85/41/77/774854177.db2.gz HEACMZIFZYGHJN-VVLHAWIVSA-N 2 1 317.433 0.333 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCC=C)C[C@H]21 ZINC001114420461 774854186 /nfs/dbraw/zinc/85/41/86/774854186.db2.gz HEACMZIFZYGHJN-VVLHAWIVSA-N 2 1 317.433 0.333 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114464097 774881793 /nfs/dbraw/zinc/88/17/93/774881793.db2.gz QLQWBWAQMYBULV-ZSHCYNCHSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221444993 775104996 /nfs/dbraw/zinc/10/49/96/775104996.db2.gz VTBUMRXADOIRQS-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444993 775105003 /nfs/dbraw/zinc/10/50/03/775105003.db2.gz VTBUMRXADOIRQS-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444993 775105014 /nfs/dbraw/zinc/10/50/14/775105014.db2.gz VTBUMRXADOIRQS-BZUAXINKSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095429425 775115567 /nfs/dbraw/zinc/11/55/67/775115567.db2.gz XDYGHGNFIANMCJ-KBMXLJTQSA-N 2 1 315.421 0.413 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095429425 775115572 /nfs/dbraw/zinc/11/55/72/775115572.db2.gz XDYGHGNFIANMCJ-KBMXLJTQSA-N 2 1 315.421 0.413 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130043 775540375 /nfs/dbraw/zinc/54/03/75/775540375.db2.gz LZFFQEHZIGMFLS-ZACQAIPSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130043 775540383 /nfs/dbraw/zinc/54/03/83/775540383.db2.gz LZFFQEHZIGMFLS-ZACQAIPSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130043 775540389 /nfs/dbraw/zinc/54/03/89/775540389.db2.gz LZFFQEHZIGMFLS-ZACQAIPSSA-N 2 1 319.449 0.511 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518813 775894493 /nfs/dbraw/zinc/89/44/93/775894493.db2.gz QRZBTABOUNTVAS-ZSHCYNCHSA-N 2 1 319.449 0.864 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001228985386 776144892 /nfs/dbraw/zinc/14/48/92/776144892.db2.gz ZKPVLKZLKNSVBM-UHFFFAOYSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167164 777104263 /nfs/dbraw/zinc/10/42/63/777104263.db2.gz KFJMOFLHVBVTPP-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167164 777104270 /nfs/dbraw/zinc/10/42/70/777104270.db2.gz KFJMOFLHVBVTPP-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167164 777104275 /nfs/dbraw/zinc/10/42/75/777104275.db2.gz KFJMOFLHVBVTPP-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167164 777104277 /nfs/dbraw/zinc/10/42/77/777104277.db2.gz KFJMOFLHVBVTPP-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270502 777821993 /nfs/dbraw/zinc/82/19/93/777821993.db2.gz OWGRMEABTAVHRB-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270502 777822001 /nfs/dbraw/zinc/82/20/01/777822001.db2.gz OWGRMEABTAVHRB-JKSUJKDBSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042291993 777840873 /nfs/dbraw/zinc/84/08/73/777840873.db2.gz JVOYOHYGNQNMQS-WBVHZDCISA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](OC)C1CCC1 ZINC001317597233 945099221 /nfs/dbraw/zinc/09/92/21/945099221.db2.gz TTZXBQZQRYVWLG-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](OC)C1CCC1 ZINC001317597233 945099226 /nfs/dbraw/zinc/09/92/26/945099226.db2.gz TTZXBQZQRYVWLG-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001278155865 945159095 /nfs/dbraw/zinc/15/90/95/945159095.db2.gz SUDHASOPSYMNHK-BBWFWOEESA-N 2 1 315.417 0.032 20 30 DCEDMP C#CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CC[NH+](CC)CC1 ZINC001278200253 945178493 /nfs/dbraw/zinc/17/84/93/945178493.db2.gz AWHVDPJJEJEVMH-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC[NH+](CC)CC1 ZINC001278200253 945178495 /nfs/dbraw/zinc/17/84/95/945178495.db2.gz AWHVDPJJEJEVMH-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317780265 945186293 /nfs/dbraw/zinc/18/62/93/945186293.db2.gz UGJUVTVXENFALX-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317780265 945186299 /nfs/dbraw/zinc/18/62/99/945186299.db2.gz UGJUVTVXENFALX-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317780265 945186302 /nfs/dbraw/zinc/18/63/02/945186302.db2.gz UGJUVTVXENFALX-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266413287 939110459 /nfs/dbraw/zinc/11/04/59/939110459.db2.gz LMPWLNNWUSOGEW-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266413287 939110464 /nfs/dbraw/zinc/11/04/64/939110464.db2.gz LMPWLNNWUSOGEW-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266513748 939146393 /nfs/dbraw/zinc/14/63/93/939146393.db2.gz GHPYZMGKOVXLKU-OWCLPIDISA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266513748 939146395 /nfs/dbraw/zinc/14/63/95/939146395.db2.gz GHPYZMGKOVXLKU-OWCLPIDISA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266513748 939146397 /nfs/dbraw/zinc/14/63/97/939146397.db2.gz GHPYZMGKOVXLKU-OWCLPIDISA-N 2 1 309.454 0.967 20 30 DCEDMP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC#CCOC)[NH+](C)C ZINC001266843685 939251261 /nfs/dbraw/zinc/25/12/61/939251261.db2.gz AAASLLWFSDMBNJ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC#CCOC)[NH+](C)C ZINC001266843685 939251264 /nfs/dbraw/zinc/25/12/64/939251264.db2.gz AAASLLWFSDMBNJ-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001267132671 939354807 /nfs/dbraw/zinc/35/48/07/939354807.db2.gz RBNRWTVENOVLHR-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001267132671 939354811 /nfs/dbraw/zinc/35/48/11/939354811.db2.gz RBNRWTVENOVLHR-CABCVRRESA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCO)C1 ZINC001267557797 939500202 /nfs/dbraw/zinc/50/02/02/939500202.db2.gz MSOVOFWGLIGDPG-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCCO)C1 ZINC001267557797 939500204 /nfs/dbraw/zinc/50/02/04/939500204.db2.gz MSOVOFWGLIGDPG-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCO)C1 ZINC001267557797 939500205 /nfs/dbraw/zinc/50/02/05/939500205.db2.gz MSOVOFWGLIGDPG-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCO)C1 ZINC001267557797 939500206 /nfs/dbraw/zinc/50/02/06/939500206.db2.gz MSOVOFWGLIGDPG-HOTGVXAUSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267596466 939538100 /nfs/dbraw/zinc/53/81/00/939538100.db2.gz ZYZDOMFLZRZEBS-INIZCTEOSA-N 2 1 319.449 0.560 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267771178 939673439 /nfs/dbraw/zinc/67/34/39/939673439.db2.gz AFKFLKFDVLQIGG-JKSUJKDBSA-N 2 1 309.454 0.755 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267771178 939673441 /nfs/dbraw/zinc/67/34/41/939673441.db2.gz AFKFLKFDVLQIGG-JKSUJKDBSA-N 2 1 309.454 0.755 20 30 DCEDMP COCC#CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001481357873 939759482 /nfs/dbraw/zinc/75/94/82/939759482.db2.gz HRDSGKYLCZRWIO-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001481357873 939759484 /nfs/dbraw/zinc/75/94/84/939759484.db2.gz HRDSGKYLCZRWIO-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001481357873 939759486 /nfs/dbraw/zinc/75/94/86/939759486.db2.gz HRDSGKYLCZRWIO-MRXNPFEDSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001481941318 940190327 /nfs/dbraw/zinc/19/03/27/940190327.db2.gz QWBUUKBXIPMRMG-QAPCUYQASA-N 2 1 321.465 0.853 20 30 DCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001268896598 940400845 /nfs/dbraw/zinc/40/08/45/940400845.db2.gz VBADTFHKFXIMAV-DLBZAZTESA-N 2 1 321.465 0.805 20 30 DCEDMP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246044281 945328583 /nfs/dbraw/zinc/32/85/83/945328583.db2.gz FYHOQLVRBKPXQO-IJEWVQPXSA-N 2 1 312.410 0.025 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001269199191 940645479 /nfs/dbraw/zinc/64/54/79/940645479.db2.gz IHUNBMURFKPUHR-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001269199191 940645486 /nfs/dbraw/zinc/64/54/86/940645486.db2.gz IHUNBMURFKPUHR-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001269199191 940645488 /nfs/dbraw/zinc/64/54/88/940645488.db2.gz IHUNBMURFKPUHR-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001269199191 940645490 /nfs/dbraw/zinc/64/54/90/940645490.db2.gz IHUNBMURFKPUHR-HUUCEWRRSA-N 2 1 311.426 0.100 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482235407 940747153 /nfs/dbraw/zinc/74/71/53/940747153.db2.gz DUJSFWSXQZFQPS-MRXNPFEDSA-N 2 1 321.465 0.997 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001269718820 940762923 /nfs/dbraw/zinc/76/29/23/940762923.db2.gz DRZJDLTVXVVFGQ-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001269718820 940762925 /nfs/dbraw/zinc/76/29/25/940762925.db2.gz DRZJDLTVXVVFGQ-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001269718820 940762928 /nfs/dbraw/zinc/76/29/28/940762928.db2.gz DRZJDLTVXVVFGQ-FUHWJXTLSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001270187556 940852021 /nfs/dbraw/zinc/85/20/21/940852021.db2.gz JDNNTWZCDXGRRE-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270331546 940881845 /nfs/dbraw/zinc/88/18/45/940881845.db2.gz HYMXBYCTEUEMOJ-WBVHZDCISA-N 2 1 321.465 0.778 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483650271 942624588 /nfs/dbraw/zinc/62/45/88/942624588.db2.gz DOXZBKPSHNFPJM-HOTGVXAUSA-N 2 1 307.438 0.721 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001272617569 942870272 /nfs/dbraw/zinc/87/02/72/942870272.db2.gz XIGOGTPUZBSNBU-DLBZAZTESA-N 2 1 321.465 0.806 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001484025020 943091272 /nfs/dbraw/zinc/09/12/72/943091272.db2.gz FKEKJJVCTCDINQ-INIZCTEOSA-N 2 1 308.470 0.733 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@H](C)O)CC1 ZINC001484810581 943584193 /nfs/dbraw/zinc/58/41/93/943584193.db2.gz CHJJVCJNQSDBII-HOTGVXAUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]C[C@H](C)O)CC1 ZINC001484810581 943584196 /nfs/dbraw/zinc/58/41/96/943584196.db2.gz CHJJVCJNQSDBII-HOTGVXAUSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484841367 943590565 /nfs/dbraw/zinc/59/05/65/943590565.db2.gz HUSPACNNZLLEIR-AEFFLSMTSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001484947313 943629387 /nfs/dbraw/zinc/62/93/87/943629387.db2.gz WHTZIGSGRDUXTJ-UHFFFAOYSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001484947313 943629388 /nfs/dbraw/zinc/62/93/88/943629388.db2.gz WHTZIGSGRDUXTJ-UHFFFAOYSA-N 2 1 306.454 0.180 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001485298646 943808460 /nfs/dbraw/zinc/80/84/60/943808460.db2.gz BRAWTIJNBJSCSY-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485298646 943808466 /nfs/dbraw/zinc/80/84/66/943808466.db2.gz BRAWTIJNBJSCSY-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001485298646 943808471 /nfs/dbraw/zinc/80/84/71/943808471.db2.gz BRAWTIJNBJSCSY-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001485298646 943808477 /nfs/dbraw/zinc/80/84/77/943808477.db2.gz BRAWTIJNBJSCSY-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580290 944012148 /nfs/dbraw/zinc/01/21/48/944012148.db2.gz FPLAHHYWGXSSBT-LSDHHAIUSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580290 944012152 /nfs/dbraw/zinc/01/21/52/944012152.db2.gz FPLAHHYWGXSSBT-LSDHHAIUSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580290 944012158 /nfs/dbraw/zinc/01/21/58/944012158.db2.gz FPLAHHYWGXSSBT-LSDHHAIUSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580290 944012163 /nfs/dbraw/zinc/01/21/63/944012163.db2.gz FPLAHHYWGXSSBT-LSDHHAIUSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276609698 944231444 /nfs/dbraw/zinc/23/14/44/944231444.db2.gz XXIRVFMPSYQANF-KBPBESRZSA-N 2 1 324.469 0.455 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276609698 944231452 /nfs/dbraw/zinc/23/14/52/944231452.db2.gz XXIRVFMPSYQANF-KBPBESRZSA-N 2 1 324.469 0.455 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001485883421 944381171 /nfs/dbraw/zinc/38/11/71/944381171.db2.gz SQXRVEMNYNHHGE-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001486095988 944551950 /nfs/dbraw/zinc/55/19/50/944551950.db2.gz MABNTXNETIACEZ-GXTWGEPZSA-N 2 1 319.409 0.073 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001486312177 944771824 /nfs/dbraw/zinc/77/18/24/944771824.db2.gz SCWJBKQZUPIHBV-ZBFHGGJFSA-N 2 1 318.421 0.186 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]21 ZINC001317212170 944853693 /nfs/dbraw/zinc/85/36/93/944853693.db2.gz YYDRHBGKOZADNG-NRKLIOEPSA-N 2 1 319.449 0.291 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]21 ZINC001317212170 944853704 /nfs/dbraw/zinc/85/37/04/944853704.db2.gz YYDRHBGKOZADNG-NRKLIOEPSA-N 2 1 319.449 0.291 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC[C@@H](C)O)C[C@H]21 ZINC001317212170 944853712 /nfs/dbraw/zinc/85/37/12/944853712.db2.gz YYDRHBGKOZADNG-NRKLIOEPSA-N 2 1 319.449 0.291 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC[C@@H](C)O)C[C@H]21 ZINC001317212170 944853720 /nfs/dbraw/zinc/85/37/20/944853720.db2.gz YYDRHBGKOZADNG-NRKLIOEPSA-N 2 1 319.449 0.291 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317301825 944909350 /nfs/dbraw/zinc/90/93/50/944909350.db2.gz CPRGLZJVKCXQTA-ZDUSSCGKSA-N 2 1 322.409 0.743 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001486509403 944945852 /nfs/dbraw/zinc/94/58/52/944945852.db2.gz RTORORQXEPUNIQ-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001486509403 944945858 /nfs/dbraw/zinc/94/58/58/944945858.db2.gz RTORORQXEPUNIQ-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001486509403 944945862 /nfs/dbraw/zinc/94/58/62/944945862.db2.gz RTORORQXEPUNIQ-QGZVFWFLSA-N 2 1 319.449 0.869 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC#CCOC ZINC001318529388 945394077 /nfs/dbraw/zinc/39/40/77/945394077.db2.gz KZAWOHZRUOAUFU-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP CCOC(=O)[C@@]12C[N@H+]([C@H]3CCN[C@H](C#N)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246601746 945441779 /nfs/dbraw/zinc/44/17/79/945441779.db2.gz GPTUUBUXOCDZRL-JKQORVJESA-N 2 1 320.437 0.495 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001319922047 945694003 /nfs/dbraw/zinc/69/40/03/945694003.db2.gz KGTIMDIKOLRKOZ-HZPDHXFCSA-N 2 1 309.454 0.851 20 30 DCEDMP C=C[C@H](O)C[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001253576198 946132448 /nfs/dbraw/zinc/13/24/48/946132448.db2.gz BJXIAHCQAFHUSJ-HNNXBMFYSA-N 2 1 320.437 0.836 20 30 DCEDMP C=C[C@H](O)C[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001253576198 946132451 /nfs/dbraw/zinc/13/24/51/946132451.db2.gz BJXIAHCQAFHUSJ-HNNXBMFYSA-N 2 1 320.437 0.836 20 30 DCEDMP C=C[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001253576198 946132455 /nfs/dbraw/zinc/13/24/55/946132455.db2.gz BJXIAHCQAFHUSJ-HNNXBMFYSA-N 2 1 320.437 0.836 20 30 DCEDMP C=C[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001253576198 946132457 /nfs/dbraw/zinc/13/24/57/946132457.db2.gz BJXIAHCQAFHUSJ-HNNXBMFYSA-N 2 1 320.437 0.836 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001278805651 946425461 /nfs/dbraw/zinc/42/54/61/946425461.db2.gz OUAZXOUXBNNDGF-RDJZCZTQSA-N 2 1 309.454 0.683 20 30 DCEDMP C[NH+](C)CC#CCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC001256584553 946647436 /nfs/dbraw/zinc/64/74/36/946647436.db2.gz GJXRRIGZSTUXPE-UHFFFAOYSA-N 2 1 323.485 0.267 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492724 947319834 /nfs/dbraw/zinc/31/98/34/947319834.db2.gz ROBPFVTXZOUHSD-CYBMUJFWSA-N 2 1 308.426 0.852 20 30 DCEDMP COCC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001324328675 947390264 /nfs/dbraw/zinc/39/02/64/947390264.db2.gz CEYGRAIDJIVFDR-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001273456643 947738673 /nfs/dbraw/zinc/73/86/73/947738673.db2.gz KWZKMANNLZZEMY-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325859144 947957607 /nfs/dbraw/zinc/95/76/07/947957607.db2.gz CDBOIGITDAABTG-SFHVURJKSA-N 2 1 323.481 0.931 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325859144 947957612 /nfs/dbraw/zinc/95/76/12/947957612.db2.gz CDBOIGITDAABTG-SFHVURJKSA-N 2 1 323.481 0.931 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325859144 947957621 /nfs/dbraw/zinc/95/76/21/947957621.db2.gz CDBOIGITDAABTG-SFHVURJKSA-N 2 1 323.481 0.931 20 30 DCEDMP C=C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273880838 948651813 /nfs/dbraw/zinc/65/18/13/948651813.db2.gz GPLJYHNWRRBCLR-DOTOQJQBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001328155720 948724993 /nfs/dbraw/zinc/72/49/93/948724993.db2.gz LQQGFRVISSBNPU-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001263969985 948819843 /nfs/dbraw/zinc/81/98/43/948819843.db2.gz CNDHWKXMUXZQOX-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264069850 948857965 /nfs/dbraw/zinc/85/79/65/948857965.db2.gz BSRLJHVSNXIYQV-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001264633078 949041060 /nfs/dbraw/zinc/04/10/60/949041060.db2.gz VARQYXACFVTPKK-HZPDHXFCSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001264633078 949041079 /nfs/dbraw/zinc/04/10/79/949041079.db2.gz VARQYXACFVTPKK-HZPDHXFCSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001264633078 949041100 /nfs/dbraw/zinc/04/11/00/949041100.db2.gz VARQYXACFVTPKK-HZPDHXFCSA-N 2 1 309.454 0.942 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001264657051 949056721 /nfs/dbraw/zinc/05/67/21/949056721.db2.gz KUFGSHUCOGCYAW-IKGGRYGDSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001264657051 949056741 /nfs/dbraw/zinc/05/67/41/949056741.db2.gz KUFGSHUCOGCYAW-IKGGRYGDSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001264657051 949056761 /nfs/dbraw/zinc/05/67/61/949056761.db2.gz KUFGSHUCOGCYAW-IKGGRYGDSA-N 2 1 319.449 0.368 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001265265333 949515509 /nfs/dbraw/zinc/51/55/09/949515509.db2.gz VWCBCHSAVJPOCM-SJORKVTESA-N 2 1 320.481 0.923 20 30 DCEDMP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001329358683 949530558 /nfs/dbraw/zinc/53/05/58/949530558.db2.gz QNULBMMFCKCPQA-UHFFFAOYSA-N 2 1 320.437 0.916 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001489160894 949571899 /nfs/dbraw/zinc/57/18/99/949571899.db2.gz PICBRRYIBAWPKG-IAGOWNOFSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001489160894 949571909 /nfs/dbraw/zinc/57/19/09/949571909.db2.gz PICBRRYIBAWPKG-IAGOWNOFSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001489160894 949571923 /nfs/dbraw/zinc/57/19/23/949571923.db2.gz PICBRRYIBAWPKG-IAGOWNOFSA-N 2 1 321.465 0.778 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265386542 949647781 /nfs/dbraw/zinc/64/77/81/949647781.db2.gz IEHNSWFTRSTVDG-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265386542 949647791 /nfs/dbraw/zinc/64/77/91/949647791.db2.gz IEHNSWFTRSTVDG-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265386542 949647803 /nfs/dbraw/zinc/64/78/03/949647803.db2.gz IEHNSWFTRSTVDG-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265386542 949647815 /nfs/dbraw/zinc/64/78/15/949647815.db2.gz IEHNSWFTRSTVDG-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360025 950310465 /nfs/dbraw/zinc/31/04/65/950310465.db2.gz MPULRLQTZUMTNW-LUKYLMHMSA-N 2 1 319.449 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330360025 950310485 /nfs/dbraw/zinc/31/04/85/950310485.db2.gz MPULRLQTZUMTNW-LUKYLMHMSA-N 2 1 319.449 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001330360025 950310502 /nfs/dbraw/zinc/31/05/02/950310502.db2.gz MPULRLQTZUMTNW-LUKYLMHMSA-N 2 1 319.449 0.272 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCn1cccn1 ZINC001490208886 950338214 /nfs/dbraw/zinc/33/82/14/950338214.db2.gz PYNUAZRWBVKGSO-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCn1cccn1 ZINC001490208886 950338235 /nfs/dbraw/zinc/33/82/35/950338235.db2.gz PYNUAZRWBVKGSO-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCn1cccn1 ZINC001490208886 950338256 /nfs/dbraw/zinc/33/82/56/950338256.db2.gz PYNUAZRWBVKGSO-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCn1cccn1 ZINC001490208886 950338277 /nfs/dbraw/zinc/33/82/77/950338277.db2.gz PYNUAZRWBVKGSO-INIZCTEOSA-N 2 1 317.437 0.419 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266154789 950425082 /nfs/dbraw/zinc/42/50/82/950425082.db2.gz FZPPPXWJARXAQA-UONOGXRCSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001279830572 950706746 /nfs/dbraw/zinc/70/67/46/950706746.db2.gz GJJRQGPCHSHTMM-HNNXBMFYSA-N 2 1 318.421 0.188 20 30 DCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001490507011 950829967 /nfs/dbraw/zinc/82/99/67/950829967.db2.gz JGSPXOKQXRLSHD-UHFFFAOYSA-N 2 1 320.481 0.475 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001495398838 950964334 /nfs/dbraw/zinc/96/43/34/950964334.db2.gz ZTIUZKGQELKBER-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=C)C)C1 ZINC001280595366 950973558 /nfs/dbraw/zinc/97/35/58/950973558.db2.gz JUQHJTMTZJQETR-HOTGVXAUSA-N 2 1 305.422 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=C)C)C1 ZINC001280595366 950973573 /nfs/dbraw/zinc/97/35/73/950973573.db2.gz JUQHJTMTZJQETR-HOTGVXAUSA-N 2 1 305.422 0.477 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001281461307 951509634 /nfs/dbraw/zinc/50/96/34/951509634.db2.gz HKIZVWKZDNJFNJ-DZGCQCFKSA-N 2 1 306.410 0.831 20 30 DCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001281617831 951563100 /nfs/dbraw/zinc/56/31/00/951563100.db2.gz BUFQCCCMZVJJRF-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001332663366 951752208 /nfs/dbraw/zinc/75/22/08/951752208.db2.gz MYEKEBWTMDYUCZ-GDBMZVCRSA-N 2 1 320.437 0.691 20 30 DCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001332663366 951752216 /nfs/dbraw/zinc/75/22/16/951752216.db2.gz MYEKEBWTMDYUCZ-GDBMZVCRSA-N 2 1 320.437 0.691 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1c(C)noc1C ZINC001275185360 951990484 /nfs/dbraw/zinc/99/04/84/951990484.db2.gz SRNNSIPNSSBADG-LRDDRELGSA-N 2 1 318.421 0.983 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1c(C)noc1C ZINC001275185360 951990487 /nfs/dbraw/zinc/99/04/87/951990487.db2.gz SRNNSIPNSSBADG-LRDDRELGSA-N 2 1 318.421 0.983 20 30 DCEDMP C#CCNC(=O)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335899804 952616964 /nfs/dbraw/zinc/61/69/64/952616964.db2.gz ZOPVGVHCHZGTCA-GOSISDBHSA-N 2 1 315.417 0.353 20 30 DCEDMP C#CCNC(=O)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335899804 952616967 /nfs/dbraw/zinc/61/69/67/952616967.db2.gz ZOPVGVHCHZGTCA-GOSISDBHSA-N 2 1 315.417 0.353 20 30 DCEDMP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001340219924 953154986 /nfs/dbraw/zinc/15/49/86/953154986.db2.gz OUUHZAIMJJDEFW-CQSZACIVSA-N 2 1 310.442 0.339 20 30 DCEDMP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCC[NH2+]1 ZINC001342697242 953302810 /nfs/dbraw/zinc/30/28/10/953302810.db2.gz ZKWRYEYFVWCMJV-BFYDXBDKSA-N 2 1 307.438 0.742 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001282886257 953721301 /nfs/dbraw/zinc/72/13/01/953721301.db2.gz RAFHPJDVIKXCDT-PHZGNYQRSA-N 2 1 307.438 0.270 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001282886257 953721309 /nfs/dbraw/zinc/72/13/09/953721309.db2.gz RAFHPJDVIKXCDT-PHZGNYQRSA-N 2 1 307.438 0.270 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001282886257 953721321 /nfs/dbraw/zinc/72/13/21/953721321.db2.gz RAFHPJDVIKXCDT-PHZGNYQRSA-N 2 1 307.438 0.270 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001491578353 958873686 /nfs/dbraw/zinc/87/36/86/958873686.db2.gz CULBRYUXXKPNCT-DZGCQCFKSA-N 2 1 318.421 0.498 20 30 DCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001491857508 959313960 /nfs/dbraw/zinc/31/39/60/959313960.db2.gz TYLGGFUSYDWBTG-HNNXBMFYSA-N 2 1 306.410 0.832 20 30 DCEDMP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001377161661 959601939 /nfs/dbraw/zinc/60/19/39/959601939.db2.gz ZEYJFCODMDMKEB-DZGCQCFKSA-N 2 1 315.845 0.776 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316992629 960332406 /nfs/dbraw/zinc/33/24/06/960332406.db2.gz SBJUWVVUMAYVIB-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316992629 960332414 /nfs/dbraw/zinc/33/24/14/960332414.db2.gz SBJUWVVUMAYVIB-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316992629 960332425 /nfs/dbraw/zinc/33/24/25/960332425.db2.gz SBJUWVVUMAYVIB-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316992629 960332434 /nfs/dbraw/zinc/33/24/34/960332434.db2.gz SBJUWVVUMAYVIB-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001382171312 967004145 /nfs/dbraw/zinc/00/41/45/967004145.db2.gz QUBLBVLWGNHUSG-STQMWFEESA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001382171312 967004150 /nfs/dbraw/zinc/00/41/50/967004150.db2.gz QUBLBVLWGNHUSG-STQMWFEESA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001448945719 1014104596 /nfs/dbraw/zinc/10/45/96/1014104596.db2.gz KUFROFVWYHCRPY-ZIAGYGMSSA-N 2 1 317.861 0.926 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001394655519 993977951 /nfs/dbraw/zinc/97/79/51/993977951.db2.gz ITYRZCVQJNBCSO-NEPJUHHUSA-N 2 1 322.434 0.138 20 30 DCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001502591622 1015987153 /nfs/dbraw/zinc/98/71/53/1015987153.db2.gz CRYQJARQUWJZMK-SJLPKXTDSA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001502634055 1016010273 /nfs/dbraw/zinc/01/02/73/1016010273.db2.gz STWSSVCEFHWNNJ-HNNXBMFYSA-N 2 1 307.438 0.749 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001502720941 1016040059 /nfs/dbraw/zinc/04/00/59/1016040059.db2.gz KMISCQDHHDWVSS-HIFRSBDPSA-N 2 1 322.453 0.209 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001502834510 1016095277 /nfs/dbraw/zinc/09/52/77/1016095277.db2.gz LXUBNWPVXNSYPO-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001507478910 1016384551 /nfs/dbraw/zinc/38/45/51/1016384551.db2.gz OFEDCBHMDFIITM-DOMZBBRYSA-N 2 1 321.425 0.385 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001507478910 1016384566 /nfs/dbraw/zinc/38/45/66/1016384566.db2.gz OFEDCBHMDFIITM-DOMZBBRYSA-N 2 1 321.425 0.385 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001508228518 1016725523 /nfs/dbraw/zinc/72/55/23/1016725523.db2.gz HMBZEVYICFPSLU-INIZCTEOSA-N 2 1 319.449 0.726 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001406297468 1003578852 /nfs/dbraw/zinc/57/88/52/1003578852.db2.gz FXHODXHWRGYTAX-OLZOCXBDSA-N 2 1 303.834 0.680 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001506065913 1016972307 /nfs/dbraw/zinc/97/23/07/1016972307.db2.gz YIKRMNCWPPRAFE-UKRRQHHQSA-N 2 1 322.453 0.032 20 30 DCEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548703922 1012999619 /nfs/dbraw/zinc/99/96/19/1012999619.db2.gz WIWUVLAQPVPNJN-HOCLYGCPSA-N 2 1 306.454 0.531 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480142694 1018248853 /nfs/dbraw/zinc/24/88/53/1018248853.db2.gz TWNFKOGMYYOPOA-MGPQQGTHSA-N 2 1 322.453 0.398 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500402543 1018440667 /nfs/dbraw/zinc/44/06/67/1018440667.db2.gz VGWCOJUMPSTFTR-RDJZCZTQSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2nonc2C)CC1 ZINC001497991149 1018565965 /nfs/dbraw/zinc/56/59/65/1018565965.db2.gz VUYZHTUYIGMSEB-GFCCVEGCSA-N 2 1 319.409 0.318 20 30 DCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001500715202 1018607992 /nfs/dbraw/zinc/60/79/92/1018607992.db2.gz TVFHFZPWESPKEW-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001500715202 1018607997 /nfs/dbraw/zinc/60/79/97/1018607997.db2.gz TVFHFZPWESPKEW-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001500715202 1018608013 /nfs/dbraw/zinc/60/80/13/1018608013.db2.gz TVFHFZPWESPKEW-NVXWUHKLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001480737644 1018846125 /nfs/dbraw/zinc/84/61/25/1018846125.db2.gz AOQCDKKACNHUJN-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480737644 1018846142 /nfs/dbraw/zinc/84/61/42/1018846142.db2.gz AOQCDKKACNHUJN-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001480737644 1018846159 /nfs/dbraw/zinc/84/61/59/1018846159.db2.gz AOQCDKKACNHUJN-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001480737644 1018846178 /nfs/dbraw/zinc/84/61/78/1018846178.db2.gz AOQCDKKACNHUJN-OAHLLOKOSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CCC[NH+](C)C ZINC001496200852 1019160185 /nfs/dbraw/zinc/16/01/85/1019160185.db2.gz NIDISMBJUFNSDZ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CCC[NH+](C)C ZINC001496200852 1019160192 /nfs/dbraw/zinc/16/01/92/1019160192.db2.gz NIDISMBJUFNSDZ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001493962368 1019856869 /nfs/dbraw/zinc/85/68/69/1019856869.db2.gz VNGQRNMKIOBQRJ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001493962368 1019856877 /nfs/dbraw/zinc/85/68/77/1019856877.db2.gz VNGQRNMKIOBQRJ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001494106720 1019987742 /nfs/dbraw/zinc/98/77/42/1019987742.db2.gz HJJSLSIKFRZVEU-MRXNPFEDSA-N 2 1 308.470 0.282 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001660904505 1174066834 /nfs/dbraw/zinc/06/68/34/1174066834.db2.gz KMJFCRCICICNBO-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CC[NH+]1CCN(CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001660904505 1174066840 /nfs/dbraw/zinc/06/68/40/1174066840.db2.gz KMJFCRCICICNBO-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C=CCN1CC[NH+](CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001660904505 1174066831 /nfs/dbraw/zinc/06/68/31/1174066831.db2.gz KMJFCRCICICNBO-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262280462 529800219 /nfs/dbraw/zinc/80/02/19/529800219.db2.gz IYQOXUXUMXJKEP-MRXNPFEDSA-N 2 1 320.393 0.641 20 30 DCEDMP CN(C)C(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000178567293 237232148 /nfs/dbraw/zinc/23/21/48/237232148.db2.gz WSZRPOKEVZSDEN-OAHLLOKOSA-N 2 1 317.437 0.760 20 30 DCEDMP CN(C)C(=O)CNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C1CCCC1 ZINC000262337132 238172482 /nfs/dbraw/zinc/17/24/82/238172482.db2.gz WKWXMNQHDNMIGU-AWEZNQCLSA-N 2 1 321.469 0.789 20 30 DCEDMP CN(C)C(=O)CNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C1CCCC1 ZINC000262337132 238172484 /nfs/dbraw/zinc/17/24/84/238172484.db2.gz WKWXMNQHDNMIGU-AWEZNQCLSA-N 2 1 321.469 0.789 20 30 DCEDMP Cc1cc(C)n(CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000264096379 238189550 /nfs/dbraw/zinc/18/95/50/238189550.db2.gz MBFUKSORCXNAPU-UHFFFAOYSA-N 2 1 322.457 0.517 20 30 DCEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264098718 238189937 /nfs/dbraw/zinc/18/99/37/238189937.db2.gz NJIJQUGNNXNECD-XJKSGUPXSA-N 2 1 320.437 0.345 20 30 DCEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000262547826 532965199 /nfs/dbraw/zinc/96/51/99/532965199.db2.gz WCUORDUVLWSWEB-GFCCVEGCSA-N 2 1 321.425 0.676 20 30 DCEDMP C=CCN(CC=C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272530114 395897681 /nfs/dbraw/zinc/89/76/81/395897681.db2.gz QTFCKRYSEBUVFK-UHFFFAOYSA-N 2 1 308.470 0.756 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130551698 395923235 /nfs/dbraw/zinc/92/32/35/395923235.db2.gz MRUPJKICWSRXMN-LBPRGKRZSA-N 2 1 307.398 0.914 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130551698 395923238 /nfs/dbraw/zinc/92/32/38/395923238.db2.gz MRUPJKICWSRXMN-LBPRGKRZSA-N 2 1 307.398 0.914 20 30 DCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)o1 ZINC000600769478 396941153 /nfs/dbraw/zinc/94/11/53/396941153.db2.gz VVIANADHTMOXMD-ZDUSSCGKSA-N 2 1 302.378 0.795 20 30 DCEDMP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000329523995 416175440 /nfs/dbraw/zinc/17/54/40/416175440.db2.gz QFVQYNWVEXSUAU-KGLIPLIRSA-N 2 1 310.442 0.574 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000329351514 416165260 /nfs/dbraw/zinc/16/52/60/416165260.db2.gz FKJXYPMGFQXKTJ-INIZCTEOSA-N 2 1 323.485 0.776 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)CC1 ZINC000491040036 416583567 /nfs/dbraw/zinc/58/35/67/416583567.db2.gz RTJJGNYFLUCUAF-RDJZCZTQSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000491709817 416618613 /nfs/dbraw/zinc/61/86/13/416618613.db2.gz XINAWWKCQVLFPM-HOTGVXAUSA-N 2 1 306.454 0.973 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000491769947 416624701 /nfs/dbraw/zinc/62/47/01/416624701.db2.gz MBGGTYTWLYCLHO-UHFFFAOYSA-N 2 1 320.481 0.474 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654431281 418143168 /nfs/dbraw/zinc/14/31/68/418143168.db2.gz DEUVJGWAJLCOHJ-LSDHHAIUSA-N 2 1 308.426 0.097 20 30 DCEDMP C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)N1CC[NH+](C)CC1 ZINC000329290853 279180391 /nfs/dbraw/zinc/18/03/91/279180391.db2.gz APYJOUYERZUITC-HUUCEWRRSA-N 2 1 312.458 0.426 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001657079927 1173906137 /nfs/dbraw/zinc/90/61/37/1173906137.db2.gz WBRVYLGIGCBOIR-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000329782334 336081071 /nfs/dbraw/zinc/08/10/71/336081071.db2.gz UHFNMZPODILVAD-TZMCWYRMSA-N 2 1 310.442 0.429 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000131707441 341109339 /nfs/dbraw/zinc/10/93/39/341109339.db2.gz NELWWOFUZLVKOV-MRXNPFEDSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001567449457 1160371103 /nfs/dbraw/zinc/37/11/03/1160371103.db2.gz YNIVRJWGWAFYJT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001567449457 1160371104 /nfs/dbraw/zinc/37/11/04/1160371104.db2.gz YNIVRJWGWAFYJT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001567449457 1160371112 /nfs/dbraw/zinc/37/11/12/1160371112.db2.gz YNIVRJWGWAFYJT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001567449457 1160371117 /nfs/dbraw/zinc/37/11/17/1160371117.db2.gz YNIVRJWGWAFYJT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001567720416 1160463065 /nfs/dbraw/zinc/46/30/65/1160463065.db2.gz WMWPIKSERKNOGB-MRXNPFEDSA-N 2 1 308.470 0.733 20 30 DCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001569728327 1161207843 /nfs/dbraw/zinc/20/78/43/1161207843.db2.gz REIMZIQQCZPNMS-AWEZNQCLSA-N 2 1 311.426 0.148 20 30 DCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001569728327 1161207847 /nfs/dbraw/zinc/20/78/47/1161207847.db2.gz REIMZIQQCZPNMS-AWEZNQCLSA-N 2 1 311.426 0.148 20 30 DCEDMP C[C@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)N1 ZINC000262642851 533989567 /nfs/dbraw/zinc/98/95/67/533989567.db2.gz IDXNNDPXZWHSSL-AWEZNQCLSA-N 2 1 301.438 0.871 20 30 DCEDMP C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261950663 526386818 /nfs/dbraw/zinc/38/68/18/526386818.db2.gz HFXFOUQGAJBMQA-XHDPSFHLSA-N 2 1 302.426 0.933 20 30 DCEDMP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000261786008 526414120 /nfs/dbraw/zinc/41/41/20/526414120.db2.gz FWDYZAMQOJVXFS-CYBMUJFWSA-N 2 1 308.430 0.202 20 30 DCEDMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185317 661096741 /nfs/dbraw/zinc/09/67/41/661096741.db2.gz TZDBVTLSCLKRFH-OLZOCXBDSA-N 2 1 304.394 1.000 20 30 DCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208758 661101384 /nfs/dbraw/zinc/10/13/84/661101384.db2.gz BVNNEWUILLPHMO-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981208758 661101385 /nfs/dbraw/zinc/10/13/85/661101385.db2.gz BVNNEWUILLPHMO-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981208758 661101386 /nfs/dbraw/zinc/10/13/86/661101386.db2.gz BVNNEWUILLPHMO-JKSUJKDBSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208755 661101638 /nfs/dbraw/zinc/10/16/38/661101638.db2.gz BVNNEWUILLPHMO-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981208755 661101640 /nfs/dbraw/zinc/10/16/40/661101640.db2.gz BVNNEWUILLPHMO-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981208755 661101642 /nfs/dbraw/zinc/10/16/42/661101642.db2.gz BVNNEWUILLPHMO-HOTGVXAUSA-N 2 1 307.438 0.960 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(CN(C)C)on2)C[C@@H]1C ZINC000947471376 657823796 /nfs/dbraw/zinc/82/37/96/657823796.db2.gz BJCXLTBDWGNSOB-STQMWFEESA-N 2 1 304.394 0.952 20 30 DCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969688158 658079833 /nfs/dbraw/zinc/07/98/33/658079833.db2.gz SYDJXDQWDHASAB-ZDUSSCGKSA-N 2 1 303.410 0.128 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001023757729 658208161 /nfs/dbraw/zinc/20/81/61/658208161.db2.gz NMFHPCQZJWFHCF-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023757729 658208165 /nfs/dbraw/zinc/20/81/65/658208165.db2.gz NMFHPCQZJWFHCF-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757729 658208169 /nfs/dbraw/zinc/20/81/69/658208169.db2.gz NMFHPCQZJWFHCF-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757729 658208175 /nfs/dbraw/zinc/20/81/75/658208175.db2.gz NMFHPCQZJWFHCF-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041841823 658393962 /nfs/dbraw/zinc/39/39/62/658393962.db2.gz VICCAWHKTGGICS-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041841823 658393969 /nfs/dbraw/zinc/39/39/69/658393969.db2.gz VICCAWHKTGGICS-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841823 658393979 /nfs/dbraw/zinc/39/39/79/658393979.db2.gz VICCAWHKTGGICS-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041841823 658393990 /nfs/dbraw/zinc/39/39/90/658393990.db2.gz VICCAWHKTGGICS-DOTOQJQBSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000972392012 658707155 /nfs/dbraw/zinc/70/71/55/658707155.db2.gz GKSAWRLLGMDOGA-JZXOWHBKSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561644 658717951 /nfs/dbraw/zinc/71/79/51/658717951.db2.gz UFNDSSRUNCLABG-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561644 658717953 /nfs/dbraw/zinc/71/79/53/658717953.db2.gz UFNDSSRUNCLABG-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561644 658717959 /nfs/dbraw/zinc/71/79/59/658717959.db2.gz UFNDSSRUNCLABG-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561644 658717965 /nfs/dbraw/zinc/71/79/65/658717965.db2.gz UFNDSSRUNCLABG-NDUQDZPOSA-N 2 1 317.433 0.454 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799061 659565331 /nfs/dbraw/zinc/56/53/31/659565331.db2.gz REMFUFQRYVSGAC-LJIZCISZSA-N 2 1 305.422 0.472 20 30 DCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025799061 659565332 /nfs/dbraw/zinc/56/53/32/659565332.db2.gz REMFUFQRYVSGAC-LJIZCISZSA-N 2 1 305.422 0.472 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974590538 659584317 /nfs/dbraw/zinc/58/43/17/659584317.db2.gz BHWQAFYGBJNKSF-OAHLLOKOSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974590538 659584320 /nfs/dbraw/zinc/58/43/20/659584320.db2.gz BHWQAFYGBJNKSF-OAHLLOKOSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850461 659694951 /nfs/dbraw/zinc/69/49/51/659694951.db2.gz HZIPCVATTRDYJB-DIODGJHASA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850461 659694954 /nfs/dbraw/zinc/69/49/54/659694954.db2.gz HZIPCVATTRDYJB-DIODGJHASA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850461 659694957 /nfs/dbraw/zinc/69/49/57/659694957.db2.gz HZIPCVATTRDYJB-DIODGJHASA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850461 659694960 /nfs/dbraw/zinc/69/49/60/659694960.db2.gz HZIPCVATTRDYJB-DIODGJHASA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838961 665859029 /nfs/dbraw/zinc/85/90/29/665859029.db2.gz KLMYBMXQEGIVSW-OAGGEKHMSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838961 665859031 /nfs/dbraw/zinc/85/90/31/665859031.db2.gz KLMYBMXQEGIVSW-OAGGEKHMSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838961 665859032 /nfs/dbraw/zinc/85/90/32/665859032.db2.gz KLMYBMXQEGIVSW-OAGGEKHMSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838961 665859033 /nfs/dbraw/zinc/85/90/33/665859033.db2.gz KLMYBMXQEGIVSW-OAGGEKHMSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260337 663069887 /nfs/dbraw/zinc/06/98/87/663069887.db2.gz CJVSAVYGBKFDOU-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260337 663069888 /nfs/dbraw/zinc/06/98/88/663069888.db2.gz CJVSAVYGBKFDOU-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260337 663069890 /nfs/dbraw/zinc/06/98/90/663069890.db2.gz CJVSAVYGBKFDOU-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260337 663069891 /nfs/dbraw/zinc/06/98/91/663069891.db2.gz CJVSAVYGBKFDOU-NUJGCVRESA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031679061 665285493 /nfs/dbraw/zinc/28/54/93/665285493.db2.gz GEBCLHUHYIOOQB-UHFFFAOYSA-N 2 1 303.410 0.130 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031740718 665396242 /nfs/dbraw/zinc/39/62/42/665396242.db2.gz JVPRKLREECEUBE-RDJZCZTQSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031740718 665396245 /nfs/dbraw/zinc/39/62/45/665396245.db2.gz JVPRKLREECEUBE-RDJZCZTQSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647177 666082239 /nfs/dbraw/zinc/08/22/39/666082239.db2.gz TZWAXXVZBQOUTI-PQUAAJSLSA-N 2 1 319.449 0.864 20 30 DCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996068442 666736622 /nfs/dbraw/zinc/73/66/22/666736622.db2.gz GVVGVDIKHSXJCE-DGSCNEQVSA-N 2 1 319.449 0.862 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001033687500 666795839 /nfs/dbraw/zinc/79/58/39/666795839.db2.gz HTEWAYAKQOOAHN-ZBFHGGJFSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048897 666908153 /nfs/dbraw/zinc/90/81/53/666908153.db2.gz YIKMKDYVSOIIEZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048897 666908156 /nfs/dbraw/zinc/90/81/56/666908156.db2.gz YIKMKDYVSOIIEZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034048897 666908157 /nfs/dbraw/zinc/90/81/57/666908157.db2.gz YIKMKDYVSOIIEZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048897 666908160 /nfs/dbraw/zinc/90/81/60/666908160.db2.gz YIKMKDYVSOIIEZ-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034436591 667026201 /nfs/dbraw/zinc/02/62/01/667026201.db2.gz SKHBHXHJBSFOGA-MRXNPFEDSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC000997148867 667172576 /nfs/dbraw/zinc/17/25/76/667172576.db2.gz KRKFYJCXYBESTC-INMHGKMJSA-N 2 1 321.465 0.682 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC000997148867 667172579 /nfs/dbraw/zinc/17/25/79/667172579.db2.gz KRKFYJCXYBESTC-INMHGKMJSA-N 2 1 321.465 0.682 20 30 DCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC000884208349 667499313 /nfs/dbraw/zinc/49/93/13/667499313.db2.gz XQENAHQXACRPJK-QJNCVLDKSA-N 2 1 318.421 0.105 20 30 DCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884233174 667506262 /nfs/dbraw/zinc/50/62/62/667506262.db2.gz LAGCBWREKXOMKD-HFSWDDHRSA-N 2 1 302.422 0.725 20 30 DCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377847 667520422 /nfs/dbraw/zinc/52/04/22/667520422.db2.gz PZJHCGXXLGYGEW-XHSDSOJGSA-N 2 1 322.453 0.534 20 30 DCEDMP C#CCOCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000755632436 668063044 /nfs/dbraw/zinc/06/30/44/668063044.db2.gz SXINALBINKBJBT-UHFFFAOYSA-N 2 1 302.378 0.812 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000890363433 668119350 /nfs/dbraw/zinc/11/93/50/668119350.db2.gz ONPWRUQNFKTUKX-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000890363433 668119352 /nfs/dbraw/zinc/11/93/52/668119352.db2.gz ONPWRUQNFKTUKX-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000890363433 668119354 /nfs/dbraw/zinc/11/93/54/668119354.db2.gz ONPWRUQNFKTUKX-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000890363433 668119356 /nfs/dbraw/zinc/11/93/56/668119356.db2.gz ONPWRUQNFKTUKX-HZPDHXFCSA-N 2 1 322.453 0.230 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000890371338 668123789 /nfs/dbraw/zinc/12/37/89/668123789.db2.gz SRLHTXRYEZUNQD-CVEARBPZSA-N 2 1 302.422 0.740 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000890371338 668123790 /nfs/dbraw/zinc/12/37/90/668123790.db2.gz SRLHTXRYEZUNQD-CVEARBPZSA-N 2 1 302.422 0.740 20 30 DCEDMP C=C(C)C[C@@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000883400638 669678748 /nfs/dbraw/zinc/67/87/48/669678748.db2.gz RMMBMDFBUXFPNQ-HNNXBMFYSA-N 2 1 305.426 0.645 20 30 DCEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949526460 670362725 /nfs/dbraw/zinc/36/27/25/670362725.db2.gz VJLVRPSCIKGUIT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526460 670362728 /nfs/dbraw/zinc/36/27/28/670362728.db2.gz VJLVRPSCIKGUIT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526460 670362730 /nfs/dbraw/zinc/36/27/30/670362730.db2.gz VJLVRPSCIKGUIT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526460 670362732 /nfs/dbraw/zinc/36/27/32/670362732.db2.gz VJLVRPSCIKGUIT-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP CCOC1CC(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000190136393 670379781 /nfs/dbraw/zinc/37/97/81/670379781.db2.gz ZLWRSDLLMHCLKB-UHFFFAOYSA-N 2 1 312.458 0.818 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000852870305 671181142 /nfs/dbraw/zinc/18/11/42/671181142.db2.gz ROYVKPKWCDALGJ-INIZCTEOSA-N 2 1 305.422 0.170 20 30 DCEDMP C#CCNC(=O)c1ccc(NCC[N@@H+](C)CCC[NH+](C)C)nc1 ZINC000853798478 671267743 /nfs/dbraw/zinc/26/77/43/671267743.db2.gz HMDPDPQXAQHRGS-UHFFFAOYSA-N 2 1 317.437 0.740 20 30 DCEDMP C#CCNC(=O)c1ccc(NCC[N@H+](C)CCC[NH+](C)C)nc1 ZINC000853798478 671267745 /nfs/dbraw/zinc/26/77/45/671267745.db2.gz HMDPDPQXAQHRGS-UHFFFAOYSA-N 2 1 317.437 0.740 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[S@](=O)C(C)(C)C ZINC000304752767 685211751 /nfs/dbraw/zinc/21/17/51/685211751.db2.gz KOOFRNBAEAZTQZ-YUNKPMOVSA-N 2 1 302.488 0.922 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC ZINC001037940962 693971577 /nfs/dbraw/zinc/97/15/77/693971577.db2.gz NWOVNBUUVZKLEB-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958266752 687495077 /nfs/dbraw/zinc/49/50/77/687495077.db2.gz CFACDCQAONUHKA-GDBMZVCRSA-N 2 1 312.373 0.380 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC000958345895 687566681 /nfs/dbraw/zinc/56/66/81/687566681.db2.gz UJUYPYONNVIUIA-HUUCEWRRSA-N 2 1 319.405 0.387 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)C[C@H]2O)CC1 ZINC000958723224 687875659 /nfs/dbraw/zinc/87/56/59/687875659.db2.gz DPPBRMGCJYPISC-IAGOWNOFSA-N 2 1 321.465 0.397 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000965925793 689584174 /nfs/dbraw/zinc/58/41/74/689584174.db2.gz QPDYCFPEKLVVJD-UKEPKTAJSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000965925793 689584177 /nfs/dbraw/zinc/58/41/77/689584177.db2.gz QPDYCFPEKLVVJD-UKEPKTAJSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#C)CC[C@@H]2C)CC1 ZINC000968681165 690365317 /nfs/dbraw/zinc/36/53/17/690365317.db2.gz HDDXVHILROIIBC-DOTOQJQBSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#C)CC[C@@H]2C)CC1 ZINC000968681165 690365320 /nfs/dbraw/zinc/36/53/20/690365320.db2.gz HDDXVHILROIIBC-DOTOQJQBSA-N 2 1 301.434 0.791 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457376 692023723 /nfs/dbraw/zinc/02/37/23/692023723.db2.gz GXTPOMLRQPCXRP-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457376 692023727 /nfs/dbraw/zinc/02/37/27/692023727.db2.gz GXTPOMLRQPCXRP-CQSZACIVSA-N 2 1 303.410 0.272 20 30 DCEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016553060 692718294 /nfs/dbraw/zinc/71/82/94/692718294.db2.gz PFIHSFLIFVCSHU-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553060 692718296 /nfs/dbraw/zinc/71/82/96/692718296.db2.gz PFIHSFLIFVCSHU-LSDHHAIUSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016669914 692743383 /nfs/dbraw/zinc/74/33/83/692743383.db2.gz MUDWEQHPFMVPSY-LSDHHAIUSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016669914 692743385 /nfs/dbraw/zinc/74/33/85/692743385.db2.gz MUDWEQHPFMVPSY-LSDHHAIUSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016789254 692771304 /nfs/dbraw/zinc/77/13/04/692771304.db2.gz BPEKGEMSGSYNBY-HOTGVXAUSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016789254 692771307 /nfs/dbraw/zinc/77/13/07/692771307.db2.gz BPEKGEMSGSYNBY-HOTGVXAUSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985904 692820941 /nfs/dbraw/zinc/82/09/41/692820941.db2.gz LXJFPSRFMLHJOO-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985904 692820944 /nfs/dbraw/zinc/82/09/44/692820944.db2.gz LXJFPSRFMLHJOO-JKSUJKDBSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017569505 692940193 /nfs/dbraw/zinc/94/01/93/692940193.db2.gz NBEIMVFFALZPJB-YVSFHVDLSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017569505 692940198 /nfs/dbraw/zinc/94/01/98/692940198.db2.gz NBEIMVFFALZPJB-YVSFHVDLSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569505 692940202 /nfs/dbraw/zinc/94/02/02/692940202.db2.gz NBEIMVFFALZPJB-YVSFHVDLSA-N 2 1 317.433 0.548 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569505 692940209 /nfs/dbraw/zinc/94/02/09/692940209.db2.gz NBEIMVFFALZPJB-YVSFHVDLSA-N 2 1 317.433 0.548 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677642 694765831 /nfs/dbraw/zinc/76/58/31/694765831.db2.gz NCOUQFIKGWSQBQ-MRXNPFEDSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 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PMYSGXMLSWYXPP-INIZCTEOSA-N 2 1 318.421 0.668 20 30 DCEDMP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC001571563403 1162812269 /nfs/dbraw/zinc/81/22/69/1162812269.db2.gz JITWNDQLGUWGSH-HOTGVXAUSA-N 2 1 321.465 0.805 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#CCOC)C1CC1 ZINC001670480026 1157448668 /nfs/dbraw/zinc/44/86/68/1157448668.db2.gz LSQWJNIKXBTTIZ-IRXDYDNUSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001691154523 1157600724 /nfs/dbraw/zinc/60/07/24/1157600724.db2.gz QNLFTKSVUJVJEU-ULQDDVLXSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001691154523 1157600729 /nfs/dbraw/zinc/60/07/29/1157600729.db2.gz QNLFTKSVUJVJEU-ULQDDVLXSA-N 2 1 321.465 0.805 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001691154523 1157600732 /nfs/dbraw/zinc/60/07/32/1157600732.db2.gz QNLFTKSVUJVJEU-ULQDDVLXSA-N 2 1 321.465 0.805 20 30 DCEDMP C=C(C)C[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691535315 1158317710 /nfs/dbraw/zinc/31/77/10/1158317710.db2.gz FBAUROZNVOMHMH-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691535315 1158317716 /nfs/dbraw/zinc/31/77/16/1158317716.db2.gz FBAUROZNVOMHMH-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691535315 1158317721 /nfs/dbraw/zinc/31/77/21/1158317721.db2.gz FBAUROZNVOMHMH-HOTGVXAUSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC(=O)NC)C(C)C ZINC001691732493 1158965846 /nfs/dbraw/zinc/96/58/46/1158965846.db2.gz IHVMZRULZFWGED-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC(=O)NC)C(C)C ZINC001691732493 1158965857 /nfs/dbraw/zinc/96/58/57/1158965857.db2.gz IHVMZRULZFWGED-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=O)NC)C(C)C ZINC001691732493 1158965862 /nfs/dbraw/zinc/96/58/62/1158965862.db2.gz IHVMZRULZFWGED-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=O)NC)C(C)C ZINC001691732493 1158965867 /nfs/dbraw/zinc/96/58/67/1158965867.db2.gz IHVMZRULZFWGED-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001566532841 1159828793 /nfs/dbraw/zinc/82/87/93/1159828793.db2.gz IXMXPIZAHAAJMR-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001565866278 1159916661 /nfs/dbraw/zinc/91/66/61/1159916661.db2.gz DRHRNTVPRYQIDB-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001566860390 1160170121 /nfs/dbraw/zinc/17/01/21/1160170121.db2.gz YADJUPOYTRPPDA-LJISPDSOSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H](OC)C1CCC1 ZINC001567286358 1160296810 /nfs/dbraw/zinc/29/68/10/1160296810.db2.gz GFEUYDDXNQOQLM-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@H](OC)C1CCC1 ZINC001567286358 1160296815 /nfs/dbraw/zinc/29/68/15/1160296815.db2.gz GFEUYDDXNQOQLM-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H](OC)C1CCC1 ZINC001567286358 1160296820 /nfs/dbraw/zinc/29/68/20/1160296820.db2.gz GFEUYDDXNQOQLM-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H](OC)C1CCC1 ZINC001567286358 1160296829 /nfs/dbraw/zinc/29/68/29/1160296829.db2.gz GFEUYDDXNQOQLM-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP CCC[N@H+](CC#CCOC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001567432009 1160363088 /nfs/dbraw/zinc/36/30/88/1160363088.db2.gz ZSKWZSQRZLLBJF-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@@H]1CCOC1 ZINC001567510482 1160402928 /nfs/dbraw/zinc/40/29/28/1160402928.db2.gz BJECNOXPNWHSJE-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@@H]1CCOC1 ZINC001567510482 1160402929 /nfs/dbraw/zinc/40/29/29/1160402929.db2.gz BJECNOXPNWHSJE-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001568450981 1160648883 /nfs/dbraw/zinc/64/88/83/1160648883.db2.gz GQBUFPWNBOWFGL-KFWWJZLASA-N 2 1 324.469 0.359 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001568646152 1160721867 /nfs/dbraw/zinc/72/18/67/1160721867.db2.gz NNZIAWNTEINGEO-KBPBESRZSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2coc(C)n2)CC1 ZINC001569098801 1160941282 /nfs/dbraw/zinc/94/12/82/1160941282.db2.gz FZZFNPWWIZLMNF-ZDUSSCGKSA-N 2 1 318.421 0.923 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001569897871 1161306572 /nfs/dbraw/zinc/30/65/72/1161306572.db2.gz IAPQXOGQCOSNFC-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001569897871 1161306576 /nfs/dbraw/zinc/30/65/76/1161306576.db2.gz IAPQXOGQCOSNFC-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001569897871 1161306582 /nfs/dbraw/zinc/30/65/82/1161306582.db2.gz IAPQXOGQCOSNFC-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001570187888 1161483138 /nfs/dbraw/zinc/48/31/38/1161483138.db2.gz RQPJDGUAKUSCAB-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001570187888 1161483151 /nfs/dbraw/zinc/48/31/51/1161483151.db2.gz RQPJDGUAKUSCAB-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001570187888 1161483157 /nfs/dbraw/zinc/48/31/57/1161483157.db2.gz RQPJDGUAKUSCAB-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001570187848 1161483973 /nfs/dbraw/zinc/48/39/73/1161483973.db2.gz QGFUKRGELXPSLA-HNNXBMFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001570187848 1161483986 /nfs/dbraw/zinc/48/39/86/1161483986.db2.gz QGFUKRGELXPSLA-HNNXBMFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001570187848 1161484003 /nfs/dbraw/zinc/48/40/03/1161484003.db2.gz QGFUKRGELXPSLA-HNNXBMFYSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001570295491 1161550603 /nfs/dbraw/zinc/55/06/03/1161550603.db2.gz IQIWBQZNTFGKLD-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CC1(CC(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)C[NH2+]C1 ZINC001574879449 1163782463 /nfs/dbraw/zinc/78/24/63/1163782463.db2.gz AILOWYGSMDFCLS-OAHLLOKOSA-N 2 1 307.438 0.865 20 30 DCEDMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)[C@H]2C1 ZINC001646841587 1172560267 /nfs/dbraw/zinc/56/02/67/1172560267.db2.gz QWWNNMIKYVYOSB-NDJKDRJASA-N 2 1 302.422 0.582 20 30 DCEDMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001649976084 1173354293 /nfs/dbraw/zinc/35/42/93/1173354293.db2.gz OGLGPLWBMBFRFR-DGNOSDGRSA-N 2 1 320.437 0.353 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001671251308 1173663041 /nfs/dbraw/zinc/66/30/41/1173663041.db2.gz KCTWGYJTFBKALC-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001656775118 1173880873 /nfs/dbraw/zinc/88/08/73/1173880873.db2.gz JLGSZLDLZJAPSR-HNNXBMFYSA-N 2 1 307.438 0.389 20 30 DCEDMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001657079927 1173906124 /nfs/dbraw/zinc/90/61/24/1173906124.db2.gz WBRVYLGIGCBOIR-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001657079927 1173906129 /nfs/dbraw/zinc/90/61/29/1173906129.db2.gz WBRVYLGIGCBOIR-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001657079927 1173906134 /nfs/dbraw/zinc/90/61/34/1173906134.db2.gz WBRVYLGIGCBOIR-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661016309 1174086390 /nfs/dbraw/zinc/08/63/90/1174086390.db2.gz YTLACLUZPBUNRC-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661016309 1174086400 /nfs/dbraw/zinc/08/64/00/1174086400.db2.gz YTLACLUZPBUNRC-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001662564930 1174217424 /nfs/dbraw/zinc/21/74/24/1174217424.db2.gz WPJHJFKOVRXVAJ-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001664442425 1174433065 /nfs/dbraw/zinc/43/30/65/1174433065.db2.gz LRQBDGDSVIYGMU-RDJZCZTQSA-N 2 1 301.434 0.934 20 30 DCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001664442425 1174433068 /nfs/dbraw/zinc/43/30/68/1174433068.db2.gz LRQBDGDSVIYGMU-RDJZCZTQSA-N 2 1 301.434 0.934 20 30 DCEDMP COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001666501379 1174604909 /nfs/dbraw/zinc/60/49/09/1174604909.db2.gz WOKCIQGAPISNAD-UHFFFAOYSA-N 2 1 321.465 0.902 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001667182616 1174666952 /nfs/dbraw/zinc/66/69/52/1174666952.db2.gz KDPAQGOZNCEQEC-HOCLYGCPSA-N 2 1 318.421 0.668 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001667939948 1174736432 /nfs/dbraw/zinc/73/64/32/1174736432.db2.gz VBFYLNVCYWSHPV-MRXNPFEDSA-N 2 1 303.406 0.208 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001667939948 1174736435 /nfs/dbraw/zinc/73/64/35/1174736435.db2.gz VBFYLNVCYWSHPV-MRXNPFEDSA-N 2 1 303.406 0.208 20 30 DCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001672002873 1175059604 /nfs/dbraw/zinc/05/96/04/1175059604.db2.gz AHZZJCAQDVVOQC-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001672002873 1175059615 /nfs/dbraw/zinc/05/96/15/1175059615.db2.gz AHZZJCAQDVVOQC-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001672002873 1175059619 /nfs/dbraw/zinc/05/96/19/1175059619.db2.gz AHZZJCAQDVVOQC-DOTOQJQBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001672690272 1175144507 /nfs/dbraw/zinc/14/45/07/1175144507.db2.gz JLGXVZRAVRBSRI-JKSUJKDBSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCC)C1 ZINC001673675473 1175222313 /nfs/dbraw/zinc/22/23/13/1175222313.db2.gz AEHMLPCXXGROAC-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCC)C1 ZINC001673675473 1175222315 /nfs/dbraw/zinc/22/23/15/1175222315.db2.gz AEHMLPCXXGROAC-RDJZCZTQSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001673675680 1175222382 /nfs/dbraw/zinc/22/23/82/1175222382.db2.gz FRVMNVWPNDRPCA-RDJZCZTQSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001674310895 1175267852 /nfs/dbraw/zinc/26/78/52/1175267852.db2.gz GVLOLCDIRBUOCO-UHFFFAOYSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675545742 1175370867 /nfs/dbraw/zinc/37/08/67/1175370867.db2.gz RBBMWHUMYFZFQE-VQHPVUNQSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675545742 1175370872 /nfs/dbraw/zinc/37/08/72/1175370872.db2.gz RBBMWHUMYFZFQE-VQHPVUNQSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675545742 1175370873 /nfs/dbraw/zinc/37/08/73/1175370873.db2.gz RBBMWHUMYFZFQE-VQHPVUNQSA-N 2 1 321.465 0.825 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001677441056 1175564853 /nfs/dbraw/zinc/56/48/53/1175564853.db2.gz DXIPIQKFSZBGOH-WLYUNCDWSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001688950411 1176663001 /nfs/dbraw/zinc/66/30/01/1176663001.db2.gz ICGVVKLGLABSKL-APIJFGDWSA-N 2 1 322.453 0.113 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001689793583 1177043470 /nfs/dbraw/zinc/04/34/70/1177043470.db2.gz PIWVQCFMHKXOTR-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001689793583 1177043481 /nfs/dbraw/zinc/04/34/81/1177043481.db2.gz PIWVQCFMHKXOTR-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001689793583 1177043491 /nfs/dbraw/zinc/04/34/91/1177043491.db2.gz PIWVQCFMHKXOTR-GJZGRUSLSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690092087 1177168988 /nfs/dbraw/zinc/16/89/88/1177168988.db2.gz VMHNATLNNVIUBB-HZPDHXFCSA-N 2 1 307.438 0.721 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[N@H+](C)CCC)C2)C1=O ZINC001690255499 1177197258 /nfs/dbraw/zinc/19/72/58/1177197258.db2.gz PPNOQBVUHRQMTM-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001690908493 1177346273 /nfs/dbraw/zinc/34/62/73/1177346273.db2.gz ZGWRMSZCYHSERU-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001692233398 1177452767 /nfs/dbraw/zinc/45/27/67/1177452767.db2.gz KQQLILKLWJZXMA-YESZJQIVSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001692233398 1177452769 /nfs/dbraw/zinc/45/27/69/1177452769.db2.gz KQQLILKLWJZXMA-YESZJQIVSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001692233398 1177452777 /nfs/dbraw/zinc/45/27/77/1177452777.db2.gz KQQLILKLWJZXMA-YESZJQIVSA-N 2 1 321.465 0.635 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001699013805 1177771195 /nfs/dbraw/zinc/77/11/95/1177771195.db2.gz AMWQWMAZRAIJJO-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cnccn1 ZINC001699407259 1178123538 /nfs/dbraw/zinc/12/35/38/1178123538.db2.gz KSIMYQYRSLMQDL-LZWOXQAQSA-N 2 1 315.421 0.730 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cnccn1 ZINC001699407259 1178123540 /nfs/dbraw/zinc/12/35/40/1178123540.db2.gz KSIMYQYRSLMQDL-LZWOXQAQSA-N 2 1 315.421 0.730 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nccnc1C ZINC001699407319 1178123569 /nfs/dbraw/zinc/12/35/69/1178123569.db2.gz NDIWHNURAROUHQ-BBRMVZONSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nccnc1C ZINC001699407319 1178123573 /nfs/dbraw/zinc/12/35/73/1178123573.db2.gz NDIWHNURAROUHQ-BBRMVZONSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCOC(C)C)CC1 ZINC001699643420 1178234600 /nfs/dbraw/zinc/23/46/00/1178234600.db2.gz YIJURTFAFOILHT-QGZVFWFLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CCCC1 ZINC001699802291 1178290870 /nfs/dbraw/zinc/29/08/70/1178290870.db2.gz XTJXYQLGSONGQN-MRXNPFEDSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001699900463 1178350516 /nfs/dbraw/zinc/35/05/16/1178350516.db2.gz GEWKZFJTUQYSOL-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001700236821 1178545643 /nfs/dbraw/zinc/54/56/43/1178545643.db2.gz QWVZKKCFUSBKOI-NVXWUHKLSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001700462751 1178622947 /nfs/dbraw/zinc/62/29/47/1178622947.db2.gz XXVQZBNIYHUZMM-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001700462751 1178622950 /nfs/dbraw/zinc/62/29/50/1178622950.db2.gz XXVQZBNIYHUZMM-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001700462751 1178622952 /nfs/dbraw/zinc/62/29/52/1178622952.db2.gz XXVQZBNIYHUZMM-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001700462751 1178622954 /nfs/dbraw/zinc/62/29/54/1178622954.db2.gz XXVQZBNIYHUZMM-KGLIPLIRSA-N 2 1 322.453 0.045 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001701056852 1178910499 /nfs/dbraw/zinc/91/04/99/1178910499.db2.gz VLCJFVKBLUOLQP-AWEZNQCLSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001701056852 1178910501 /nfs/dbraw/zinc/91/05/01/1178910501.db2.gz VLCJFVKBLUOLQP-AWEZNQCLSA-N 2 1 322.453 0.377 20 30 DCEDMP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC#CCOC ZINC001707052786 1180404008 /nfs/dbraw/zinc/40/40/08/1180404008.db2.gz LMZMTEDJGGEDCS-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC#CCOC ZINC001707052786 1180404010 /nfs/dbraw/zinc/40/40/10/1180404010.db2.gz LMZMTEDJGGEDCS-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001707052786 1180404012 /nfs/dbraw/zinc/40/40/12/1180404012.db2.gz LMZMTEDJGGEDCS-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001707052786 1180404014 /nfs/dbraw/zinc/40/40/14/1180404014.db2.gz LMZMTEDJGGEDCS-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707209393 1180435504 /nfs/dbraw/zinc/43/55/04/1180435504.db2.gz RSJHILDQCVDAAA-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001707209057 1180435789 /nfs/dbraw/zinc/43/57/89/1180435789.db2.gz NZCQISSCDJNPSQ-ULQDDVLXSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001707209057 1180435794 /nfs/dbraw/zinc/43/57/94/1180435794.db2.gz NZCQISSCDJNPSQ-ULQDDVLXSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001707209057 1180435798 /nfs/dbraw/zinc/43/57/98/1180435798.db2.gz NZCQISSCDJNPSQ-ULQDDVLXSA-N 2 1 321.465 0.635 20 30 DCEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001707281376 1180454612 /nfs/dbraw/zinc/45/46/12/1180454612.db2.gz VKMGKDNAIJTWGF-INIZCTEOSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001707281376 1180454613 /nfs/dbraw/zinc/45/46/13/1180454613.db2.gz VKMGKDNAIJTWGF-INIZCTEOSA-N 2 1 309.454 0.942 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713077811 1180669444 /nfs/dbraw/zinc/66/94/44/1180669444.db2.gz TYLWWAFGNIUZMC-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001713401948 1180800954 /nfs/dbraw/zinc/80/09/54/1180800954.db2.gz WLTQSWPXSQGVLX-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001713889114 1181131062 /nfs/dbraw/zinc/13/10/62/1181131062.db2.gz IOMKPAXKOIXNNC-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001713889114 1181131054 /nfs/dbraw/zinc/13/10/54/1181131054.db2.gz IOMKPAXKOIXNNC-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001713889114 1181131055 /nfs/dbraw/zinc/13/10/55/1181131055.db2.gz IOMKPAXKOIXNNC-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001713889114 1181131059 /nfs/dbraw/zinc/13/10/59/1181131059.db2.gz IOMKPAXKOIXNNC-JKSUJKDBSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)NC(C)C ZINC001714083238 1181237388 /nfs/dbraw/zinc/23/73/88/1181237388.db2.gz GCGOLKGMICAULV-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)NC(C)C ZINC001714083238 1181237403 /nfs/dbraw/zinc/23/74/03/1181237403.db2.gz GCGOLKGMICAULV-GJZGRUSLSA-N 2 1 322.453 0.093 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001714151695 1181264519 /nfs/dbraw/zinc/26/45/19/1181264519.db2.gz SBZNYPFFNDNDBG-AWEZNQCLSA-N 2 1 322.453 0.259 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCOC(C)C)CC1 ZINC001714571277 1181421469 /nfs/dbraw/zinc/42/14/69/1181421469.db2.gz BJTUXJWCXFECEL-UHFFFAOYSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001714640930 1181457530 /nfs/dbraw/zinc/45/75/30/1181457530.db2.gz DJQUFLDIEMJDLF-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714640930 1181457536 /nfs/dbraw/zinc/45/75/36/1181457536.db2.gz DJQUFLDIEMJDLF-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714640930 1181457542 /nfs/dbraw/zinc/45/75/42/1181457542.db2.gz DJQUFLDIEMJDLF-JKSUJKDBSA-N 2 1 309.454 0.969 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001714898834 1181594909 /nfs/dbraw/zinc/59/49/09/1181594909.db2.gz YYPGVSKHXGYDLE-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001714898834 1181594915 /nfs/dbraw/zinc/59/49/15/1181594915.db2.gz YYPGVSKHXGYDLE-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001714898834 1181594920 /nfs/dbraw/zinc/59/49/20/1181594920.db2.gz YYPGVSKHXGYDLE-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C ZINC001714945896 1181612531 /nfs/dbraw/zinc/61/25/31/1181612531.db2.gz VGFDDUIXZAQCPZ-INIZCTEOSA-N 2 1 320.437 0.962 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715014033 1181650712 /nfs/dbraw/zinc/65/07/12/1181650712.db2.gz AYLIBHXRSJXMCN-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715014033 1181650714 /nfs/dbraw/zinc/65/07/14/1181650714.db2.gz AYLIBHXRSJXMCN-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001715014033 1181650717 /nfs/dbraw/zinc/65/07/17/1181650717.db2.gz AYLIBHXRSJXMCN-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001715014033 1181650721 /nfs/dbraw/zinc/65/07/21/1181650721.db2.gz AYLIBHXRSJXMCN-HNNXBMFYSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001715124704 1181696477 /nfs/dbraw/zinc/69/64/77/1181696477.db2.gz NFBXCTXXHHMRDE-CXAGYDPISA-N 2 1 322.453 0.115 20 30 DCEDMP C#CC[NH2+]CCN(CC)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001715758346 1181980102 /nfs/dbraw/zinc/98/01/02/1181980102.db2.gz UVIOHJMOGSUWHO-UHFFFAOYSA-N 2 1 304.394 0.955 20 30 DCEDMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001715773555 1181988153 /nfs/dbraw/zinc/98/81/53/1181988153.db2.gz HHCSTBOKDJGUAE-CYBMUJFWSA-N 2 1 303.834 0.898 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001715965619 1182123136 /nfs/dbraw/zinc/12/31/36/1182123136.db2.gz VAMMWLZLTXLZOK-MRXNPFEDSA-N 2 1 317.433 0.863 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001715965619 1182123142 /nfs/dbraw/zinc/12/31/42/1182123142.db2.gz VAMMWLZLTXLZOK-MRXNPFEDSA-N 2 1 317.433 0.863 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001716003491 1182139963 /nfs/dbraw/zinc/13/99/63/1182139963.db2.gz PJCCXTYRBZZNKO-CABCVRRESA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001716003491 1182139966 /nfs/dbraw/zinc/13/99/66/1182139966.db2.gz PJCCXTYRBZZNKO-CABCVRRESA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001716003491 1182139972 /nfs/dbraw/zinc/13/99/72/1182139972.db2.gz PJCCXTYRBZZNKO-CABCVRRESA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001716003491 1182139976 /nfs/dbraw/zinc/13/99/76/1182139976.db2.gz PJCCXTYRBZZNKO-CABCVRRESA-N 2 1 322.453 0.115 20 30 DCEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001716861036 1182552671 /nfs/dbraw/zinc/55/26/71/1182552671.db2.gz VYROPEUUHOBCKC-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001717109822 1182680748 /nfs/dbraw/zinc/68/07/48/1182680748.db2.gz MVXDJYGZAGQYIM-CVEARBPZSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001717157588 1182699900 /nfs/dbraw/zinc/69/99/00/1182699900.db2.gz QPMSFUJONGVVCT-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CCCO)CC1 ZINC001717376324 1182809495 /nfs/dbraw/zinc/80/94/95/1182809495.db2.gz NXFGXRCQOQDSNK-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717471377 1182846210 /nfs/dbraw/zinc/84/62/10/1182846210.db2.gz AQICAYHHOXKDRO-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717471377 1182846219 /nfs/dbraw/zinc/84/62/19/1182846219.db2.gz AQICAYHHOXKDRO-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717471377 1182846225 /nfs/dbraw/zinc/84/62/25/1182846225.db2.gz AQICAYHHOXKDRO-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717471377 1182846234 /nfs/dbraw/zinc/84/62/34/1182846234.db2.gz AQICAYHHOXKDRO-BFHYXJOUSA-N 2 1 310.442 0.065 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001717924302 1183063890 /nfs/dbraw/zinc/06/38/90/1183063890.db2.gz GWXFSCODHRDSMN-HZPDHXFCSA-N 2 1 309.454 0.541 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001724672490 1184509810 /nfs/dbraw/zinc/50/98/10/1184509810.db2.gz TXQSCKQCUOBDCU-CVEARBPZSA-N 2 1 309.454 0.990 20 30 DCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001724672494 1184510026 /nfs/dbraw/zinc/51/00/26/1184510026.db2.gz TXQSCKQCUOBDCU-HZPDHXFCSA-N 2 1 309.454 0.990 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001724842835 1184587043 /nfs/dbraw/zinc/58/70/43/1184587043.db2.gz JITIJFRUQJGKEA-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724842835 1184587050 /nfs/dbraw/zinc/58/70/50/1184587050.db2.gz JITIJFRUQJGKEA-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724842835 1184587056 /nfs/dbraw/zinc/58/70/56/1184587056.db2.gz JITIJFRUQJGKEA-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001725007091 1184653418 /nfs/dbraw/zinc/65/34/18/1184653418.db2.gz HIVHBHIEIOQLTK-MELADBBJSA-N 2 1 310.442 0.256 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725179850 1184711577 /nfs/dbraw/zinc/71/15/77/1184711577.db2.gz STYGVOXCVBNXNI-XHSDSOJGSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725179850 1184711583 /nfs/dbraw/zinc/71/15/83/1184711583.db2.gz STYGVOXCVBNXNI-XHSDSOJGSA-N 2 1 309.454 0.803 20 30 DCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001725179850 1184711588 /nfs/dbraw/zinc/71/15/88/1184711588.db2.gz STYGVOXCVBNXNI-XHSDSOJGSA-N 2 1 309.454 0.803 20 30 DCEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001725427305 1184817606 /nfs/dbraw/zinc/81/76/06/1184817606.db2.gz MWRCAKLHXHCUGL-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCOCC1 ZINC001725493229 1184845990 /nfs/dbraw/zinc/84/59/90/1184845990.db2.gz CCKVQEHFWCCPJK-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCOCC1 ZINC001725493229 1184845997 /nfs/dbraw/zinc/84/59/97/1184845997.db2.gz CCKVQEHFWCCPJK-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725498871 1184848926 /nfs/dbraw/zinc/84/89/26/1184848926.db2.gz VSNAEMASDWYMDR-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725716365 1184964613 /nfs/dbraw/zinc/96/46/13/1184964613.db2.gz XHPAPDMISQDOJE-JKSUJKDBSA-N 2 1 309.454 0.655 20 30 DCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001725769226 1184987659 /nfs/dbraw/zinc/98/76/59/1184987659.db2.gz IRUQTDGEBDKIQA-IAGOWNOFSA-N 2 1 317.433 0.722 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCOCC)C2)CC1 ZINC001732175415 1185721293 /nfs/dbraw/zinc/72/12/93/1185721293.db2.gz HPGAUVOILCTXKR-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@H](C)COC)CC1 ZINC001733066056 1186125190 /nfs/dbraw/zinc/12/51/90/1186125190.db2.gz JWDSRPWQCUZCHF-LSDHHAIUSA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC001733372066 1186244799 /nfs/dbraw/zinc/24/47/99/1186244799.db2.gz YYJQSDRIYUZVOW-MRXNPFEDSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001733491643 1186300322 /nfs/dbraw/zinc/30/03/22/1186300322.db2.gz GRFLZVMUNDAOMF-FUHWJXTLSA-N 2 1 315.417 0.476 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001733491643 1186300331 /nfs/dbraw/zinc/30/03/31/1186300331.db2.gz GRFLZVMUNDAOMF-FUHWJXTLSA-N 2 1 315.417 0.476 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001733495172 1186303448 /nfs/dbraw/zinc/30/34/48/1186303448.db2.gz MPXJEDVYXPGKAS-SFHVURJKSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001733867451 1186481392 /nfs/dbraw/zinc/48/13/92/1186481392.db2.gz KUUXVMZGHXMZFR-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001733869649 1186481456 /nfs/dbraw/zinc/48/14/56/1186481456.db2.gz MHQMBXGTKFBUCQ-UHFFFAOYSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001733900076 1186492923 /nfs/dbraw/zinc/49/29/23/1186492923.db2.gz JPVWBNDQCGISAD-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001734252311 1186593213 /nfs/dbraw/zinc/59/32/13/1186593213.db2.gz GTCZAVZYIOEPJX-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP CC#CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001750936744 1188360305 /nfs/dbraw/zinc/36/03/05/1188360305.db2.gz JROWNOLSJIBRNQ-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001752775356 1188438712 /nfs/dbraw/zinc/43/87/12/1188438712.db2.gz HXQISOZUUJVHQP-XHSDSOJGSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001752973152 1188470135 /nfs/dbraw/zinc/47/01/35/1188470135.db2.gz FWFCLCYMUFPDNI-HZPDHXFCSA-N 2 1 318.421 0.858 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001752997709 1188474204 /nfs/dbraw/zinc/47/42/04/1188474204.db2.gz XUYZPDHLTYCKEG-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001752997709 1188474205 /nfs/dbraw/zinc/47/42/05/1188474205.db2.gz XUYZPDHLTYCKEG-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001752997709 1188474206 /nfs/dbraw/zinc/47/42/06/1188474206.db2.gz XUYZPDHLTYCKEG-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754162529 1188765780 /nfs/dbraw/zinc/76/57/80/1188765780.db2.gz XNYZRWUXJBUGMC-WHJWBVKISA-N 2 1 322.453 0.281 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1snnc1C ZINC001754229710 1188794410 /nfs/dbraw/zinc/79/44/10/1188794410.db2.gz PQNNOPMFUMZTPM-YPMHNXCESA-N 2 1 321.450 0.538 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1snnc1C ZINC001754229710 1188794412 /nfs/dbraw/zinc/79/44/12/1188794412.db2.gz PQNNOPMFUMZTPM-YPMHNXCESA-N 2 1 321.450 0.538 20 30 DCEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001754851334 1188949145 /nfs/dbraw/zinc/94/91/45/1188949145.db2.gz KYXNOVGKBTUCEB-GASCZTMLSA-N 2 1 321.469 0.553 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001754861722 1188954492 /nfs/dbraw/zinc/95/44/92/1188954492.db2.gz NVAGGPJORXOQGO-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001754861722 1188954494 /nfs/dbraw/zinc/95/44/94/1188954494.db2.gz NVAGGPJORXOQGO-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001754861722 1188954497 /nfs/dbraw/zinc/95/44/97/1188954497.db2.gz NVAGGPJORXOQGO-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001755477114 1189123123 /nfs/dbraw/zinc/12/31/23/1189123123.db2.gz JDGVHBSPECTUNZ-KKUMJFAQSA-N 2 1 300.406 0.872 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CC[N@@H+](C)CC ZINC001758949153 1190047793 /nfs/dbraw/zinc/04/77/93/1190047793.db2.gz UJGFJSRXTDCBJN-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CC[N@H+](C)CC ZINC001758949153 1190047801 /nfs/dbraw/zinc/04/78/01/1190047801.db2.gz UJGFJSRXTDCBJN-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CC[NH+](C)CC ZINC001758949153 1190047807 /nfs/dbraw/zinc/04/78/07/1190047807.db2.gz UJGFJSRXTDCBJN-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CC[NH+](C)CC ZINC001758949153 1190047813 /nfs/dbraw/zinc/04/78/13/1190047813.db2.gz UJGFJSRXTDCBJN-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837804 751605848 /nfs/dbraw/zinc/60/58/48/751605848.db2.gz GJBPIPCBIOWUOH-HZMVEIRTSA-N 2 1 312.417 0.994 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089837804 751605856 /nfs/dbraw/zinc/60/58/56/751605856.db2.gz GJBPIPCBIOWUOH-HZMVEIRTSA-N 2 1 312.417 0.994 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009020 751747016 /nfs/dbraw/zinc/74/70/16/751747016.db2.gz HZRHBTAFRGPZBX-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009020 751747020 /nfs/dbraw/zinc/74/70/20/751747020.db2.gz HZRHBTAFRGPZBX-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098536364 747059201 /nfs/dbraw/zinc/05/92/01/747059201.db2.gz HHKOBIZJONWHOT-UHFFFAOYSA-N 2 1 319.449 0.391 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167626707 747436306 /nfs/dbraw/zinc/43/63/06/747436306.db2.gz FWKUOWIVWMYJQR-HNNXBMFYSA-N 2 1 324.469 0.647 20 30 DCEDMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#CCOC)C2 ZINC001111908552 747514821 /nfs/dbraw/zinc/51/48/21/747514821.db2.gz FTJPXBUXXDEMDU-WMZOPIPTSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104582368 747793745 /nfs/dbraw/zinc/79/37/45/747793745.db2.gz XLESPLZHCFOESZ-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104582368 747793754 /nfs/dbraw/zinc/79/37/54/747793754.db2.gz XLESPLZHCFOESZ-ZACQAIPSSA-N 2 1 321.465 0.803 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622475 748999368 /nfs/dbraw/zinc/99/93/68/748999368.db2.gz OJTJGRHLPNIUFB-QKPAOTATSA-N 2 1 307.438 0.698 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622475 748999374 /nfs/dbraw/zinc/99/93/74/748999374.db2.gz OJTJGRHLPNIUFB-QKPAOTATSA-N 2 1 307.438 0.698 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622475 748999380 /nfs/dbraw/zinc/99/93/80/748999380.db2.gz OJTJGRHLPNIUFB-QKPAOTATSA-N 2 1 307.438 0.698 20 30 DCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622475 748999386 /nfs/dbraw/zinc/99/93/86/748999386.db2.gz OJTJGRHLPNIUFB-QKPAOTATSA-N 2 1 307.438 0.698 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203443082 749109198 /nfs/dbraw/zinc/10/91/98/749109198.db2.gz PZHQTAZATWOINK-AWEZNQCLSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208230 749290258 /nfs/dbraw/zinc/29/02/58/749290258.db2.gz REFQQHFFGLBYHE-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208230 749290265 /nfs/dbraw/zinc/29/02/65/749290265.db2.gz REFQQHFFGLBYHE-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208230 749290269 /nfs/dbraw/zinc/29/02/69/749290269.db2.gz REFQQHFFGLBYHE-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208230 749290272 /nfs/dbraw/zinc/29/02/72/749290272.db2.gz REFQQHFFGLBYHE-PMPSAXMXSA-N 2 1 305.422 0.121 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524422 750098183 /nfs/dbraw/zinc/09/81/83/750098183.db2.gz UDQXBLVOFDVMLN-XHSDSOJGSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524422 750098192 /nfs/dbraw/zinc/09/81/92/750098192.db2.gz UDQXBLVOFDVMLN-XHSDSOJGSA-N 2 1 307.438 0.434 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524422 750098202 /nfs/dbraw/zinc/09/82/02/750098202.db2.gz UDQXBLVOFDVMLN-XHSDSOJGSA-N 2 1 307.438 0.434 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563543 750201491 /nfs/dbraw/zinc/20/14/91/750201491.db2.gz UVTBLSLCJJUBFP-CABCVRRESA-N 2 1 305.422 0.047 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563543 750201493 /nfs/dbraw/zinc/20/14/93/750201493.db2.gz UVTBLSLCJJUBFP-CABCVRRESA-N 2 1 305.422 0.047 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767627 751271169 /nfs/dbraw/zinc/27/11/69/751271169.db2.gz KQJCVNWPVLNECZ-HZPDHXFCSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001077981246 752941649 /nfs/dbraw/zinc/94/16/49/752941649.db2.gz FOPCMPXLZPWCPS-BRWVUGGUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077981246 752941652 /nfs/dbraw/zinc/94/16/52/752941652.db2.gz FOPCMPXLZPWCPS-BRWVUGGUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001077981246 752941655 /nfs/dbraw/zinc/94/16/55/752941655.db2.gz FOPCMPXLZPWCPS-BRWVUGGUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001077981246 752941659 /nfs/dbraw/zinc/94/16/59/752941659.db2.gz FOPCMPXLZPWCPS-BRWVUGGUSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)C[C@H]2O)CC1 ZINC001078227270 753121992 /nfs/dbraw/zinc/12/19/92/753121992.db2.gz RQUJLFCMVJTZBL-HZPDHXFCSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045685941 753294077 /nfs/dbraw/zinc/29/40/77/753294077.db2.gz LDNMPGAKXYYMLM-HOTGVXAUSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046011015 753414613 /nfs/dbraw/zinc/41/46/13/753414613.db2.gz YPIOUWUXXPKUGO-HZPDHXFCSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046011015 753414619 /nfs/dbraw/zinc/41/46/19/753414619.db2.gz YPIOUWUXXPKUGO-HZPDHXFCSA-N 2 1 306.454 0.485 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046011015 753414625 /nfs/dbraw/zinc/41/46/25/753414625.db2.gz YPIOUWUXXPKUGO-HZPDHXFCSA-N 2 1 306.454 0.485 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046060927 753454933 /nfs/dbraw/zinc/45/49/33/753454933.db2.gz HZMYMZPIQMNSDY-DLBZAZTESA-N 2 1 320.481 0.424 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077228 753468245 /nfs/dbraw/zinc/46/82/45/753468245.db2.gz SSJRSWUENVDUDW-INIZCTEOSA-N 2 1 318.465 0.487 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)CC1 ZINC001046849548 753979391 /nfs/dbraw/zinc/97/93/91/753979391.db2.gz GTDAMJXJRIOKCO-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047500708 754336987 /nfs/dbraw/zinc/33/69/87/754336987.db2.gz GMPXSJROKVMNAG-VGWMRTNUSA-N 2 1 307.438 0.244 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047500708 754336992 /nfs/dbraw/zinc/33/69/92/754336992.db2.gz GMPXSJROKVMNAG-VGWMRTNUSA-N 2 1 307.438 0.244 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047500708 754336997 /nfs/dbraw/zinc/33/69/97/754336997.db2.gz GMPXSJROKVMNAG-VGWMRTNUSA-N 2 1 307.438 0.244 20 30 DCEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001047566102 754396225 /nfs/dbraw/zinc/39/62/25/754396225.db2.gz WNFPBGWDMMVOIN-IRXDYDNUSA-N 2 1 315.417 0.499 20 30 DCEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001047566102 754396228 /nfs/dbraw/zinc/39/62/28/754396228.db2.gz WNFPBGWDMMVOIN-IRXDYDNUSA-N 2 1 315.417 0.499 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001047638194 754452879 /nfs/dbraw/zinc/45/28/79/754452879.db2.gz GGUOYUUQTFIOMO-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001047638194 754452881 /nfs/dbraw/zinc/45/28/81/754452881.db2.gz GGUOYUUQTFIOMO-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638194 754452883 /nfs/dbraw/zinc/45/28/83/754452883.db2.gz GGUOYUUQTFIOMO-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638194 754452884 /nfs/dbraw/zinc/45/28/84/754452884.db2.gz GGUOYUUQTFIOMO-PMPSAXMXSA-N 2 1 309.454 0.940 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181255 754941672 /nfs/dbraw/zinc/94/16/72/754941672.db2.gz ULLJRZCTFLSNCC-QGZVFWFLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181255 754941677 /nfs/dbraw/zinc/94/16/77/754941677.db2.gz ULLJRZCTFLSNCC-QGZVFWFLSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943435 755032656 /nfs/dbraw/zinc/03/26/56/755032656.db2.gz DEBGMYFBZBITHR-SYGRHNPNSA-N 2 1 317.433 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943435 755032660 /nfs/dbraw/zinc/03/26/60/755032660.db2.gz DEBGMYFBZBITHR-SYGRHNPNSA-N 2 1 317.433 0.426 20 30 DCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943435 755032666 /nfs/dbraw/zinc/03/26/66/755032666.db2.gz DEBGMYFBZBITHR-SYGRHNPNSA-N 2 1 317.433 0.426 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049013881 755074983 /nfs/dbraw/zinc/07/49/83/755074983.db2.gz VBYKKPWEZJEHOC-OAGGEKHMSA-N 2 1 312.417 0.777 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049013881 755074988 /nfs/dbraw/zinc/07/49/88/755074988.db2.gz VBYKKPWEZJEHOC-OAGGEKHMSA-N 2 1 312.417 0.777 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222921 755190412 /nfs/dbraw/zinc/19/04/12/755190412.db2.gz ZJRWCITYVBXXIT-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222921 755190417 /nfs/dbraw/zinc/19/04/17/755190417.db2.gz ZJRWCITYVBXXIT-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222921 755190419 /nfs/dbraw/zinc/19/04/19/755190419.db2.gz ZJRWCITYVBXXIT-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222921 755190422 /nfs/dbraw/zinc/19/04/22/755190422.db2.gz ZJRWCITYVBXXIT-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549831 755311084 /nfs/dbraw/zinc/31/10/84/755311084.db2.gz RXYYVNAHGUGWDP-YYIAUSFCSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549831 755311089 /nfs/dbraw/zinc/31/10/89/755311089.db2.gz RXYYVNAHGUGWDP-YYIAUSFCSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549831 755311092 /nfs/dbraw/zinc/31/10/92/755311092.db2.gz RXYYVNAHGUGWDP-YYIAUSFCSA-N 2 1 319.449 0.794 20 30 DCEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549831 755311096 /nfs/dbraw/zinc/31/10/96/755311096.db2.gz RXYYVNAHGUGWDP-YYIAUSFCSA-N 2 1 319.449 0.794 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074308 755688021 /nfs/dbraw/zinc/68/80/21/755688021.db2.gz ZSPFVQKDEONYTO-QGZVFWFLSA-N 2 1 320.481 0.733 20 30 DCEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074308 755688025 /nfs/dbraw/zinc/68/80/25/755688025.db2.gz ZSPFVQKDEONYTO-QGZVFWFLSA-N 2 1 320.481 0.733 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097707992 755713492 /nfs/dbraw/zinc/71/34/92/755713492.db2.gz STBOVVMVLSFGED-NCOADZHNSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097707992 755713496 /nfs/dbraw/zinc/71/34/96/755713496.db2.gz STBOVVMVLSFGED-NCOADZHNSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097707992 755713501 /nfs/dbraw/zinc/71/35/01/755713501.db2.gz STBOVVMVLSFGED-NCOADZHNSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097707992 755713504 /nfs/dbraw/zinc/71/35/04/755713504.db2.gz STBOVVMVLSFGED-NCOADZHNSA-N 2 1 319.449 0.840 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593247 756249261 /nfs/dbraw/zinc/24/92/61/756249261.db2.gz QNAKLZXCRTZRGM-UKRRQHHQSA-N 2 1 303.410 0.128 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054007233 756328783 /nfs/dbraw/zinc/32/87/83/756328783.db2.gz BHQJMRRPQIWHOV-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054007233 756328788 /nfs/dbraw/zinc/32/87/88/756328788.db2.gz BHQJMRRPQIWHOV-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050174451 757453937 /nfs/dbraw/zinc/45/39/37/757453937.db2.gz XYEPVKMHVXCKAB-DOTOQJQBSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083080350 757479373 /nfs/dbraw/zinc/47/93/73/757479373.db2.gz NZTZHQPMXISWEQ-IXDOHACOSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083080350 757479377 /nfs/dbraw/zinc/47/93/77/757479377.db2.gz NZTZHQPMXISWEQ-IXDOHACOSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080350 757479381 /nfs/dbraw/zinc/47/93/81/757479381.db2.gz NZTZHQPMXISWEQ-IXDOHACOSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080350 757479385 /nfs/dbraw/zinc/47/93/85/757479385.db2.gz NZTZHQPMXISWEQ-IXDOHACOSA-N 2 1 319.449 0.794 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001084722193 757986036 /nfs/dbraw/zinc/98/60/36/757986036.db2.gz CWSRGAAXHKFMHY-HZPDHXFCSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722193 757986042 /nfs/dbraw/zinc/98/60/42/757986042.db2.gz CWSRGAAXHKFMHY-HZPDHXFCSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745155 758009252 /nfs/dbraw/zinc/00/92/52/758009252.db2.gz KSZDOAMOQXUVTJ-GDBMZVCRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745155 758009261 /nfs/dbraw/zinc/00/92/61/758009261.db2.gz KSZDOAMOQXUVTJ-GDBMZVCRSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941403 758131474 /nfs/dbraw/zinc/13/14/74/758131474.db2.gz HEWXAXRMLXTKAM-IKGGRYGDSA-N 2 1 301.434 0.884 20 30 DCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098372087 762657189 /nfs/dbraw/zinc/65/71/89/762657189.db2.gz SFEPKMXEDKIBTP-NVXWUHKLSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098372087 762657196 /nfs/dbraw/zinc/65/71/96/762657196.db2.gz SFEPKMXEDKIBTP-NVXWUHKLSA-N 2 1 321.465 0.635 20 30 DCEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098372087 762657200 /nfs/dbraw/zinc/65/72/00/762657200.db2.gz SFEPKMXEDKIBTP-NVXWUHKLSA-N 2 1 321.465 0.635 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279684 758796801 /nfs/dbraw/zinc/79/68/01/758796801.db2.gz XNRRSDQTDPWTLJ-YLADIXGZSA-N 2 1 317.433 0.500 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731917 759246860 /nfs/dbraw/zinc/24/68/60/759246860.db2.gz NIJPEQOKZAEPTJ-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731917 759246870 /nfs/dbraw/zinc/24/68/70/759246870.db2.gz NIJPEQOKZAEPTJ-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731917 759246880 /nfs/dbraw/zinc/24/68/80/759246880.db2.gz NIJPEQOKZAEPTJ-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731917 759246886 /nfs/dbraw/zinc/24/68/86/759246886.db2.gz NIJPEQOKZAEPTJ-BNQMIIOLSA-N 2 1 317.433 0.406 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001108215853 759405621 /nfs/dbraw/zinc/40/56/21/759405621.db2.gz LLOAGKBIZPBXCG-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108215853 759405628 /nfs/dbraw/zinc/40/56/28/759405628.db2.gz LLOAGKBIZPBXCG-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215853 759405634 /nfs/dbraw/zinc/40/56/34/759405634.db2.gz LLOAGKBIZPBXCG-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215853 759405640 /nfs/dbraw/zinc/40/56/40/759405640.db2.gz LLOAGKBIZPBXCG-DOTOQJQBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@H](C)O)CC1 ZINC001085987025 759547226 /nfs/dbraw/zinc/54/72/26/759547226.db2.gz RPUOSKSXTVIYEI-HOCLYGCPSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001098418681 759906060 /nfs/dbraw/zinc/90/60/60/759906060.db2.gz AQTSCJOIEARKGB-UHFFFAOYSA-N 2 1 319.449 0.533 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275339 761160613 /nfs/dbraw/zinc/16/06/13/761160613.db2.gz HEFNCORMRHPIKM-ZNMIVQPWSA-N 2 1 318.425 0.147 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148755027 768035919 /nfs/dbraw/zinc/03/59/19/768035919.db2.gz OFZLXFJBVFGCCZ-UHFFFAOYSA-N 2 1 305.422 0.266 20 30 DCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090434816 761665910 /nfs/dbraw/zinc/66/59/10/761665910.db2.gz BRYWFOZGHFEOGH-CVEARBPZSA-N 2 1 312.373 0.523 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090434816 761665915 /nfs/dbraw/zinc/66/59/15/761665915.db2.gz BRYWFOZGHFEOGH-CVEARBPZSA-N 2 1 312.373 0.523 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001071175823 761684671 /nfs/dbraw/zinc/68/46/71/761684671.db2.gz LRGRSLKESKWJSK-MAUKXSAKSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071175823 761684675 /nfs/dbraw/zinc/68/46/75/761684675.db2.gz LRGRSLKESKWJSK-MAUKXSAKSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071175823 761684678 /nfs/dbraw/zinc/68/46/78/761684678.db2.gz LRGRSLKESKWJSK-MAUKXSAKSA-N 2 1 319.449 0.796 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241561 761733271 /nfs/dbraw/zinc/73/32/71/761733271.db2.gz WTSNZTNMXWBJEX-DOTOQJQBSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547529 762896787 /nfs/dbraw/zinc/89/67/87/762896787.db2.gz HEFUJMCHLYPXTR-HZMVEIRTSA-N 2 1 319.449 0.367 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856199 763025674 /nfs/dbraw/zinc/02/56/74/763025674.db2.gz OGBJCLWUJQNZFL-KBPBESRZSA-N 2 1 310.442 0.257 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100034685 763238547 /nfs/dbraw/zinc/23/85/47/763238547.db2.gz TZHYIJOPSKHASM-JKSUJKDBSA-N 2 1 318.421 0.546 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100034685 763238555 /nfs/dbraw/zinc/23/85/55/763238555.db2.gz TZHYIJOPSKHASM-JKSUJKDBSA-N 2 1 318.421 0.546 20 30 DCEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131379442 763788917 /nfs/dbraw/zinc/78/89/17/763788917.db2.gz ZWIPNTPJZCGZNI-UHFFFAOYSA-N 2 1 322.453 0.002 20 30 DCEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131379442 763788922 /nfs/dbraw/zinc/78/89/22/763788922.db2.gz ZWIPNTPJZCGZNI-UHFFFAOYSA-N 2 1 322.453 0.002 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100899925 763847174 /nfs/dbraw/zinc/84/71/74/763847174.db2.gz ICKJPILXZKGQKA-UHFFFAOYSA-N 2 1 310.442 0.115 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131682654 763935242 /nfs/dbraw/zinc/93/52/42/763935242.db2.gz RHLQAZTVWURTHF-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131697621 763957243 /nfs/dbraw/zinc/95/72/43/763957243.db2.gz OBVLGQLLBVWLLX-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131697621 763957247 /nfs/dbraw/zinc/95/72/47/763957247.db2.gz OBVLGQLLBVWLLX-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131697621 763957257 /nfs/dbraw/zinc/95/72/57/763957257.db2.gz OBVLGQLLBVWLLX-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132266726 764344877 /nfs/dbraw/zinc/34/48/77/764344877.db2.gz ZEEULSRPLRGRMC-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132266726 764344881 /nfs/dbraw/zinc/34/48/81/764344881.db2.gz ZEEULSRPLRGRMC-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001098479187 764492367 /nfs/dbraw/zinc/49/23/67/764492367.db2.gz WJCXFEBDNZIAEL-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098479187 764492376 /nfs/dbraw/zinc/49/23/76/764492376.db2.gz WJCXFEBDNZIAEL-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098479187 764492380 /nfs/dbraw/zinc/49/23/80/764492380.db2.gz WJCXFEBDNZIAEL-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048437 764508973 /nfs/dbraw/zinc/50/89/73/764508973.db2.gz BKSXFTRNUGNAHS-DJIMGWMZSA-N 2 1 321.465 0.661 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514286 764675028 /nfs/dbraw/zinc/67/50/28/764675028.db2.gz SPIOHHIAOXAVIY-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514286 764675031 /nfs/dbraw/zinc/67/50/31/764675031.db2.gz SPIOHHIAOXAVIY-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514286 764675034 /nfs/dbraw/zinc/67/50/34/764675034.db2.gz SPIOHHIAOXAVIY-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581072 764711198 /nfs/dbraw/zinc/71/11/98/764711198.db2.gz YGEGLYRKHYXLAA-BRWVUGGUSA-N 2 1 321.465 0.662 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133870597 765184952 /nfs/dbraw/zinc/18/49/52/765184952.db2.gz UUDVVBDASLFBNI-GJZGRUSLSA-N 2 1 324.469 0.315 20 30 DCEDMP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134613099 765589525 /nfs/dbraw/zinc/58/95/25/765589525.db2.gz SDAGUAJJMXNRSQ-HUUCEWRRSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773650 765666611 /nfs/dbraw/zinc/66/66/11/765666611.db2.gz PVLWOINRIGVCTG-ZIAGYGMSSA-N 2 1 324.469 0.339 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090523432 765983316 /nfs/dbraw/zinc/98/33/16/765983316.db2.gz QNECRLUEHCBCGO-UONOGXRCSA-N 2 1 307.394 0.692 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086785026 766118981 /nfs/dbraw/zinc/11/89/81/766118981.db2.gz GJTBEBCBONFALZ-XHSDSOJGSA-N 2 1 307.438 0.603 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090672934 766455775 /nfs/dbraw/zinc/45/57/75/766455775.db2.gz HJRRHSUQXMMERJ-HOTGVXAUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691725 766480011 /nfs/dbraw/zinc/48/00/11/766480011.db2.gz ICKVVIQPDMAZQR-HZPDHXFCSA-N 2 1 309.454 0.844 20 30 DCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731827 766528066 /nfs/dbraw/zinc/52/80/66/766528066.db2.gz WYKMWYUQUFGUCG-CABCVRRESA-N 2 1 307.438 0.600 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCOC ZINC001171306835 767756263 /nfs/dbraw/zinc/75/62/63/767756263.db2.gz BYFKZMVZYUIEHI-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCOC ZINC001171306835 767756268 /nfs/dbraw/zinc/75/62/68/767756268.db2.gz BYFKZMVZYUIEHI-CVEARBPZSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384925 769040097 /nfs/dbraw/zinc/04/00/97/769040097.db2.gz RDFOYRCJZXGGSH-ZMSDIMECSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384925 769040109 /nfs/dbraw/zinc/04/01/09/769040109.db2.gz RDFOYRCJZXGGSH-ZMSDIMECSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384925 769040119 /nfs/dbraw/zinc/04/01/19/769040119.db2.gz RDFOYRCJZXGGSH-ZMSDIMECSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384925 769040131 /nfs/dbraw/zinc/04/01/31/769040131.db2.gz RDFOYRCJZXGGSH-ZMSDIMECSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174889598 769810635 /nfs/dbraw/zinc/81/06/35/769810635.db2.gz JYFCZJFXQZJNLC-CVEARBPZSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174889598 769810649 /nfs/dbraw/zinc/81/06/49/769810649.db2.gz JYFCZJFXQZJNLC-CVEARBPZSA-N 2 1 309.454 0.993 20 30 DCEDMP N#Cc1c[nH]c2nc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)ncc12 ZINC001155375986 770481964 /nfs/dbraw/zinc/48/19/64/770481964.db2.gz KCYAINKNIRERQU-CYBMUJFWSA-N 2 1 311.393 0.689 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150777771 770653716 /nfs/dbraw/zinc/65/37/16/770653716.db2.gz GRTZBTQTBSQLJB-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150777771 770653720 /nfs/dbraw/zinc/65/37/20/770653720.db2.gz GRTZBTQTBSQLJB-MRXNPFEDSA-N 2 1 307.438 0.703 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179852176 771023631 /nfs/dbraw/zinc/02/36/31/771023631.db2.gz CCHFJGAFHDXWTP-ILXRZTDVSA-N 2 1 324.469 0.598 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009144 771217444 /nfs/dbraw/zinc/21/74/44/771217444.db2.gz PZUSBZWKMBOMJU-BFYDXBDKSA-N 2 1 307.438 0.415 20 30 DCEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009144 771217448 /nfs/dbraw/zinc/21/74/48/771217448.db2.gz PZUSBZWKMBOMJU-BFYDXBDKSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249212 771628426 /nfs/dbraw/zinc/62/84/26/771628426.db2.gz DFINZUMMTHKDKM-CABCVRRESA-N 2 1 303.410 0.027 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183773592 771699434 /nfs/dbraw/zinc/69/94/34/771699434.db2.gz QIRZOGANRWHZFB-CYBMUJFWSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380294 771766087 /nfs/dbraw/zinc/76/60/87/771766087.db2.gz PABAHKHPWUKGJI-MGPQQGTHSA-N 2 1 310.442 0.113 20 30 DCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159877246 771971600 /nfs/dbraw/zinc/97/16/00/771971600.db2.gz ORIIFQMBSLKTAH-HNNXBMFYSA-N 2 1 307.442 0.875 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC[C@H]1CCOC1 ZINC001160209289 772008716 /nfs/dbraw/zinc/00/87/16/772008716.db2.gz GSNOYLUEMNVCRN-IRXDYDNUSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC[C@H]1CCOC1 ZINC001160209289 772008726 /nfs/dbraw/zinc/00/87/26/772008726.db2.gz GSNOYLUEMNVCRN-IRXDYDNUSA-N 2 1 321.465 0.997 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](OC)C1CCC1 ZINC001160209575 772009049 /nfs/dbraw/zinc/00/90/49/772009049.db2.gz RCMOGOHHPZADLG-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](OC)C1CCC1 ZINC001160209575 772009051 /nfs/dbraw/zinc/00/90/51/772009051.db2.gz RCMOGOHHPZADLG-DLBZAZTESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCOCCOCCNc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001160674078 772092223 /nfs/dbraw/zinc/09/22/23/772092223.db2.gz ZKSZEYWLBFPLJZ-UHFFFAOYSA-N 2 1 319.409 0.482 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)(COC)CC1 ZINC001162481603 772378892 /nfs/dbraw/zinc/37/88/92/772378892.db2.gz BMMBTAHICXFMRA-INIZCTEOSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162603963 772396423 /nfs/dbraw/zinc/39/64/23/772396423.db2.gz FEOMNYXJUYICDE-OAHLLOKOSA-N 2 1 307.438 0.416 20 30 DCEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162604121 772396464 /nfs/dbraw/zinc/39/64/64/772396464.db2.gz HVEBVUUXGMQVLZ-OAHLLOKOSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181528 772432546 /nfs/dbraw/zinc/43/25/46/772432546.db2.gz ALYLKHCUSRXEMJ-IXDOHACOSA-N 2 1 319.449 0.653 20 30 DCEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163939737 772596066 /nfs/dbraw/zinc/59/60/66/772596066.db2.gz FPLVKUNFEDUXNX-ZDUSSCGKSA-N 2 1 315.845 0.946 20 30 DCEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939737 772596069 /nfs/dbraw/zinc/59/60/69/772596069.db2.gz FPLVKUNFEDUXNX-ZDUSSCGKSA-N 2 1 315.845 0.946 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237994 772609217 /nfs/dbraw/zinc/60/92/17/772609217.db2.gz GXWPAETYMXCMFG-BZUAXINKSA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237994 772609219 /nfs/dbraw/zinc/60/92/19/772609219.db2.gz GXWPAETYMXCMFG-BZUAXINKSA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237994 772609220 /nfs/dbraw/zinc/60/92/20/772609220.db2.gz GXWPAETYMXCMFG-BZUAXINKSA-N 2 1 307.438 0.509 20 30 DCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536499 772675416 /nfs/dbraw/zinc/67/54/16/772675416.db2.gz SRTPQZUVYUGODQ-OAHLLOKOSA-N 2 1 313.442 0.394 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190946342 772696407 /nfs/dbraw/zinc/69/64/07/772696407.db2.gz JFANVBBCCNQYEY-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001190946342 772696408 /nfs/dbraw/zinc/69/64/08/772696408.db2.gz JFANVBBCCNQYEY-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191966682 772854112 /nfs/dbraw/zinc/85/41/12/772854112.db2.gz AIHADDOKRZJILX-ULQDDVLXSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192425360 772916192 /nfs/dbraw/zinc/91/61/92/772916192.db2.gz GCACMCZMIVBOHQ-JKSUJKDBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001205345771 772988194 /nfs/dbraw/zinc/98/81/94/772988194.db2.gz YAHLPDZSSYFVHY-DLBZAZTESA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193026543 772997751 /nfs/dbraw/zinc/99/77/51/772997751.db2.gz KWPPIFKDVCWRJC-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C[C@H](C#N)S(=O)(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001193138608 773016316 /nfs/dbraw/zinc/01/63/16/773016316.db2.gz QBKDDTSXAZMSAA-CYBMUJFWSA-N 2 1 314.455 0.188 20 30 DCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193500262 773069749 /nfs/dbraw/zinc/06/97/49/773069749.db2.gz REHXVKKZRDOHRZ-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193455978 773072122 /nfs/dbraw/zinc/07/21/22/773072122.db2.gz JPIQJKVZFAYQLH-RBSFLKMASA-N 2 1 315.433 0.794 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207733924 773287615 /nfs/dbraw/zinc/28/76/15/773287615.db2.gz BBDYSNHQEHFEPO-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207733924 773287619 /nfs/dbraw/zinc/28/76/19/773287619.db2.gz BBDYSNHQEHFEPO-CABCVRRESA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210482006 773710954 /nfs/dbraw/zinc/71/09/54/773710954.db2.gz JAKYZBWECQVARP-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046415 773763065 /nfs/dbraw/zinc/76/30/65/773763065.db2.gz OLRIQXSISCXUOV-BZUAXINKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046416 773763108 /nfs/dbraw/zinc/76/31/08/773763108.db2.gz OLRIQXSISCXUOV-OWCLPIDISA-N 2 1 309.454 0.967 20 30 DCEDMP COCC#CCN1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001197817666 773811776 /nfs/dbraw/zinc/81/17/76/773811776.db2.gz OWVRCLKAECFWMK-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001197817666 773811780 /nfs/dbraw/zinc/81/17/80/773811780.db2.gz OWVRCLKAECFWMK-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001197817666 773811784 /nfs/dbraw/zinc/81/17/84/773811784.db2.gz OWVRCLKAECFWMK-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001197817666 773811787 /nfs/dbraw/zinc/81/17/87/773811787.db2.gz OWVRCLKAECFWMK-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP COCC#CC[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001197817666 773811792 /nfs/dbraw/zinc/81/17/92/773811792.db2.gz OWVRCLKAECFWMK-MRXNPFEDSA-N 2 1 307.438 0.512 20 30 DCEDMP N#Cc1ncc(NC(=O)C[NH2+]CCC[NH3+])cc1C(F)(F)F ZINC001218658921 774274772 /nfs/dbraw/zinc/27/47/72/774274772.db2.gz LYKJDJZBWNMNMG-UHFFFAOYSA-N 2 1 301.272 0.849 20 30 DCEDMP C#CCC[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001201386085 774504417 /nfs/dbraw/zinc/50/44/17/774504417.db2.gz ODKYNBZJYIECRE-UHFFFAOYSA-N 2 1 304.394 0.954 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202069067 774597572 /nfs/dbraw/zinc/59/75/72/774597572.db2.gz KZRXWPAGMCAESH-HNNXBMFYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910695 774644321 /nfs/dbraw/zinc/64/43/21/774644321.db2.gz ORXCXFBPQXUQHO-CVEARBPZSA-N 2 1 318.421 0.645 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114412095 774848950 /nfs/dbraw/zinc/84/89/50/774848950.db2.gz QBBCMGJESNNLCA-QLPKVWCKSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114412095 774848959 /nfs/dbraw/zinc/84/89/59/774848959.db2.gz QBBCMGJESNNLCA-QLPKVWCKSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114412095 774848972 /nfs/dbraw/zinc/84/89/72/774848972.db2.gz QBBCMGJESNNLCA-QLPKVWCKSA-N 2 1 305.422 0.167 20 30 DCEDMP N#Cc1ccc2nc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)cn2c1 ZINC001222511384 775373668 /nfs/dbraw/zinc/37/36/68/775373668.db2.gz WXSFQHABTNFKGC-HOTGVXAUSA-N 2 1 310.405 0.732 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC#CCOC)CC1 ZINC001225087832 775641086 /nfs/dbraw/zinc/64/10/86/775641086.db2.gz NDPJLQYGZDTBFV-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH+]1CCC(NC(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001227797951 776009727 /nfs/dbraw/zinc/00/97/27/776009727.db2.gz PJKMNIBZVAKEBQ-HNNXBMFYSA-N 2 1 303.410 0.027 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001114851231 776254553 /nfs/dbraw/zinc/25/45/53/776254553.db2.gz ADVBENZBIGXVNJ-LISAXSMJSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCO)C3)C2)CC1 ZINC001041845071 777537440 /nfs/dbraw/zinc/53/74/40/777537440.db2.gz SGHDEDFTODOXLR-GOSISDBHSA-N 2 1 319.449 0.248 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCOC)CC1 ZINC001278200663 945178429 /nfs/dbraw/zinc/17/84/29/945178429.db2.gz PYFZTKQYVJPROI-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C=CCOCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317811583 945193757 /nfs/dbraw/zinc/19/37/57/945193757.db2.gz OVGSLNUZBQJFJQ-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317811583 945193762 /nfs/dbraw/zinc/19/37/62/945193762.db2.gz OVGSLNUZBQJFJQ-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317811583 945193763 /nfs/dbraw/zinc/19/37/63/945193763.db2.gz OVGSLNUZBQJFJQ-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001273031353 945209130 /nfs/dbraw/zinc/20/91/30/945209130.db2.gz VUXNLHLMKDCZCX-QGZVFWFLSA-N 2 1 305.422 0.170 20 30 DCEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001266281778 939044783 /nfs/dbraw/zinc/04/47/83/939044783.db2.gz ZZNHLLZNJDSYGP-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001266281778 939044785 /nfs/dbraw/zinc/04/47/85/939044785.db2.gz ZZNHLLZNJDSYGP-MRXNPFEDSA-N 2 1 324.469 0.017 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267110762 939347650 /nfs/dbraw/zinc/34/76/50/939347650.db2.gz ICHSJSGPNMVIIT-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001267217243 939391938 /nfs/dbraw/zinc/39/19/38/939391938.db2.gz BVBGSEKSUZQWEP-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001267217243 939391943 /nfs/dbraw/zinc/39/19/43/939391943.db2.gz BVBGSEKSUZQWEP-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001267246173 939401811 /nfs/dbraw/zinc/40/18/11/939401811.db2.gz SCWGBACTHQYQCI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001267246173 939401814 /nfs/dbraw/zinc/40/18/14/939401814.db2.gz SCWGBACTHQYQCI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267246173 939401816 /nfs/dbraw/zinc/40/18/16/939401816.db2.gz SCWGBACTHQYQCI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267246173 939401819 /nfs/dbraw/zinc/40/18/19/939401819.db2.gz SCWGBACTHQYQCI-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001267256252 939405031 /nfs/dbraw/zinc/40/50/31/939405031.db2.gz OSWNLFYCMYFCHF-HNNXBMFYSA-N 2 1 322.453 0.307 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001267279989 939413576 /nfs/dbraw/zinc/41/35/76/939413576.db2.gz PNDGAPYJCKNGHS-OAHLLOKOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267303607 939420314 /nfs/dbraw/zinc/42/03/14/939420314.db2.gz PQPKOGUTIIMQEW-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267303607 939420315 /nfs/dbraw/zinc/42/03/15/939420315.db2.gz PQPKOGUTIIMQEW-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267303607 939420317 /nfs/dbraw/zinc/42/03/17/939420317.db2.gz PQPKOGUTIIMQEW-HOTGVXAUSA-N 2 1 307.438 0.416 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267569291 939504212 /nfs/dbraw/zinc/50/42/12/939504212.db2.gz SBTLVOHKVIYFGY-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001481120847 939572434 /nfs/dbraw/zinc/57/24/34/939572434.db2.gz MUBSODYPMIDSBY-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001481120847 939572437 /nfs/dbraw/zinc/57/24/37/939572437.db2.gz MUBSODYPMIDSBY-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001481120847 939572439 /nfs/dbraw/zinc/57/24/39/939572439.db2.gz MUBSODYPMIDSBY-INIZCTEOSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCOCC)C2)CC1 ZINC001481125064 939574103 /nfs/dbraw/zinc/57/41/03/939574103.db2.gz AOXNENGCNATJJY-MRXNPFEDSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001481461801 939875526 /nfs/dbraw/zinc/87/55/26/939875526.db2.gz IXOMVWBTCWZCCQ-HZPDHXFCSA-N 2 1 321.465 0.541 20 30 DCEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001481469709 939884120 /nfs/dbraw/zinc/88/41/20/939884120.db2.gz YBIBJMSDURPUTD-IAGOWNOFSA-N 2 1 322.497 0.979 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001481508109 939907114 /nfs/dbraw/zinc/90/71/14/939907114.db2.gz IGFAFBPZLAKONT-MRXNPFEDSA-N 2 1 301.434 0.745 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268321346 940057100 /nfs/dbraw/zinc/05/71/00/940057100.db2.gz MOSMTUQYQRLZCE-XJKSGUPXSA-N 2 1 313.417 0.289 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481727620 940090384 /nfs/dbraw/zinc/09/03/84/940090384.db2.gz JPUAMRZHFVKUSG-BZUAXINKSA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481727620 940090391 /nfs/dbraw/zinc/09/03/91/940090391.db2.gz JPUAMRZHFVKUSG-BZUAXINKSA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481727620 940090393 /nfs/dbraw/zinc/09/03/93/940090393.db2.gz JPUAMRZHFVKUSG-BZUAXINKSA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481727620 940090396 /nfs/dbraw/zinc/09/03/96/940090396.db2.gz JPUAMRZHFVKUSG-BZUAXINKSA-N 2 1 307.438 0.509 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001496646559 940162109 /nfs/dbraw/zinc/16/21/09/940162109.db2.gz YQVHXAVURBNVBW-OAHLLOKOSA-N 2 1 306.410 0.572 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001246005528 945311674 /nfs/dbraw/zinc/31/16/74/945311674.db2.gz YRQYKIRUFHQTAU-KBPBESRZSA-N 3 1 315.458 0.552 20 30 DCEDMP COCC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268790471 940362221 /nfs/dbraw/zinc/36/22/21/940362221.db2.gz GBDORDMFOGMUFZ-INIZCTEOSA-N 2 1 309.454 0.947 20 30 DCEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001269775928 940774526 /nfs/dbraw/zinc/77/45/26/940774526.db2.gz ARUMXLSUWYOKBA-QGZVFWFLSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCO)C1CCCCC1 ZINC001482405782 941211985 /nfs/dbraw/zinc/21/19/85/941211985.db2.gz IFCSAJLPYQSMBA-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCO)C1CCCCC1 ZINC001482405782 941211987 /nfs/dbraw/zinc/21/19/87/941211987.db2.gz IFCSAJLPYQSMBA-SJORKVTESA-N 2 1 321.465 0.731 20 30 DCEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001271932233 941483653 /nfs/dbraw/zinc/48/36/53/941483653.db2.gz OEHSJKVKKBMWEF-QGZVFWFLSA-N 2 1 320.481 0.664 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001271984114 941500064 /nfs/dbraw/zinc/50/00/64/941500064.db2.gz YJRGELXPYAPVBR-XYJFISCASA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001271984114 941500068 /nfs/dbraw/zinc/50/00/68/941500068.db2.gz YJRGELXPYAPVBR-XYJFISCASA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001271984114 941500072 /nfs/dbraw/zinc/50/00/72/941500072.db2.gz YJRGELXPYAPVBR-XYJFISCASA-N 2 1 321.465 0.683 20 30 DCEDMP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001271984114 941500074 /nfs/dbraw/zinc/50/00/74/941500074.db2.gz YJRGELXPYAPVBR-XYJFISCASA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001482944755 941721995 /nfs/dbraw/zinc/72/19/95/941721995.db2.gz NQGMQVUKQQXUMF-AWEZNQCLSA-N 2 1 310.442 0.211 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001272196123 941793601 /nfs/dbraw/zinc/79/36/01/941793601.db2.gz JDZGIDCQWVHLQO-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001483257568 942212449 /nfs/dbraw/zinc/21/24/49/942212449.db2.gz FARNXHXUONKHSO-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001483941866 943040680 /nfs/dbraw/zinc/04/06/80/943040680.db2.gz GMNMGRCKGILDTL-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484445817 943400288 /nfs/dbraw/zinc/40/02/88/943400288.db2.gz KIYVUPRTPBWPKL-GOSISDBHSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484445817 943400291 /nfs/dbraw/zinc/40/02/91/943400291.db2.gz KIYVUPRTPBWPKL-GOSISDBHSA-N 2 1 321.465 0.685 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001485078052 943683762 /nfs/dbraw/zinc/68/37/62/943683762.db2.gz RZBYJLJKZMCZOZ-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001485078052 943683766 /nfs/dbraw/zinc/68/37/66/943683766.db2.gz RZBYJLJKZMCZOZ-LSDHHAIUSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001272735512 944169820 /nfs/dbraw/zinc/16/98/20/944169820.db2.gz WAGDRMLSYOWCRV-ULQDDVLXSA-N 2 1 301.434 0.982 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001272735512 944169822 /nfs/dbraw/zinc/16/98/22/944169822.db2.gz WAGDRMLSYOWCRV-ULQDDVLXSA-N 2 1 301.434 0.982 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2cnc[nH]2)C1 ZINC001486114998 944573465 /nfs/dbraw/zinc/57/34/65/944573465.db2.gz PUCRKWHVUXBZIE-OCCSQVGLSA-N 2 1 319.409 0.224 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001277087909 944656443 /nfs/dbraw/zinc/65/64/43/944656443.db2.gz SVEMMDBYSDQKEY-XQLPTFJDSA-N 2 1 322.453 0.113 20 30 DCEDMP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001317005084 944733477 /nfs/dbraw/zinc/73/34/77/944733477.db2.gz DWYBNIUYGUBVLF-HOTGVXAUSA-N 2 1 319.449 0.559 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317040660 944754025 /nfs/dbraw/zinc/75/40/25/944754025.db2.gz FNLRIMLJQLIWJJ-HNNXBMFYSA-N 2 1 324.469 0.411 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317114176 944803734 /nfs/dbraw/zinc/80/37/34/944803734.db2.gz TWNFKOGMYYOPOA-MCIONIFRSA-N 2 1 322.453 0.398 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317135900 944818576 /nfs/dbraw/zinc/81/85/76/944818576.db2.gz TZUIOTSNVIWMGL-HUUCEWRRSA-N 2 1 324.469 0.457 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001277676655 944939858 /nfs/dbraw/zinc/93/98/58/944939858.db2.gz AHVSBHLQJVTAAN-HZPDHXFCSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317416295 944963904 /nfs/dbraw/zinc/96/39/04/944963904.db2.gz TWBQWVHXCDWLPF-LSDHHAIUSA-N 2 1 322.453 0.095 20 30 DCEDMP N#CCCC[NH+]1CC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277940512 945052669 /nfs/dbraw/zinc/05/26/69/945052669.db2.gz CFEYBBJGXIPVFW-OAHLLOKOSA-N 2 1 302.422 0.919 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCCN(C(C)=O)C1 ZINC001246305446 945379876 /nfs/dbraw/zinc/37/98/76/945379876.db2.gz RXAHHRXOOBRBCA-GJZGRUSLSA-N 2 1 311.426 0.814 20 30 DCEDMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC#CCOC ZINC001318563301 945401299 /nfs/dbraw/zinc/40/12/99/945401299.db2.gz VJLYREGXYVHSAV-HRCADAONSA-N 2 1 309.454 0.851 20 30 DCEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246822010 945498438 /nfs/dbraw/zinc/49/84/38/945498438.db2.gz QFYJFORLRVXDSD-MRXNPFEDSA-N 2 1 315.465 0.574 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001319708588 945650751 /nfs/dbraw/zinc/65/07/51/945650751.db2.gz DSFCCBRWFVEENT-GDBMZVCRSA-N 2 1 318.421 0.668 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001278723009 946125012 /nfs/dbraw/zinc/12/50/12/946125012.db2.gz RGOULJPTTSBZKQ-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP C=C[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001253578238 946136089 /nfs/dbraw/zinc/13/60/89/946136089.db2.gz XJWMVUSRNZHODH-OAHLLOKOSA-N 2 1 320.437 0.838 20 30 DCEDMP C=C[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001253578238 946136094 /nfs/dbraw/zinc/13/60/94/946136094.db2.gz XJWMVUSRNZHODH-OAHLLOKOSA-N 2 1 320.437 0.838 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnn(C)c1 ZINC001321097938 946165636 /nfs/dbraw/zinc/16/56/36/946165636.db2.gz RWDCBWLNBWHIHU-AWFCHZOYSA-N 2 1 315.421 0.280 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnn(C)c1 ZINC001321097938 946165638 /nfs/dbraw/zinc/16/56/38/946165638.db2.gz RWDCBWLNBWHIHU-AWFCHZOYSA-N 2 1 315.421 0.280 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278777357 946363446 /nfs/dbraw/zinc/36/34/46/946363446.db2.gz YRNBONUBCHVTQP-RDJZCZTQSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278777357 946363460 /nfs/dbraw/zinc/36/34/60/946363460.db2.gz YRNBONUBCHVTQP-RDJZCZTQSA-N 2 1 307.438 0.436 20 30 DCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001278777357 946363474 /nfs/dbraw/zinc/36/34/74/946363474.db2.gz YRNBONUBCHVTQP-RDJZCZTQSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001278797707 946414527 /nfs/dbraw/zinc/41/45/27/946414527.db2.gz LGZJSWSUPUZTQF-DLBZAZTESA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273298025 946446031 /nfs/dbraw/zinc/44/60/31/946446031.db2.gz HDJVPRADKTXJFO-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279027952 946751115 /nfs/dbraw/zinc/75/11/15/946751115.db2.gz KMMGHLLRRLTCMU-UONOGXRCSA-N 2 1 324.469 0.361 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCOC)CC1 ZINC001323356896 947053494 /nfs/dbraw/zinc/05/34/94/947053494.db2.gz MEJAFXNZEMMQIH-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001411109029 947344268 /nfs/dbraw/zinc/34/42/68/947344268.db2.gz ZJEIJBUUODAGKH-WCQYABFASA-N 2 1 303.834 0.490 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001325112278 947660665 /nfs/dbraw/zinc/66/06/65/947660665.db2.gz ZPQIODKWIBHAMK-MRXNPFEDSA-N 2 1 305.422 0.191 20 30 DCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325836673 947945432 /nfs/dbraw/zinc/94/54/32/947945432.db2.gz UOHFWIASVUHRKC-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325836673 947945435 /nfs/dbraw/zinc/94/54/35/947945435.db2.gz UOHFWIASVUHRKC-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325836673 947945439 /nfs/dbraw/zinc/94/54/39/947945439.db2.gz UOHFWIASVUHRKC-BFYDXBDKSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001273728284 948051449 /nfs/dbraw/zinc/05/14/49/948051449.db2.gz KHLJWQCEKVHUFM-IAGOWNOFSA-N 2 1 320.481 0.875 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(=C)C)C1 ZINC001273883580 948655714 /nfs/dbraw/zinc/65/57/14/948655714.db2.gz COQDTQLANCZNKO-WMZOPIPTSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(=C)C)C1 ZINC001273883580 948655719 /nfs/dbraw/zinc/65/57/19/948655719.db2.gz COQDTQLANCZNKO-WMZOPIPTSA-N 2 1 319.449 0.603 20 30 DCEDMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001328049993 948697866 /nfs/dbraw/zinc/69/78/66/948697866.db2.gz KDYSPSLODBVLRO-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001328049993 948697872 /nfs/dbraw/zinc/69/78/72/948697872.db2.gz KDYSPSLODBVLRO-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001263857022 948784609 /nfs/dbraw/zinc/78/46/09/948784609.db2.gz JDJMPWLAPSQVQA-KBUPBQIOSA-N 2 1 322.453 0.256 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264080049 948874405 /nfs/dbraw/zinc/87/44/05/948874405.db2.gz FJBOSPHCWKMUHG-MRXNPFEDSA-N 2 1 319.449 0.391 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCOCC)C1 ZINC001264466347 948984391 /nfs/dbraw/zinc/98/43/91/948984391.db2.gz WQKHHXTUQBFRAF-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCOCC)C1 ZINC001264466347 948984401 /nfs/dbraw/zinc/98/44/01/948984401.db2.gz WQKHHXTUQBFRAF-BBWFWOEESA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001264580027 949004593 /nfs/dbraw/zinc/00/45/93/949004593.db2.gz IWAWDUAYAGDUDR-CYBMUJFWSA-N 2 1 317.393 0.006 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001265104487 949300748 /nfs/dbraw/zinc/30/07/48/949300748.db2.gz UOSNDIYLABHOOZ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001265104487 949300763 /nfs/dbraw/zinc/30/07/63/949300763.db2.gz UOSNDIYLABHOOZ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001265104487 949300787 /nfs/dbraw/zinc/30/07/87/949300787.db2.gz UOSNDIYLABHOOZ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265222632 949465802 /nfs/dbraw/zinc/46/58/02/949465802.db2.gz IIYDBCQEXUDIKY-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265222632 949465817 /nfs/dbraw/zinc/46/58/17/949465817.db2.gz IIYDBCQEXUDIKY-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001489160892 949568956 /nfs/dbraw/zinc/56/89/56/949568956.db2.gz PICBRRYIBAWPKG-DLBZAZTESA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001489160892 949568975 /nfs/dbraw/zinc/56/89/75/949568975.db2.gz PICBRRYIBAWPKG-DLBZAZTESA-N 2 1 321.465 0.778 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001489160892 949568994 /nfs/dbraw/zinc/56/89/94/949568994.db2.gz PICBRRYIBAWPKG-DLBZAZTESA-N 2 1 321.465 0.778 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265594663 949806198 /nfs/dbraw/zinc/80/61/98/949806198.db2.gz HMWUUMMOUHIKNY-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265594663 949806217 /nfs/dbraw/zinc/80/62/17/949806217.db2.gz HMWUUMMOUHIKNY-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265594663 949806239 /nfs/dbraw/zinc/80/62/39/949806239.db2.gz HMWUUMMOUHIKNY-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265615498 949816787 /nfs/dbraw/zinc/81/67/87/949816787.db2.gz IOSJMIFFWJABTP-CYBMUJFWSA-N 2 1 304.394 0.811 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360030 950309602 /nfs/dbraw/zinc/30/96/02/950309602.db2.gz MPULRLQTZUMTNW-VQHPVUNQSA-N 2 1 319.449 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330360030 950309626 /nfs/dbraw/zinc/30/96/26/950309626.db2.gz MPULRLQTZUMTNW-VQHPVUNQSA-N 2 1 319.449 0.272 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001330360030 950309642 /nfs/dbraw/zinc/30/96/42/950309642.db2.gz MPULRLQTZUMTNW-VQHPVUNQSA-N 2 1 319.449 0.272 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001490540721 950796269 /nfs/dbraw/zinc/79/62/69/950796269.db2.gz RTTKAQJASXNWOO-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001490540721 950796286 /nfs/dbraw/zinc/79/62/86/950796286.db2.gz RTTKAQJASXNWOO-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC#CCOC)C2)CC[NH+]1C ZINC001490540721 950796304 /nfs/dbraw/zinc/79/63/04/950796304.db2.gz RTTKAQJASXNWOO-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC#CCOC)C2)CC[NH+]1C ZINC001490540721 950796326 /nfs/dbraw/zinc/79/63/26/950796326.db2.gz RTTKAQJASXNWOO-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001331133192 950944263 /nfs/dbraw/zinc/94/42/63/950944263.db2.gz PDTYAZQTBPMTAI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001331133192 950944275 /nfs/dbraw/zinc/94/42/75/950944275.db2.gz PDTYAZQTBPMTAI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001331174186 950988395 /nfs/dbraw/zinc/98/83/95/950988395.db2.gz RPCYNIKKODRYPH-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC1CCCC1 ZINC001332521604 951679510 /nfs/dbraw/zinc/67/95/10/951679510.db2.gz HICTYPVAIDBDIM-IRXDYDNUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC1CCCC1 ZINC001332521604 951679513 /nfs/dbraw/zinc/67/95/13/951679513.db2.gz HICTYPVAIDBDIM-IRXDYDNUSA-N 2 1 321.465 0.683 20 30 DCEDMP C#CCN1CCN(c2nnc([C@@H]3CCC[N@@H+](C)C3)n2CC)CC1 ZINC001341147176 953212886 /nfs/dbraw/zinc/21/28/86/953212886.db2.gz QRTUQKWUUVUSLB-OAHLLOKOSA-N 2 1 316.453 0.862 20 30 DCEDMP C#CC[NH2+]CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001341457941 953231929 /nfs/dbraw/zinc/23/19/29/953231929.db2.gz MWBCWJDPOPRWAZ-UHFFFAOYSA-N 2 1 302.378 0.139 20 30 DCEDMP C#CCNCC(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC001344435346 953481135 /nfs/dbraw/zinc/48/11/35/953481135.db2.gz GYHOUCVPDCULAD-QGZVFWFLSA-N 2 1 315.417 0.535 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001283343105 954271458 /nfs/dbraw/zinc/27/14/58/954271458.db2.gz BZNBDNFHOANZRO-UHFFFAOYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001283343105 954271471 /nfs/dbraw/zinc/27/14/71/954271471.db2.gz BZNBDNFHOANZRO-UHFFFAOYSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001283343105 954271487 /nfs/dbraw/zinc/27/14/87/954271487.db2.gz BZNBDNFHOANZRO-UHFFFAOYSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001283621489 954489513 /nfs/dbraw/zinc/48/95/13/954489513.db2.gz MDMQTUPJQWELMZ-ZIAGYGMSSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001284178864 954905469 /nfs/dbraw/zinc/90/54/69/954905469.db2.gz JJHDRQKWFYNFHL-JKSUJKDBSA-N 2 1 321.465 0.995 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CC#CCOC)C1 ZINC001333141405 956310805 /nfs/dbraw/zinc/31/08/05/956310805.db2.gz OAFVFBYRJBFLMO-UHFFFAOYSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[NH+](CC)CC ZINC001355700953 956704450 /nfs/dbraw/zinc/70/44/50/956704450.db2.gz JJNRLKKMTJZKQJ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[NH+](CC)CC ZINC001355700953 956704456 /nfs/dbraw/zinc/70/44/56/956704456.db2.gz JJNRLKKMTJZKQJ-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C=C(Cl)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001379408314 962853240 /nfs/dbraw/zinc/85/32/40/962853240.db2.gz VCYIDDBGWHAVAD-CHWSQXEVSA-N 2 1 303.834 0.678 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001379408314 962853255 /nfs/dbraw/zinc/85/32/55/962853255.db2.gz VCYIDDBGWHAVAD-CHWSQXEVSA-N 2 1 303.834 0.678 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001369381519 964860976 /nfs/dbraw/zinc/86/09/76/964860976.db2.gz KQQDBMRBMLJRMR-CVEARBPZSA-N 2 1 316.405 0.077 20 30 DCEDMP C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001381617183 966584652 /nfs/dbraw/zinc/58/46/52/966584652.db2.gz KCHZDAQXLWTYRY-QWHCGFSZSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001381617183 966584657 /nfs/dbraw/zinc/58/46/57/966584657.db2.gz KCHZDAQXLWTYRY-QWHCGFSZSA-N 2 1 303.834 0.896 20 30 DCEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001382267986 967143420 /nfs/dbraw/zinc/14/34/20/967143420.db2.gz MQRUAIPZHGYFMG-GHMZBOCLSA-N 2 1 322.247 0.302 20 30 DCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001527667808 1015521085 /nfs/dbraw/zinc/52/10/85/1015521085.db2.gz QMCQMWSOXUXLAV-ZBFHGGJFSA-N 2 1 306.454 0.531 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001390603363 990238758 /nfs/dbraw/zinc/23/87/58/990238758.db2.gz MRJVKMYFBKOJLK-KGLIPLIRSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001390603363 990238766 /nfs/dbraw/zinc/23/87/66/990238766.db2.gz MRJVKMYFBKOJLK-KGLIPLIRSA-N 2 1 315.845 0.898 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCOC(C)C ZINC001507091678 1015976807 /nfs/dbraw/zinc/97/68/07/1015976807.db2.gz MKXTUVREBPCEIX-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCOC(C)C ZINC001507091678 1015976815 /nfs/dbraw/zinc/97/68/15/1015976815.db2.gz MKXTUVREBPCEIX-HOTGVXAUSA-N 2 1 309.454 0.946 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001505711036 1016476652 /nfs/dbraw/zinc/47/66/52/1016476652.db2.gz YNJOYJZCHYMTLE-OLZOCXBDSA-N 2 1 303.834 0.944 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001505710996 1016476822 /nfs/dbraw/zinc/47/68/22/1016476822.db2.gz XXFVVHRCQFUVBN-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001421326134 1003545814 /nfs/dbraw/zinc/54/58/14/1003545814.db2.gz GFPNLRLRFCWOSZ-CYBMUJFWSA-N 2 1 315.845 0.946 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492951616 1003651301 /nfs/dbraw/zinc/65/13/01/1003651301.db2.gz DYKKFUHSGDBUOV-HNNXBMFYSA-N 2 1 322.453 0.069 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492951616 1003651308 /nfs/dbraw/zinc/65/13/08/1003651308.db2.gz DYKKFUHSGDBUOV-HNNXBMFYSA-N 2 1 322.453 0.069 20 30 DCEDMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccc(C#N)s1 ZINC001441783789 1008501624 /nfs/dbraw/zinc/50/16/24/1008501624.db2.gz ILJAJPJPGUNGKR-SMDDNHRTSA-N 2 1 322.434 0.545 20 30 DCEDMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccc(C#N)s1 ZINC001441783789 1008501626 /nfs/dbraw/zinc/50/16/26/1008501626.db2.gz ILJAJPJPGUNGKR-SMDDNHRTSA-N 2 1 322.434 0.545 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001479287306 1017477377 /nfs/dbraw/zinc/47/73/77/1017477377.db2.gz XBXQJMOJKBQQTH-QLFBSQMISA-N 2 1 311.426 0.004 20 30 DCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001479287306 1017477384 /nfs/dbraw/zinc/47/73/84/1017477384.db2.gz XBXQJMOJKBQQTH-QLFBSQMISA-N 2 1 311.426 0.004 20 30 DCEDMP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001479660588 1017637735 /nfs/dbraw/zinc/63/77/35/1017637735.db2.gz CFWPHDBREXYXBP-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001479660588 1017637739 /nfs/dbraw/zinc/63/77/39/1017637739.db2.gz CFWPHDBREXYXBP-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001479660588 1017637749 /nfs/dbraw/zinc/63/77/49/1017637749.db2.gz CFWPHDBREXYXBP-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001480020466 1018133307 /nfs/dbraw/zinc/13/33/07/1018133307.db2.gz SKSSKJACOFIMRZ-IRXDYDNUSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001499989548 1018162317 /nfs/dbraw/zinc/16/23/17/1018162317.db2.gz HMKXVZQPTSDERA-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001480173793 1018282400 /nfs/dbraw/zinc/28/24/00/1018282400.db2.gz NDQMKKYTPJQMJM-RBSFLKMASA-N 2 1 322.453 0.400 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001500750986 1018630695 /nfs/dbraw/zinc/63/06/95/1018630695.db2.gz ODRHTSQTXFPUII-SFHVURJKSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)no1 ZINC001495681234 1018645321 /nfs/dbraw/zinc/64/53/21/1018645321.db2.gz GQLZKTUEQHFPDO-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)no1 ZINC001495681234 1018645330 /nfs/dbraw/zinc/64/53/30/1018645330.db2.gz GQLZKTUEQHFPDO-BBRMVZONSA-N 2 1 318.421 0.923 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001480619248 1018714413 /nfs/dbraw/zinc/71/44/13/1018714413.db2.gz ICNAGZKNMPWYNL-JYJNAYRXSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001480647716 1018742205 /nfs/dbraw/zinc/74/22/05/1018742205.db2.gz FZYYJKSVKYCYPS-SJORKVTESA-N 2 1 317.433 0.172 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001480647716 1018742220 /nfs/dbraw/zinc/74/22/20/1018742220.db2.gz FZYYJKSVKYCYPS-SJORKVTESA-N 2 1 317.433 0.172 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495885852 1018823346 /nfs/dbraw/zinc/82/33/46/1018823346.db2.gz SEZYNNUCWQTDLV-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001495885852 1018823369 /nfs/dbraw/zinc/82/33/69/1018823369.db2.gz SEZYNNUCWQTDLV-IRXDYDNUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001501307602 1019034160 /nfs/dbraw/zinc/03/41/60/1019034160.db2.gz KXLZTSDJMSMSLN-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001501307602 1019034175 /nfs/dbraw/zinc/03/41/75/1019034175.db2.gz KXLZTSDJMSMSLN-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001501307602 1019034192 /nfs/dbraw/zinc/03/41/92/1019034192.db2.gz KXLZTSDJMSMSLN-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001501307602 1019034199 /nfs/dbraw/zinc/03/41/99/1019034199.db2.gz KXLZTSDJMSMSLN-WBVHZDCISA-N 2 1 309.454 0.990 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001501353582 1019082085 /nfs/dbraw/zinc/08/20/85/1019082085.db2.gz FIULRSOTKFWCEY-SFHVURJKSA-N 2 1 321.465 0.685 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001501353582 1019082098 /nfs/dbraw/zinc/08/20/98/1019082098.db2.gz FIULRSOTKFWCEY-SFHVURJKSA-N 2 1 321.465 0.685 20 30 DCEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501365206 1019100827 /nfs/dbraw/zinc/10/08/27/1019100827.db2.gz XIZOIGWCNGWXTH-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501365206 1019100834 /nfs/dbraw/zinc/10/08/34/1019100834.db2.gz XIZOIGWCNGWXTH-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501365206 1019100839 /nfs/dbraw/zinc/10/08/39/1019100839.db2.gz XIZOIGWCNGWXTH-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001501894842 1019543492 /nfs/dbraw/zinc/54/34/92/1019543492.db2.gz LHCIWOHKSDEWMA-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001493726193 1019663472 /nfs/dbraw/zinc/66/34/72/1019663472.db2.gz QZHPPXRREVOAEZ-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001502072981 1019685957 /nfs/dbraw/zinc/68/59/57/1019685957.db2.gz XSTMHILHHVQFBP-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329476550 282098349 /nfs/dbraw/zinc/09/83/49/282098349.db2.gz UDVUHTFETACHJQ-HNNXBMFYSA-N 2 1 323.485 0.753 20 30 DCEDMP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329476550 282098351 /nfs/dbraw/zinc/09/83/51/282098351.db2.gz UDVUHTFETACHJQ-HNNXBMFYSA-N 2 1 323.485 0.753 20 30 DCEDMP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329476550 282098353 /nfs/dbraw/zinc/09/83/53/282098353.db2.gz UDVUHTFETACHJQ-HNNXBMFYSA-N 2 1 323.485 0.753 20 30 DCEDMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594661453 396495700 /nfs/dbraw/zinc/49/57/00/396495700.db2.gz ZRLJFLMBBODKJN-UONOGXRCSA-N 2 1 306.410 0.691 20 30 DCEDMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594661453 396495702 /nfs/dbraw/zinc/49/57/02/396495702.db2.gz ZRLJFLMBBODKJN-UONOGXRCSA-N 2 1 306.410 0.691 20 30 DCEDMP CN(c1ccnc(C#N)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000594556173 396486825 /nfs/dbraw/zinc/48/68/25/396486825.db2.gz RZRPUZXDUQYDDV-AWEZNQCLSA-N 2 1 300.410 0.953 20 30 DCEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600738327 396933658 /nfs/dbraw/zinc/93/36/58/396933658.db2.gz JRYAKBLKIDYIRI-JKSUJKDBSA-N 2 1 319.405 0.344 20 30 DCEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600738325 396934060 /nfs/dbraw/zinc/93/40/60/396934060.db2.gz JRYAKBLKIDYIRI-HOTGVXAUSA-N 2 1 319.405 0.344 20 30 DCEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719438 397283705 /nfs/dbraw/zinc/28/37/05/397283705.db2.gz IFUKXGXTBHIECP-LSDHHAIUSA-N 2 1 324.469 0.819 20 30 DCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719438 397283710 /nfs/dbraw/zinc/28/37/10/397283710.db2.gz IFUKXGXTBHIECP-LSDHHAIUSA-N 2 1 324.469 0.819 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H](C)C#N ZINC000352412730 415164145 /nfs/dbraw/zinc/16/41/45/415164145.db2.gz IHRFMFMKOKEWDS-UONOGXRCSA-N 2 1 316.471 0.576 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000296480230 415930144 /nfs/dbraw/zinc/93/01/44/415930144.db2.gz OZNCWHXVDPYIQQ-UHFFFAOYSA-N 2 1 306.414 0.240 20 30 DCEDMP C#CC[N@H+](C)CCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000296480230 415930151 /nfs/dbraw/zinc/93/01/51/415930151.db2.gz OZNCWHXVDPYIQQ-UHFFFAOYSA-N 2 1 306.414 0.240 20 30 DCEDMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)CC1 ZINC000330870555 416245175 /nfs/dbraw/zinc/24/51/75/416245175.db2.gz QQCWFISPWGXWMU-HNNXBMFYSA-N 2 1 312.458 0.773 20 30 DCEDMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000330870555 416245178 /nfs/dbraw/zinc/24/51/78/416245178.db2.gz QQCWFISPWGXWMU-HNNXBMFYSA-N 2 1 312.458 0.773 20 30 DCEDMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000330870555 416245180 /nfs/dbraw/zinc/24/51/80/416245180.db2.gz QQCWFISPWGXWMU-HNNXBMFYSA-N 2 1 312.458 0.773 20 30 DCEDMP COCC1(C#N)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000341988930 416264128 /nfs/dbraw/zinc/26/41/28/416264128.db2.gz KNNQWBTUDPLSKV-UHFFFAOYSA-N 2 1 308.426 0.403 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330514 416418703 /nfs/dbraw/zinc/41/87/03/416418703.db2.gz PZMCXCFMZJOWDF-MELADBBJSA-N 2 1 308.426 0.708 20 30 DCEDMP C[C@@H]1C[C@H](CO)C[NH+](CC#CC[N@@H+]2C[C@H](CO)C[C@H](C)C2)C1 ZINC000420953874 416419750 /nfs/dbraw/zinc/41/97/50/416419750.db2.gz YYCXJPSAWJJUEV-FZDBZEDMSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1C[C@H](CO)C[N@H+](CC#CC[NH+]2C[C@H](CO)C[C@H](C)C2)C1 ZINC000420953874 416419751 /nfs/dbraw/zinc/41/97/51/416419751.db2.gz YYCXJPSAWJJUEV-FZDBZEDMSA-N 2 1 308.466 0.890 20 30 DCEDMP C[C@@H]1C[C@H](CO)C[N@@H+](CC#CC[NH+]2C[C@H](CO)C[C@H](C)C2)C1 ZINC000420953874 416419752 /nfs/dbraw/zinc/41/97/52/416419752.db2.gz YYCXJPSAWJJUEV-FZDBZEDMSA-N 2 1 308.466 0.890 20 30 DCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2COCC)CC1 ZINC000491757705 416623107 /nfs/dbraw/zinc/62/31/07/416623107.db2.gz FKBOTOKPDJFUGF-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCN1CCN(C(=O)CN2CCCC[C@H]2COCC)CC1 ZINC000491757705 416623109 /nfs/dbraw/zinc/62/31/09/416623109.db2.gz FKBOTOKPDJFUGF-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000491783267 416628512 /nfs/dbraw/zinc/62/85/12/416628512.db2.gz QTWDLWDYJXPBTH-GJZGRUSLSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000491783267 416628516 /nfs/dbraw/zinc/62/85/16/416628516.db2.gz QTWDLWDYJXPBTH-GJZGRUSLSA-N 2 1 307.438 0.245 20 30 DCEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC#CCO)CC2)CC1 ZINC000565206803 416945487 /nfs/dbraw/zinc/94/54/87/416945487.db2.gz XTRDYRWBXXITNA-UHFFFAOYSA-N 2 1 307.438 0.295 20 30 DCEDMP C=CC[C@]1(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CCC[NH2+]1 ZINC000662681351 417847827 /nfs/dbraw/zinc/84/78/27/417847827.db2.gz FRRMVPAGGFZKTE-MRXNPFEDSA-N 2 1 308.426 0.011 20 30 DCEDMP C(#CC[N@H+]1CC[C@@H]2COC[C@@H]2C1)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037505 418376912 /nfs/dbraw/zinc/37/69/12/418376912.db2.gz UGKWLIMLUIPMJO-BDXSIMOUSA-N 2 1 304.434 0.926 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000491473823 333103806 /nfs/dbraw/zinc/10/38/06/333103806.db2.gz HUYIUMZHWNXLFG-UHFFFAOYSA-N 2 1 322.453 0.448 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000154344730 526382938 /nfs/dbraw/zinc/38/29/38/526382938.db2.gz RXYARGIWTJEHSD-WDEREUQCSA-N 2 1 319.409 0.669 20 30 DCEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000154344384 526383021 /nfs/dbraw/zinc/38/30/21/526383021.db2.gz RXYARGIWTJEHSD-MNOVXSKESA-N 2 1 319.409 0.669 20 30 DCEDMP CC(C)CNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264107622 527954414 /nfs/dbraw/zinc/95/44/14/527954414.db2.gz OFFUSDNQPJEHQZ-UHFFFAOYSA-N 2 1 319.457 0.549 20 30 DCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000329433956 546048408 /nfs/dbraw/zinc/04/84/08/546048408.db2.gz JCDMHQOQLCTVGV-UKRRQHHQSA-N 2 1 309.458 0.220 20 30 DCEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329433956 546048412 /nfs/dbraw/zinc/04/84/12/546048412.db2.gz JCDMHQOQLCTVGV-UKRRQHHQSA-N 2 1 309.458 0.220 20 30 DCEDMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000329433956 546048417 /nfs/dbraw/zinc/04/84/17/546048417.db2.gz JCDMHQOQLCTVGV-UKRRQHHQSA-N 2 1 309.458 0.220 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001672766514 1175151791 /nfs/dbraw/zinc/15/17/91/1175151791.db2.gz HIKKMKSBICRYKY-KGLIPLIRSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643926 660579506 /nfs/dbraw/zinc/57/95/06/660579506.db2.gz YTTSJHJKJFHMIN-NXOAAHMSSA-N 2 1 321.465 0.966 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643926 660579507 /nfs/dbraw/zinc/57/95/07/660579507.db2.gz YTTSJHJKJFHMIN-NXOAAHMSSA-N 2 1 321.465 0.966 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643926 660579508 /nfs/dbraw/zinc/57/95/08/660579508.db2.gz YTTSJHJKJFHMIN-NXOAAHMSSA-N 2 1 321.465 0.966 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)CC1 ZINC000979085926 660658961 /nfs/dbraw/zinc/65/89/61/660658961.db2.gz GRKUOVKVTQZCRT-OSYLJGHBSA-N 2 1 319.449 0.008 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979069954 660657433 /nfs/dbraw/zinc/65/74/33/660657433.db2.gz FWEWERDEKAVUPO-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979069954 660657436 /nfs/dbraw/zinc/65/74/36/660657436.db2.gz FWEWERDEKAVUPO-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979069954 660657437 /nfs/dbraw/zinc/65/74/37/660657437.db2.gz FWEWERDEKAVUPO-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979069954 660657438 /nfs/dbraw/zinc/65/74/38/660657438.db2.gz FWEWERDEKAVUPO-JONQDZQNSA-N 2 1 307.438 0.577 20 30 DCEDMP C=CC[N@H+]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000981186175 661097037 /nfs/dbraw/zinc/09/70/37/661097037.db2.gz MVSDIQGVGHCAAJ-UHFFFAOYSA-N 2 1 305.426 0.779 20 30 DCEDMP C=CC[N@@H+]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000981186175 661097039 /nfs/dbraw/zinc/09/70/39/661097039.db2.gz MVSDIQGVGHCAAJ-UHFFFAOYSA-N 2 1 305.426 0.779 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036762 661092129 /nfs/dbraw/zinc/09/21/29/661092129.db2.gz GNCIOVAIUCRSSM-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036762 661092131 /nfs/dbraw/zinc/09/21/31/661092131.db2.gz GNCIOVAIUCRSSM-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036762 661092132 /nfs/dbraw/zinc/09/21/32/661092132.db2.gz GNCIOVAIUCRSSM-GWUWNPHMSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[N@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000981446326 661154671 /nfs/dbraw/zinc/15/46/71/661154671.db2.gz CMLRQPDUIKDWGT-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[N@@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000981446326 661154673 /nfs/dbraw/zinc/15/46/73/661154673.db2.gz CMLRQPDUIKDWGT-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000981963091 661258620 /nfs/dbraw/zinc/25/86/20/661258620.db2.gz ICGFTYUWUJXAKH-MRXNPFEDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000939147986 665502700 /nfs/dbraw/zinc/50/27/00/665502700.db2.gz QKLHNTTWTMLLRQ-XJKSGUPXSA-N 2 1 316.405 0.954 20 30 DCEDMP CC#CCN1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553042 657764304 /nfs/dbraw/zinc/76/43/04/657764304.db2.gz XVCYOAZPPISLDA-FUHWJXTLSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972554899 657789553 /nfs/dbraw/zinc/78/95/53/657789553.db2.gz SLZNMEDXJGOHID-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972554899 657789558 /nfs/dbraw/zinc/78/95/58/657789558.db2.gz SLZNMEDXJGOHID-DOTOQJQBSA-N 2 1 307.438 0.653 20 30 DCEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262363147 657896649 /nfs/dbraw/zinc/89/66/49/657896649.db2.gz HDWOARFPJSOUIH-SWLSCSKDSA-N 2 1 312.483 0.646 20 30 DCEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262363147 657896653 /nfs/dbraw/zinc/89/66/53/657896653.db2.gz HDWOARFPJSOUIH-SWLSCSKDSA-N 2 1 312.483 0.646 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968805 658104018 /nfs/dbraw/zinc/10/40/18/658104018.db2.gz HUVOYGXPKUBHHH-DGNOSDGRSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971968805 658104023 /nfs/dbraw/zinc/10/40/23/658104023.db2.gz HUVOYGXPKUBHHH-DGNOSDGRSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971968805 658104025 /nfs/dbraw/zinc/10/40/25/658104025.db2.gz HUVOYGXPKUBHHH-DGNOSDGRSA-N 2 1 305.422 0.568 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001023762125 658218502 /nfs/dbraw/zinc/21/85/02/658218502.db2.gz ROLVVMWGXJWVRY-HZPDHXFCSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000969965718 658297703 /nfs/dbraw/zinc/29/77/03/658297703.db2.gz VGFNRMSASCXXSB-CYBMUJFWSA-N 2 1 302.378 0.708 20 30 DCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999145698 665585339 /nfs/dbraw/zinc/58/53/39/665585339.db2.gz PJYTWJDBFYWJGJ-UZZMVUAXSA-N 2 1 303.406 0.062 20 30 DCEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]12 ZINC001026297450 659136045 /nfs/dbraw/zinc/13/60/45/659136045.db2.gz DPEMJZQCQSAPPN-BPLDGKMQSA-N 2 1 316.405 0.810 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]21 ZINC001025814075 659576621 /nfs/dbraw/zinc/57/66/21/659576621.db2.gz OHONLGIVGCYXAC-ARKGTOAJSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]21 ZINC001025814075 659576625 /nfs/dbraw/zinc/57/66/25/659576625.db2.gz OHONLGIVGCYXAC-ARKGTOAJSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)OC)C[C@H]21 ZINC001025814075 659576628 /nfs/dbraw/zinc/57/66/28/659576628.db2.gz OHONLGIVGCYXAC-ARKGTOAJSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)OC)C[C@H]21 ZINC001025814075 659576632 /nfs/dbraw/zinc/57/66/32/659576632.db2.gz OHONLGIVGCYXAC-ARKGTOAJSA-N 2 1 305.422 0.165 20 30 DCEDMP C[NH+]=C(NCC1(O)CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261661549 661363235 /nfs/dbraw/zinc/36/32/35/661363235.db2.gz FYGLRJQPMDXZHW-HNNXBMFYSA-N 2 1 324.469 0.521 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699516 661766569 /nfs/dbraw/zinc/76/65/69/661766569.db2.gz ZLQJGGQKJTXYOG-CTMQZQKCSA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028699516 661766574 /nfs/dbraw/zinc/76/65/74/661766574.db2.gz ZLQJGGQKJTXYOG-CTMQZQKCSA-N 2 1 317.433 0.311 20 30 DCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028699516 661766576 /nfs/dbraw/zinc/76/65/76/661766576.db2.gz ZLQJGGQKJTXYOG-CTMQZQKCSA-N 2 1 317.433 0.311 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699392 661766854 /nfs/dbraw/zinc/76/68/54/661766854.db2.gz XTHJCCFCBMQZGP-UJEKJILKSA-N 2 1 305.422 0.474 20 30 DCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028699392 661766856 /nfs/dbraw/zinc/76/68/56/661766856.db2.gz XTHJCCFCBMQZGP-UJEKJILKSA-N 2 1 305.422 0.474 20 30 DCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028699392 661766857 /nfs/dbraw/zinc/76/68/57/661766857.db2.gz XTHJCCFCBMQZGP-UJEKJILKSA-N 2 1 305.422 0.474 20 30 DCEDMP CC[C@@H]1CN(C(NC[C@@H]2C[N@@H+](C)CCN2C)=[NH+]C)CCS1 ZINC000261937930 661876133 /nfs/dbraw/zinc/87/61/33/661876133.db2.gz MHEYBEFBCAKXJI-ZIAGYGMSSA-N 2 1 313.515 0.635 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648017 665822370 /nfs/dbraw/zinc/82/23/70/665822370.db2.gz VMBBOIMNOXSHSO-LSDHHAIUSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000947319504 662509223 /nfs/dbraw/zinc/50/92/23/662509223.db2.gz SGMISPZHRONAIM-CABCVRRESA-N 2 1 317.437 0.661 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989193113 662889684 /nfs/dbraw/zinc/88/96/84/662889684.db2.gz IQOUIJDLCJDLJJ-KGLIPLIRSA-N 2 1 300.406 0.974 20 30 DCEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000990572179 663067670 /nfs/dbraw/zinc/06/76/70/663067670.db2.gz ZGBJEBDRWRXXOI-CYBMUJFWSA-N 2 1 301.818 0.650 20 30 DCEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000990572179 663067671 /nfs/dbraw/zinc/06/76/71/663067671.db2.gz ZGBJEBDRWRXXOI-CYBMUJFWSA-N 2 1 301.818 0.650 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC(C)(C)CC[NH+]2CCOCC2)CC1 ZINC000912953612 664250076 /nfs/dbraw/zinc/25/00/76/664250076.db2.gz HURPBUXUPWGMRX-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCO)[C@H]2C)CC1 ZINC000994498676 665116850 /nfs/dbraw/zinc/11/68/50/665116850.db2.gz NTMVIQAFAYWBFG-GOEBONIOSA-N 2 1 307.438 0.293 20 30 DCEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997870162 665356216 /nfs/dbraw/zinc/35/62/16/665356216.db2.gz HGYRJSOVKZSLLB-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997870162 665356217 /nfs/dbraw/zinc/35/62/17/665356217.db2.gz HGYRJSOVKZSLLB-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665480 666040871 /nfs/dbraw/zinc/04/08/71/666040871.db2.gz FVPBORCSIBYHFZ-MRXNPFEDSA-N 2 1 320.481 0.733 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001691146434 1157595588 /nfs/dbraw/zinc/59/55/88/1157595588.db2.gz ULMKQVNLGAJBKK-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001032837210 666289257 /nfs/dbraw/zinc/28/92/57/666289257.db2.gz KDOQPRQQWLFMPK-ZACQAIPSSA-N 2 1 319.449 0.844 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279971 666659625 /nfs/dbraw/zinc/65/96/25/666659625.db2.gz YPEJIYXDVWMQPQ-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279971 666659626 /nfs/dbraw/zinc/65/96/26/666659626.db2.gz YPEJIYXDVWMQPQ-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279971 666659627 /nfs/dbraw/zinc/65/96/27/666659627.db2.gz YPEJIYXDVWMQPQ-NDUQDZPOSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279966 666659912 /nfs/dbraw/zinc/65/99/12/666659912.db2.gz YPEJIYXDVWMQPQ-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279966 666659914 /nfs/dbraw/zinc/65/99/14/666659914.db2.gz YPEJIYXDVWMQPQ-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279966 666659915 /nfs/dbraw/zinc/65/99/15/666659915.db2.gz YPEJIYXDVWMQPQ-BNQMIIOLSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995892231 666716934 /nfs/dbraw/zinc/71/69/34/666716934.db2.gz FFWSYBXGFWCVSS-HUUCEWRRSA-N 2 1 319.453 0.826 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001033686624 666795522 /nfs/dbraw/zinc/79/55/22/666795522.db2.gz REERVAIRZBCHKS-KRWDZBQOSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC#C)C2)CC1 ZINC001034538310 667065030 /nfs/dbraw/zinc/06/50/30/667065030.db2.gz LNNIYTNCNUUXKK-QGZVFWFLSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000996998777 667065095 /nfs/dbraw/zinc/06/50/95/667065095.db2.gz LPOHWRUUBDGQJB-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000996998777 667065097 /nfs/dbraw/zinc/06/50/97/667065097.db2.gz LPOHWRUUBDGQJB-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035169531 667261739 /nfs/dbraw/zinc/26/17/39/667261739.db2.gz CRYFILBXMWYTFO-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035169531 667261742 /nfs/dbraw/zinc/26/17/42/667261742.db2.gz CRYFILBXMWYTFO-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035169531 667261745 /nfs/dbraw/zinc/26/17/45/667261745.db2.gz CRYFILBXMWYTFO-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035169531 667261747 /nfs/dbraw/zinc/26/17/47/667261747.db2.gz CRYFILBXMWYTFO-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC001035713224 667403323 /nfs/dbraw/zinc/40/33/23/667403323.db2.gz OYUADGOAHHMBJN-HZPDHXFCSA-N 2 1 317.433 0.407 20 30 DCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884213129 667500573 /nfs/dbraw/zinc/50/05/73/667500573.db2.gz UNRLMODPJKNJPC-PTSUJKEJSA-N 2 1 302.422 0.821 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000890363367 668120245 /nfs/dbraw/zinc/12/02/45/668120245.db2.gz NDLYLWRWWZWDQZ-MRXNPFEDSA-N 2 1 323.485 0.267 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000890363367 668120248 /nfs/dbraw/zinc/12/02/48/668120248.db2.gz NDLYLWRWWZWDQZ-MRXNPFEDSA-N 2 1 323.485 0.267 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000876764907 668505529 /nfs/dbraw/zinc/50/55/29/668505529.db2.gz PEAIPHCZCYRZPO-JSGCOSHPSA-N 2 1 314.861 0.741 20 30 DCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000876764907 668505532 /nfs/dbraw/zinc/50/55/32/668505532.db2.gz PEAIPHCZCYRZPO-JSGCOSHPSA-N 2 1 314.861 0.741 20 30 DCEDMP C#CC1(O)CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000931142919 669141890 /nfs/dbraw/zinc/14/18/90/669141890.db2.gz AIPVJWADWHPTIV-UHFFFAOYSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949225999 670291015 /nfs/dbraw/zinc/29/10/15/670291015.db2.gz BRCUPZRGHPXOEL-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)CC#N)CC2)CC1 ZINC000809574260 670455749 /nfs/dbraw/zinc/45/57/49/670455749.db2.gz JPDOEXKYYRUSKV-MRXNPFEDSA-N 2 1 322.453 0.527 20 30 DCEDMP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001755458407 1158143916 /nfs/dbraw/zinc/14/39/16/1158143916.db2.gz DJAZBZSVXKRJPG-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1 ZINC001020250812 693745909 /nfs/dbraw/zinc/74/59/09/693745909.db2.gz RYZLFLKCCPBZLF-DZKIICNBSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1 ZINC001020250812 693745914 /nfs/dbraw/zinc/74/59/14/693745914.db2.gz RYZLFLKCCPBZLF-DZKIICNBSA-N 2 1 315.421 0.255 20 30 DCEDMP CC[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000303881103 685208005 /nfs/dbraw/zinc/20/80/05/685208005.db2.gz HKFXZYLAAGWIFB-HNNXBMFYSA-N 3 1 311.474 0.487 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958222675 687454418 /nfs/dbraw/zinc/45/44/18/687454418.db2.gz FWJSUQUHWBXWIY-GDBMZVCRSA-N 2 1 312.373 0.380 20 30 DCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958580320 687767716 /nfs/dbraw/zinc/76/77/16/687767716.db2.gz FJTCNNZYMBDZMA-IRXDYDNUSA-N 2 1 321.465 0.703 20 30 DCEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717409 687871929 /nfs/dbraw/zinc/87/19/29/687871929.db2.gz QIGQRDFATPXUDS-SJORKVTESA-N 2 1 317.433 0.957 20 30 DCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000960992104 688497757 /nfs/dbraw/zinc/49/77/57/688497757.db2.gz GTUPNKQADKRAMX-QLPKVWCKSA-N 2 1 321.384 0.951 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000963830077 689101621 /nfs/dbraw/zinc/10/16/21/689101621.db2.gz IDALVDRTPYWYMR-BHGSYNGZSA-N 2 1 317.433 0.500 20 30 DCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000963830078 689101661 /nfs/dbraw/zinc/10/16/61/689101661.db2.gz IDALVDRTPYWYMR-WENYZVDWSA-N 2 1 317.433 0.500 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014474859 692027610 /nfs/dbraw/zinc/02/76/10/692027610.db2.gz WOWRPGAYZCKSRB-BBWFWOEESA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014474859 692027613 /nfs/dbraw/zinc/02/76/13/692027613.db2.gz WOWRPGAYZCKSRB-BBWFWOEESA-N 2 1 319.449 0.557 20 30 DCEDMP C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017747463 692974165 /nfs/dbraw/zinc/97/41/65/692974165.db2.gz DSNLXDHIGCXLMJ-OWQJAQGESA-N 2 1 315.417 0.158 20 30 DCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019169741 693376786 /nfs/dbraw/zinc/37/67/86/693376786.db2.gz HVBHDJMEGLDLJL-KRIMKBQASA-N 2 1 305.422 0.616 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020179178 693724672 /nfs/dbraw/zinc/72/46/72/693724672.db2.gz RAIVTHTYOWBEEX-XUXIUFHCSA-N 2 1 313.829 0.839 20 30 DCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087117 694703773 /nfs/dbraw/zinc/70/37/73/694703773.db2.gz IXBRTFIYWSQVGA-UHFFFAOYSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073610835 694751645 /nfs/dbraw/zinc/75/16/45/694751645.db2.gz FTKOOTMLXPFCJC-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610835 694751646 /nfs/dbraw/zinc/75/16/46/694751646.db2.gz FTKOOTMLXPFCJC-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610835 694751647 /nfs/dbraw/zinc/75/16/47/694751647.db2.gz FTKOOTMLXPFCJC-OWCLPIDISA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677641 694765958 /nfs/dbraw/zinc/76/59/58/694765958.db2.gz NCOUQFIKGWSQBQ-INIZCTEOSA-N 2 1 319.449 0.845 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940594 694987609 /nfs/dbraw/zinc/98/76/09/694987609.db2.gz XSPPAHGMFVCWJK-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940594 694987610 /nfs/dbraw/zinc/98/76/10/694987610.db2.gz XSPPAHGMFVCWJK-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940594 694987611 /nfs/dbraw/zinc/98/76/11/694987611.db2.gz XSPPAHGMFVCWJK-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940594 694987612 /nfs/dbraw/zinc/98/76/12/694987612.db2.gz XSPPAHGMFVCWJK-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076589034 695030489 /nfs/dbraw/zinc/03/04/89/695030489.db2.gz PMWDENQUGPDNSV-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076589034 695030490 /nfs/dbraw/zinc/03/04/90/695030490.db2.gz PMWDENQUGPDNSV-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076589034 695030491 /nfs/dbraw/zinc/03/04/91/695030491.db2.gz PMWDENQUGPDNSV-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076589034 695030492 /nfs/dbraw/zinc/03/04/92/695030492.db2.gz PMWDENQUGPDNSV-ARFHVFGLSA-N 2 1 307.438 0.816 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)CC1CC[NH+](C)CC1 ZINC001571344857 1162712161 /nfs/dbraw/zinc/71/21/61/1162712161.db2.gz SBRCTZZALYVWRE-UHFFFAOYSA-N 2 1 309.454 0.806 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001571586294 1162830131 /nfs/dbraw/zinc/83/01/31/1162830131.db2.gz LWJKTPMWAAFRNQ-INIZCTEOSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001571645695 1162876209 /nfs/dbraw/zinc/87/62/09/1162876209.db2.gz PLKSLGBZOSITRT-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001755458232 1158143949 /nfs/dbraw/zinc/14/39/49/1158143949.db2.gz AMAQHRQVYZWNGQ-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001755458232 1158143950 /nfs/dbraw/zinc/14/39/50/1158143950.db2.gz AMAQHRQVYZWNGQ-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001755458232 1158143951 /nfs/dbraw/zinc/14/39/51/1158143951.db2.gz AMAQHRQVYZWNGQ-MRXNPFEDSA-N 2 1 319.449 0.512 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001565866283 1159916070 /nfs/dbraw/zinc/91/60/70/1159916070.db2.gz DTUZBLSBUDJPGS-SHTZXODSSA-N 2 1 307.438 0.605 20 30 DCEDMP COCC#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001566724383 1160137944 /nfs/dbraw/zinc/13/79/44/1160137944.db2.gz HQLVFRBVSWCMCE-GDBMZVCRSA-N 2 1 307.438 0.462 20 30 DCEDMP C#CCC[N@H+](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001567445313 1160368664 /nfs/dbraw/zinc/36/86/64/1160368664.db2.gz XEHQIUPSQVZSPG-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001568415574 1160643295 /nfs/dbraw/zinc/64/32/95/1160643295.db2.gz YJWRJDVJOBAIMT-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001569316938 1161010871 /nfs/dbraw/zinc/01/08/71/1161010871.db2.gz OWUKTNNCSRKETM-GDBMZVCRSA-N 2 1 300.406 0.872 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001569526750 1161087752 /nfs/dbraw/zinc/08/77/52/1161087752.db2.gz LVBWGWRNCXVBMO-JKSUJKDBSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC=C(C)C ZINC001569934948 1161330685 /nfs/dbraw/zinc/33/06/85/1161330685.db2.gz PXFLMZRYQRVHRG-INIZCTEOSA-N 2 1 307.438 0.461 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC=C(C)C ZINC001569934948 1161330691 /nfs/dbraw/zinc/33/06/91/1161330691.db2.gz PXFLMZRYQRVHRG-INIZCTEOSA-N 2 1 307.438 0.461 20 30 DCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001570295490 1161551971 /nfs/dbraw/zinc/55/19/71/1161551971.db2.gz IQIWBQZNTFGKLD-FUHWJXTLSA-N 2 1 321.465 0.827 20 30 DCEDMP C#CC[NH2+]CC1(NC(=O)c2cc(C[NH+](C)C)on2)CCOCC1 ZINC001570302957 1161556761 /nfs/dbraw/zinc/55/67/61/1161556761.db2.gz BTKDSYKEGPNDQR-UHFFFAOYSA-N 2 1 320.393 0.238 20 30 DCEDMP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC001575402926 1163999776 /nfs/dbraw/zinc/99/97/76/1163999776.db2.gz WUOCZZFYKVESED-ZNMIVQPWSA-N 2 1 321.469 0.394 20 30 DCEDMP N#Cc1cnccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001646143930 1172271401 /nfs/dbraw/zinc/27/14/01/1172271401.db2.gz YYOVWTVHMFJMJB-UHFFFAOYSA-N 2 1 311.393 0.559 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCCNC(=O)Cn1c[nH+]cc1C ZINC001660557092 1174009535 /nfs/dbraw/zinc/00/95/35/1174009535.db2.gz CFWVTXIBECIEFG-UHFFFAOYSA-N 2 1 306.410 0.670 20 30 DCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)Cn1c[nH+]cc1C ZINC001660557092 1174009539 /nfs/dbraw/zinc/00/95/39/1174009539.db2.gz CFWVTXIBECIEFG-UHFFFAOYSA-N 2 1 306.410 0.670 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001665737578 1174558758 /nfs/dbraw/zinc/55/87/58/1174558758.db2.gz LGXZIXAWOWIHAI-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001665737578 1174558762 /nfs/dbraw/zinc/55/87/62/1174558762.db2.gz LGXZIXAWOWIHAI-MRXNPFEDSA-N 2 1 307.438 0.655 20 30 DCEDMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)[NH2+]CC#CCOC ZINC001665892859 1174572602 /nfs/dbraw/zinc/57/26/02/1174572602.db2.gz IHJPEJMXRBBADN-JKSUJKDBSA-N 2 1 309.454 0.995 20 30 DCEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001672766514 1175151788 /nfs/dbraw/zinc/15/17/88/1175151788.db2.gz HIKKMKSBICRYKY-KGLIPLIRSA-N 2 1 315.845 0.898 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001673397241 1175200497 /nfs/dbraw/zinc/20/04/97/1175200497.db2.gz PRVCRVHCOKSTKD-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001676082274 1175418154 /nfs/dbraw/zinc/41/81/54/1175418154.db2.gz IXKAWEYOSDZDDV-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001676082274 1175418160 /nfs/dbraw/zinc/41/81/60/1175418160.db2.gz IXKAWEYOSDZDDV-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001676082274 1175418162 /nfs/dbraw/zinc/41/81/62/1175418162.db2.gz IXKAWEYOSDZDDV-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001676082274 1175418168 /nfs/dbraw/zinc/41/81/68/1175418168.db2.gz IXKAWEYOSDZDDV-INIZCTEOSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001677138130 1175534281 /nfs/dbraw/zinc/53/42/81/1175534281.db2.gz KVEANKDAPKWMRN-IAGOWNOFSA-N 2 1 317.433 0.722 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001677178579 1175544553 /nfs/dbraw/zinc/54/45/53/1175544553.db2.gz JFHCWQXWGOYSNL-KRWDZBQOSA-N 2 1 323.481 0.881 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001689203805 1176739987 /nfs/dbraw/zinc/73/99/87/1176739987.db2.gz BRECOZDIVPNGGU-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001689203805 1176739990 /nfs/dbraw/zinc/73/99/90/1176739990.db2.gz BRECOZDIVPNGGU-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001689203805 1176739996 /nfs/dbraw/zinc/73/99/96/1176739996.db2.gz BRECOZDIVPNGGU-SJORKVTESA-N 2 1 321.465 0.779 20 30 DCEDMP COCC#CC[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001689890957 1177106376 /nfs/dbraw/zinc/10/63/76/1177106376.db2.gz KYAYNPNBWRWLOJ-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001689890957 1177106379 /nfs/dbraw/zinc/10/63/79/1177106379.db2.gz KYAYNPNBWRWLOJ-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[NH+](C)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001689890957 1177106380 /nfs/dbraw/zinc/10/63/80/1177106380.db2.gz KYAYNPNBWRWLOJ-IYBDPMFKSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001690076121 1177162412 /nfs/dbraw/zinc/16/24/12/1177162412.db2.gz CZDOGRPKPIRTNV-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001690076121 1177162418 /nfs/dbraw/zinc/16/24/18/1177162418.db2.gz CZDOGRPKPIRTNV-QGZVFWFLSA-N 2 1 320.481 0.475 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001691997232 1177398890 /nfs/dbraw/zinc/39/88/90/1177398890.db2.gz BDQQUMOEUDBJEM-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001691997232 1177398897 /nfs/dbraw/zinc/39/88/97/1177398897.db2.gz BDQQUMOEUDBJEM-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001691997232 1177398903 /nfs/dbraw/zinc/39/89/03/1177398903.db2.gz BDQQUMOEUDBJEM-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001691997232 1177398910 /nfs/dbraw/zinc/39/89/10/1177398910.db2.gz BDQQUMOEUDBJEM-CVEARBPZSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001691997234 1177399926 /nfs/dbraw/zinc/39/99/26/1177399926.db2.gz BDQQUMOEUDBJEM-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001691997234 1177399936 /nfs/dbraw/zinc/39/99/36/1177399936.db2.gz BDQQUMOEUDBJEM-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001691997234 1177399945 /nfs/dbraw/zinc/39/99/45/1177399945.db2.gz BDQQUMOEUDBJEM-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001691997234 1177399952 /nfs/dbraw/zinc/39/99/52/1177399952.db2.gz BDQQUMOEUDBJEM-HOTGVXAUSA-N 2 1 307.438 0.511 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692046048 1177409081 /nfs/dbraw/zinc/40/90/81/1177409081.db2.gz IDMDEGUIONEKRJ-INIZCTEOSA-N 2 1 307.438 0.391 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001698829227 1177685257 /nfs/dbraw/zinc/68/52/57/1177685257.db2.gz OWCMUGJVBYZUFG-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001699878046 1178327004 /nfs/dbraw/zinc/32/70/04/1178327004.db2.gz LFFIERAESFISAI-GOSISDBHSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001699878046 1178327012 /nfs/dbraw/zinc/32/70/12/1178327012.db2.gz LFFIERAESFISAI-GOSISDBHSA-N 2 1 321.465 0.950 20 30 DCEDMP C=CCOCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001699987859 1178407255 /nfs/dbraw/zinc/40/72/55/1178407255.db2.gz RGCVOAWNOQKAFJ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001699987859 1178407257 /nfs/dbraw/zinc/40/72/57/1178407257.db2.gz RGCVOAWNOQKAFJ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001699987859 1178407262 /nfs/dbraw/zinc/40/72/62/1178407262.db2.gz RGCVOAWNOQKAFJ-OWCLPIDISA-N 2 1 307.438 0.673 20 30 DCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001700027966 1178444276 /nfs/dbraw/zinc/44/42/76/1178444276.db2.gz RPPWJDIVXIQCIO-KRWDZBQOSA-N 2 1 321.465 0.827 20 30 DCEDMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001700170014 1178514924 /nfs/dbraw/zinc/51/49/24/1178514924.db2.gz GIOADEZIYKLZQV-OAHLLOKOSA-N 2 1 307.442 0.070 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001700170014 1178514927 /nfs/dbraw/zinc/51/49/27/1178514927.db2.gz GIOADEZIYKLZQV-OAHLLOKOSA-N 2 1 307.442 0.070 20 30 DCEDMP C#CCNC(=O)C[NH+](C)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001712991505 1180615296 /nfs/dbraw/zinc/61/52/96/1180615296.db2.gz SPDPSJNKDYYWHH-GASCZTMLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001712991505 1180615300 /nfs/dbraw/zinc/61/53/00/1180615300.db2.gz SPDPSJNKDYYWHH-GASCZTMLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001712991505 1180615303 /nfs/dbraw/zinc/61/53/03/1180615303.db2.gz SPDPSJNKDYYWHH-GASCZTMLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001713206168 1180719110 /nfs/dbraw/zinc/71/91/10/1180719110.db2.gz HOGNXAOQBYPQCF-VBQJREDUSA-N 2 1 320.437 0.011 20 30 DCEDMP COCC#CC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001713290388 1180752651 /nfs/dbraw/zinc/75/26/51/1180752651.db2.gz HBCWTCFKCYOLGC-KLAILNCOSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001713357183 1180783560 /nfs/dbraw/zinc/78/35/60/1180783560.db2.gz RYGOAGUEONOXIA-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001713519623 1180893349 /nfs/dbraw/zinc/89/33/49/1180893349.db2.gz FGOYRBQIBXLUOZ-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001713519623 1180893357 /nfs/dbraw/zinc/89/33/57/1180893357.db2.gz FGOYRBQIBXLUOZ-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713519623 1180893370 /nfs/dbraw/zinc/89/33/70/1180893370.db2.gz FGOYRBQIBXLUOZ-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713519623 1180893375 /nfs/dbraw/zinc/89/33/75/1180893375.db2.gz FGOYRBQIBXLUOZ-LSDHHAIUSA-N 2 1 322.453 0.045 20 30 DCEDMP CC#CCN1CC[NH+](CCCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001713801547 1181077574 /nfs/dbraw/zinc/07/75/74/1181077574.db2.gz PCJOOKKHNWXXBV-KRWDZBQOSA-N 2 1 320.481 0.475 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001714014352 1181201198 /nfs/dbraw/zinc/20/11/98/1181201198.db2.gz UZSGPIPKXAVQEA-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001714014352 1181201201 /nfs/dbraw/zinc/20/12/01/1181201201.db2.gz UZSGPIPKXAVQEA-AWEZNQCLSA-N 2 1 310.442 0.163 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714117760 1181252627 /nfs/dbraw/zinc/25/26/27/1181252627.db2.gz CRQQFJNUKSWAGP-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714117760 1181252621 /nfs/dbraw/zinc/25/26/21/1181252621.db2.gz CRQQFJNUKSWAGP-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714117760 1181252630 /nfs/dbraw/zinc/25/26/30/1181252630.db2.gz CRQQFJNUKSWAGP-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714117760 1181252635 /nfs/dbraw/zinc/25/26/35/1181252635.db2.gz CRQQFJNUKSWAGP-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001714256869 1181298091 /nfs/dbraw/zinc/29/80/91/1181298091.db2.gz SZICGPHHKCRTJK-OCCSQVGLSA-N 2 1 319.409 0.073 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715028214 1181658055 /nfs/dbraw/zinc/65/80/55/1181658055.db2.gz YOBZPHPOVVPYEW-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715028214 1181658063 /nfs/dbraw/zinc/65/80/63/1181658063.db2.gz YOBZPHPOVVPYEW-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001715203408 1181716541 /nfs/dbraw/zinc/71/65/41/1181716541.db2.gz GUCRTUCXVVUNHW-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001715203408 1181716546 /nfs/dbraw/zinc/71/65/46/1181716546.db2.gz GUCRTUCXVVUNHW-QGZVFWFLSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001715374550 1181794264 /nfs/dbraw/zinc/79/42/64/1181794264.db2.gz JIAVAXPRCALVHV-CHWSQXEVSA-N 2 1 321.425 0.319 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCOC1 ZINC001716307489 1182322359 /nfs/dbraw/zinc/32/23/59/1182322359.db2.gz YIJCIYYAOHEAKQ-WNEUIUNWSA-N 2 1 305.422 0.383 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCOC1 ZINC001716307489 1182322366 /nfs/dbraw/zinc/32/23/66/1182322366.db2.gz YIJCIYYAOHEAKQ-WNEUIUNWSA-N 2 1 305.422 0.383 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001716482930 1182408195 /nfs/dbraw/zinc/40/81/95/1182408195.db2.gz UUWPCKFAOARORX-ZDUSSCGKSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001716482930 1182408199 /nfs/dbraw/zinc/40/81/99/1182408199.db2.gz UUWPCKFAOARORX-ZDUSSCGKSA-N 2 1 310.442 0.209 20 30 DCEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001716920100 1182575050 /nfs/dbraw/zinc/57/50/50/1182575050.db2.gz NYCUSIUNIHILHY-ZBFHGGJFSA-N 2 1 313.417 0.243 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001717157587 1182699667 /nfs/dbraw/zinc/69/96/67/1182699667.db2.gz QPMSFUJONGVVCT-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001717202003 1182730268 /nfs/dbraw/zinc/73/02/68/1182730268.db2.gz MMGCJRHCGZDFSF-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001717839298 1183025925 /nfs/dbraw/zinc/02/59/25/1183025925.db2.gz FWRJNWQZKCCWOH-WBVHZDCISA-N 2 1 305.422 0.455 20 30 DCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001717839298 1183025930 /nfs/dbraw/zinc/02/59/30/1183025930.db2.gz FWRJNWQZKCCWOH-WBVHZDCISA-N 2 1 305.422 0.455 20 30 DCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001717939331 1183078211 /nfs/dbraw/zinc/07/82/11/1183078211.db2.gz FDMXJLSLJKEBNE-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001717939331 1183078215 /nfs/dbraw/zinc/07/82/15/1183078215.db2.gz FDMXJLSLJKEBNE-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001717939331 1183078219 /nfs/dbraw/zinc/07/82/19/1183078219.db2.gz FDMXJLSLJKEBNE-HOTGVXAUSA-N 2 1 309.454 0.635 20 30 DCEDMP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717942762 1183081599 /nfs/dbraw/zinc/08/15/99/1183081599.db2.gz CCHWSYARLVMWKM-HNNXBMFYSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001723940009 1184362666 /nfs/dbraw/zinc/36/26/66/1184362666.db2.gz NPMJAJMKXKOZEA-CABCVRRESA-N 2 1 300.406 0.968 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2C)C1 ZINC001724426199 1184439203 /nfs/dbraw/zinc/43/92/03/1184439203.db2.gz FHSWNSWIGBDJKS-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001724426199 1184439207 /nfs/dbraw/zinc/43/92/07/1184439207.db2.gz FHSWNSWIGBDJKS-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001724426199 1184439212 /nfs/dbraw/zinc/43/92/12/1184439212.db2.gz FHSWNSWIGBDJKS-INIZCTEOSA-N 2 1 306.410 0.711 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001724534901 1184460585 /nfs/dbraw/zinc/46/05/85/1184460585.db2.gz VRNFGAIWLOGOOZ-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001725004910 1184653862 /nfs/dbraw/zinc/65/38/62/1184653862.db2.gz ZTNBBFCVFXCSKJ-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001725021824 1184660749 /nfs/dbraw/zinc/66/07/49/1184660749.db2.gz NJLLNCKZLABLKC-GASCZTMLSA-N 2 1 309.454 0.988 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)CC#CCOC)CC1 ZINC001725424427 1184816342 /nfs/dbraw/zinc/81/63/42/1184816342.db2.gz JCKXMZXZKODSIX-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)CC#CCOC)CC1 ZINC001725424427 1184816346 /nfs/dbraw/zinc/81/63/46/1184816346.db2.gz JCKXMZXZKODSIX-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)CC#CCOC)CC1 ZINC001725424427 1184816353 /nfs/dbraw/zinc/81/63/53/1184816353.db2.gz JCKXMZXZKODSIX-UHFFFAOYSA-N 2 1 309.454 0.901 20 30 DCEDMP COCC#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001725612318 1184910877 /nfs/dbraw/zinc/91/08/77/1184910877.db2.gz VHIZOAUNICTGNB-DOTOQJQBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCOC)C(C)(C)C1 ZINC001725663277 1184932127 /nfs/dbraw/zinc/93/21/27/1184932127.db2.gz KIYOHFOKHJIYMQ-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCOC)C(C)(C)C1 ZINC001725663277 1184932131 /nfs/dbraw/zinc/93/21/31/1184932131.db2.gz KIYOHFOKHJIYMQ-GJZGRUSLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725725128 1184974622 /nfs/dbraw/zinc/97/46/22/1184974622.db2.gz SQANTHYCHZEWIX-SJORKVTESA-N 2 1 317.433 0.674 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001725725128 1184974626 /nfs/dbraw/zinc/97/46/26/1184974626.db2.gz SQANTHYCHZEWIX-SJORKVTESA-N 2 1 317.433 0.674 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001725754752 1184983186 /nfs/dbraw/zinc/98/31/86/1184983186.db2.gz IEHVFIPVWCNITH-HUUCEWRRSA-N 2 1 309.454 0.708 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001731366366 1185298845 /nfs/dbraw/zinc/29/88/45/1185298845.db2.gz ZGLKGPOIOSCSSR-INIZCTEOSA-N 2 1 308.470 0.781 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001731458060 1185342390 /nfs/dbraw/zinc/34/23/90/1185342390.db2.gz SKDNIHQULNNKDO-MGPQQGTHSA-N 2 1 304.394 0.475 20 30 DCEDMP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001731528694 1185375371 /nfs/dbraw/zinc/37/53/71/1185375371.db2.gz GZFGIYKPCCJCTF-CVEARBPZSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001731670696 1185438256 /nfs/dbraw/zinc/43/82/56/1185438256.db2.gz FCAFUNAMVFVTPE-GJZGRUSLSA-N 2 1 300.406 0.825 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001731784131 1185485651 /nfs/dbraw/zinc/48/56/51/1185485651.db2.gz VNKFEVIQUIUIBT-ZDUSSCGKSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001731784131 1185485674 /nfs/dbraw/zinc/48/56/74/1185485674.db2.gz VNKFEVIQUIUIBT-ZDUSSCGKSA-N 2 1 310.442 0.067 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001732463443 1185827034 /nfs/dbraw/zinc/82/70/34/1185827034.db2.gz MIVYSMYKCDHRSW-CVEARBPZSA-N 2 1 309.454 0.851 20 30 DCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001732658449 1185902012 /nfs/dbraw/zinc/90/20/12/1185902012.db2.gz OVZCYKQTDGZWGK-DOMZBBRYSA-N 2 1 301.406 0.452 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001732999666 1186097627 /nfs/dbraw/zinc/09/76/27/1186097627.db2.gz WTNFFHYXLRKHAZ-DZGCQCFKSA-N 2 1 322.453 0.352 20 30 DCEDMP C#CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001733473052 1186282620 /nfs/dbraw/zinc/28/26/20/1186282620.db2.gz NCPJVJTXOXCYLI-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001733501456 1186310822 /nfs/dbraw/zinc/31/08/22/1186310822.db2.gz GXAWIXAIBXBRBP-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001733501456 1186310831 /nfs/dbraw/zinc/31/08/31/1186310831.db2.gz GXAWIXAIBXBRBP-HNNXBMFYSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001752375580 1188419405 /nfs/dbraw/zinc/41/94/05/1188419405.db2.gz QFCWKPXHFKPTBC-IRXDYDNUSA-N 2 1 320.481 0.474 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001752526387 1188426996 /nfs/dbraw/zinc/42/69/96/1188426996.db2.gz UFOYDKJWTWHFJN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001752526387 1188426997 /nfs/dbraw/zinc/42/69/97/1188426997.db2.gz UFOYDKJWTWHFJN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001752526387 1188426998 /nfs/dbraw/zinc/42/69/98/1188426998.db2.gz UFOYDKJWTWHFJN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001752526387 1188427000 /nfs/dbraw/zinc/42/70/00/1188427000.db2.gz UFOYDKJWTWHFJN-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001752740773 1188435956 /nfs/dbraw/zinc/43/59/56/1188435956.db2.gz HUWOYUPCXSAXNY-IXDOHACOSA-N 2 1 321.465 0.993 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753709426 1188644745 /nfs/dbraw/zinc/64/47/45/1188644745.db2.gz YHAVMRCXNKHDIB-ZNMIVQPWSA-N 2 1 324.469 0.455 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CCCCC1 ZINC001753749165 1188650537 /nfs/dbraw/zinc/65/05/37/1188650537.db2.gz DMRPGXUCUJDSKK-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CCCCC1 ZINC001753749165 1188650541 /nfs/dbraw/zinc/65/05/41/1188650541.db2.gz DMRPGXUCUJDSKK-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001754595746 1188886693 /nfs/dbraw/zinc/88/66/93/1188886693.db2.gz BCVVOKFMHQFVRZ-GOEBONIOSA-N 2 1 318.421 0.810 20 30 DCEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001754712626 1188910191 /nfs/dbraw/zinc/91/01/91/1188910191.db2.gz NEWMXFSPEDMHBZ-QGZVFWFLSA-N 2 1 318.421 0.670 20 30 DCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001754759454 1188926267 /nfs/dbraw/zinc/92/62/67/1188926267.db2.gz MCHGKKHPVSBGOR-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001754861727 1188953740 /nfs/dbraw/zinc/95/37/40/1188953740.db2.gz NVAGGPJORXOQGO-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001754861727 1188953741 /nfs/dbraw/zinc/95/37/41/1188953741.db2.gz NVAGGPJORXOQGO-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001754861727 1188953744 /nfs/dbraw/zinc/95/37/44/1188953744.db2.gz NVAGGPJORXOQGO-WBVHZDCISA-N 2 1 309.454 0.847 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001755189415 1189051322 /nfs/dbraw/zinc/05/13/22/1189051322.db2.gz PIXXDZJXZWHWDS-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001755189415 1189051326 /nfs/dbraw/zinc/05/13/26/1189051326.db2.gz PIXXDZJXZWHWDS-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001755189415 1189051330 /nfs/dbraw/zinc/05/13/30/1189051330.db2.gz PIXXDZJXZWHWDS-HOTGVXAUSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001755481833 1189123950 /nfs/dbraw/zinc/12/39/50/1189123950.db2.gz XQEPAZNVWMLPEU-RBSFLKMASA-N 2 1 322.453 0.115 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCC)CC1 ZINC001755807561 1189226411 /nfs/dbraw/zinc/22/64/11/1189226411.db2.gz ILJYRWNUOFZWDJ-INIZCTEOSA-N 2 1 309.454 0.493 20 30 DCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553122 751441748 /nfs/dbraw/zinc/44/17/48/751441748.db2.gz BUCXWJJIQULMFA-ARFHVFGLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553122 751441753 /nfs/dbraw/zinc/44/17/53/751441753.db2.gz BUCXWJJIQULMFA-ARFHVFGLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553122 751441756 /nfs/dbraw/zinc/44/17/56/751441756.db2.gz BUCXWJJIQULMFA-ARFHVFGLSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127680266 751624832 /nfs/dbraw/zinc/62/48/32/751624832.db2.gz UWUNFYIJFQMWPY-ZDUSSCGKSA-N 2 1 321.425 0.405 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+](C)C(C)C)nn2)C1 ZINC001107238753 751969866 /nfs/dbraw/zinc/96/98/66/751969866.db2.gz OAUCLLGECFFDJQ-UHFFFAOYSA-N 2 1 320.441 0.667 20 30 DCEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+](C)C(C)C)nn2)C1 ZINC001107238753 751969868 /nfs/dbraw/zinc/96/98/68/751969868.db2.gz OAUCLLGECFFDJQ-UHFFFAOYSA-N 2 1 320.441 0.667 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232939 747031668 /nfs/dbraw/zinc/03/16/68/747031668.db2.gz VCNOSVDDCXHFAS-MRXNPFEDSA-N 2 1 321.465 0.854 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001167460481 747253640 /nfs/dbraw/zinc/25/36/40/747253640.db2.gz CPBBCCUJQGSEHV-UHFFFAOYSA-N 2 1 307.438 0.608 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757219 749978856 /nfs/dbraw/zinc/97/88/56/749978856.db2.gz NYHLZLRYRMKKJL-XTCFQUFBSA-N 2 1 317.433 0.452 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757219 749978859 /nfs/dbraw/zinc/97/88/59/749978859.db2.gz NYHLZLRYRMKKJL-XTCFQUFBSA-N 2 1 317.433 0.452 20 30 DCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757219 749978863 /nfs/dbraw/zinc/97/88/63/749978863.db2.gz NYHLZLRYRMKKJL-XTCFQUFBSA-N 2 1 317.433 0.452 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083505949 750054680 /nfs/dbraw/zinc/05/46/80/750054680.db2.gz KAAQSAKSHIOICM-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505949 750054682 /nfs/dbraw/zinc/05/46/82/750054682.db2.gz KAAQSAKSHIOICM-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505949 750054686 /nfs/dbraw/zinc/05/46/86/750054686.db2.gz KAAQSAKSHIOICM-OAGGEKHMSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)OC)[C@@H]2C)CC1 ZINC001089059333 750781505 /nfs/dbraw/zinc/78/15/05/750781505.db2.gz IOGBOZAGTGLXID-INMHGKMJSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719786 751031352 /nfs/dbraw/zinc/03/13/52/751031352.db2.gz WFCBXBKFVTXJOP-OAGGEKHMSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719786 751031360 /nfs/dbraw/zinc/03/13/60/751031360.db2.gz WFCBXBKFVTXJOP-OAGGEKHMSA-N 2 1 307.438 0.293 20 30 DCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455414 751154150 /nfs/dbraw/zinc/15/41/50/751154150.db2.gz SFBNGPZEQCBNTK-HCBPCCMXSA-N 2 1 319.449 0.720 20 30 DCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767893 751271108 /nfs/dbraw/zinc/27/11/08/751271108.db2.gz YQJCDCSWXMDLKR-HZPDHXFCSA-N 2 1 309.454 0.969 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089350258 751273752 /nfs/dbraw/zinc/27/37/52/751273752.db2.gz GNKPNIKSQSAELN-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089350258 751273756 /nfs/dbraw/zinc/27/37/56/751273756.db2.gz GNKPNIKSQSAELN-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350258 751273762 /nfs/dbraw/zinc/27/37/62/751273762.db2.gz GNKPNIKSQSAELN-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089350258 751273767 /nfs/dbraw/zinc/27/37/67/751273767.db2.gz GNKPNIKSQSAELN-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077777418 752519561 /nfs/dbraw/zinc/51/95/61/752519561.db2.gz LBFNKASTAREKLT-ARFHVFGLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077777418 752519564 /nfs/dbraw/zinc/51/95/64/752519564.db2.gz LBFNKASTAREKLT-ARFHVFGLSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045663974 753284695 /nfs/dbraw/zinc/28/46/95/753284695.db2.gz UDBBKXKBQMVJPH-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010070 753412388 /nfs/dbraw/zinc/41/23/88/753412388.db2.gz HSSUCKWYKUFPFH-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010070 753412390 /nfs/dbraw/zinc/41/23/90/753412390.db2.gz HSSUCKWYKUFPFH-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046010070 753412392 /nfs/dbraw/zinc/41/23/92/753412392.db2.gz HSSUCKWYKUFPFH-IAGOWNOFSA-N 2 1 318.465 0.322 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046062531 753456193 /nfs/dbraw/zinc/45/61/93/753456193.db2.gz UFYJFJBZUKLENV-DLBZAZTESA-N 2 1 322.497 0.977 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046063686 753457397 /nfs/dbraw/zinc/45/73/97/753457397.db2.gz UUHZBEVDCKEIIE-SJORKVTESA-N 2 1 320.481 0.568 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046082236 753471534 /nfs/dbraw/zinc/47/15/34/753471534.db2.gz PFCVDFLBFLTUCF-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082236 753471544 /nfs/dbraw/zinc/47/15/44/753471544.db2.gz PFCVDFLBFLTUCF-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082236 753471553 /nfs/dbraw/zinc/47/15/53/753471553.db2.gz PFCVDFLBFLTUCF-IAGOWNOFSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001046850518 753980697 /nfs/dbraw/zinc/98/06/97/753980697.db2.gz VLNMXLUASQARKF-RHSMWYFYSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001047549163 754381650 /nfs/dbraw/zinc/38/16/50/754381650.db2.gz RBTIXLYRURDDGD-GJZGRUSLSA-N 2 1 318.421 0.533 20 30 DCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001047549163 754381656 /nfs/dbraw/zinc/38/16/56/754381656.db2.gz RBTIXLYRURDDGD-GJZGRUSLSA-N 2 1 318.421 0.533 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083863978 754449130 /nfs/dbraw/zinc/44/91/30/754449130.db2.gz RGKXICXXZLPNBG-SJORKVTESA-N 2 1 315.417 0.546 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)Cn3cnc4c3CCCC4)C[C@H]2C1 ZINC001048939921 755031149 /nfs/dbraw/zinc/03/11/49/755031149.db2.gz QFGHPYMMUIVDKZ-GASCZTMLSA-N 2 1 312.417 0.785 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2C1 ZINC001048939921 755031151 /nfs/dbraw/zinc/03/11/51/755031151.db2.gz QFGHPYMMUIVDKZ-GASCZTMLSA-N 2 1 312.417 0.785 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049013878 755075446 /nfs/dbraw/zinc/07/54/46/755075446.db2.gz VBYKKPWEZJEHOC-HRCADAONSA-N 2 1 312.417 0.777 20 30 DCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049013878 755075450 /nfs/dbraw/zinc/07/54/50/755075450.db2.gz VBYKKPWEZJEHOC-HRCADAONSA-N 2 1 312.417 0.777 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)O)CC1 ZINC001096608282 755459177 /nfs/dbraw/zinc/45/91/77/755459177.db2.gz UMHWMOCFXOYSEW-SIXLDLHFSA-N 2 1 319.449 0.434 20 30 DCEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001053698694 756151572 /nfs/dbraw/zinc/15/15/72/756151572.db2.gz SJFBDZLNRJESHP-GJZGRUSLSA-N 2 1 307.438 0.864 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392454 757355864 /nfs/dbraw/zinc/35/58/64/757355864.db2.gz SORKAECRWLZTBF-LSDHHAIUSA-N 2 1 307.438 0.742 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1 ZINC001083168877 757541136 /nfs/dbraw/zinc/54/11/36/757541136.db2.gz RGVLBWSWTYQDCT-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001083168877 757541139 /nfs/dbraw/zinc/54/11/39/757541139.db2.gz RGVLBWSWTYQDCT-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168877 757541145 /nfs/dbraw/zinc/54/11/45/757541145.db2.gz RGVLBWSWTYQDCT-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168877 757541148 /nfs/dbraw/zinc/54/11/48/757541148.db2.gz RGVLBWSWTYQDCT-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349740 757797518 /nfs/dbraw/zinc/79/75/18/757797518.db2.gz YRXOGAZJNQIFCW-IXDOHACOSA-N 2 1 301.434 0.884 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036179 759131959 /nfs/dbraw/zinc/13/19/59/759131959.db2.gz HDLVFJONAHKWJO-IAGOWNOFSA-N 2 1 320.481 0.731 20 30 DCEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052075992 759160831 /nfs/dbraw/zinc/16/08/31/759160831.db2.gz FMVGJRZZXIOUNX-IAGOWNOFSA-N 2 1 322.497 0.977 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001108215854 759406303 /nfs/dbraw/zinc/40/63/03/759406303.db2.gz LLOAGKBIZPBXCG-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108215854 759406307 /nfs/dbraw/zinc/40/63/07/759406307.db2.gz LLOAGKBIZPBXCG-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215854 759406310 /nfs/dbraw/zinc/40/63/10/759406310.db2.gz LLOAGKBIZPBXCG-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215854 759406312 /nfs/dbraw/zinc/40/63/12/759406312.db2.gz LLOAGKBIZPBXCG-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086331618 760037456 /nfs/dbraw/zinc/03/74/56/760037456.db2.gz APPOXDJKUZYMKZ-JHJVBQTASA-N 2 1 301.818 0.554 20 30 DCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086331618 760037466 /nfs/dbraw/zinc/03/74/66/760037466.db2.gz APPOXDJKUZYMKZ-JHJVBQTASA-N 2 1 301.818 0.554 20 30 DCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226307 767941854 /nfs/dbraw/zinc/94/18/54/767941854.db2.gz BRNWCFLYSLUCGK-MRXNPFEDSA-N 2 1 321.465 0.757 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344866 760418930 /nfs/dbraw/zinc/41/89/30/760418930.db2.gz VICMLFRSNNHYFV-MRXNPFEDSA-N 2 1 305.422 0.313 20 30 DCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344866 760418933 /nfs/dbraw/zinc/41/89/33/760418933.db2.gz VICMLFRSNNHYFV-MRXNPFEDSA-N 2 1 305.422 0.313 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108401151 760471523 /nfs/dbraw/zinc/47/15/23/760471523.db2.gz OFLOEWWTPOKJOP-MRXNPFEDSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108401151 760471526 /nfs/dbraw/zinc/47/15/26/760471526.db2.gz OFLOEWWTPOKJOP-MRXNPFEDSA-N 2 1 306.410 0.975 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169808054 760867633 /nfs/dbraw/zinc/86/76/33/760867633.db2.gz AXULEXNOZMCOBC-HUUCEWRRSA-N 2 1 322.453 0.095 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671650 761504464 /nfs/dbraw/zinc/50/44/64/761504464.db2.gz VQPANSJGKHGNLL-IKGGRYGDSA-N 2 1 319.449 0.700 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671650 761504469 /nfs/dbraw/zinc/50/44/69/761504469.db2.gz VQPANSJGKHGNLL-IKGGRYGDSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902498 761601217 /nfs/dbraw/zinc/60/12/17/761601217.db2.gz MUTOQNUHPBLOBD-KBMXLJTQSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902498 761601222 /nfs/dbraw/zinc/60/12/22/761601222.db2.gz MUTOQNUHPBLOBD-KBMXLJTQSA-N 2 1 305.422 0.452 20 30 DCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099592673 762908634 /nfs/dbraw/zinc/90/86/34/762908634.db2.gz HTZFWOZQGGDXPV-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099592673 762908637 /nfs/dbraw/zinc/90/86/37/762908637.db2.gz HTZFWOZQGGDXPV-CVEARBPZSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685412 762987280 /nfs/dbraw/zinc/98/72/80/762987280.db2.gz RLXHRVXMSBKHQV-ILXRZTDVSA-N 2 1 318.425 0.290 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)cn1 ZINC001129763370 763002675 /nfs/dbraw/zinc/00/26/75/763002675.db2.gz ZVTSBWHAYSPVGH-HNNXBMFYSA-N 2 1 304.369 0.524 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)cn1 ZINC001129763370 763002680 /nfs/dbraw/zinc/00/26/80/763002680.db2.gz ZVTSBWHAYSPVGH-HNNXBMFYSA-N 2 1 304.369 0.524 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099874181 763091478 /nfs/dbraw/zinc/09/14/78/763091478.db2.gz HFAGOQRYVDDPMW-GJZGRUSLSA-N 2 1 309.454 0.988 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938439 763143764 /nfs/dbraw/zinc/14/37/64/763143764.db2.gz WASNFCGTOLVUEP-CVEARBPZSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099985502 763189153 /nfs/dbraw/zinc/18/91/53/763189153.db2.gz CXRFUBVUKRZMFB-JKSUJKDBSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013311 763216371 /nfs/dbraw/zinc/21/63/71/763216371.db2.gz LGDDIQPATHVBCW-HUUCEWRRSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013311 763216379 /nfs/dbraw/zinc/21/63/79/763216379.db2.gz LGDDIQPATHVBCW-HUUCEWRRSA-N 2 1 309.454 0.539 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013311 763216385 /nfs/dbraw/zinc/21/63/85/763216385.db2.gz LGDDIQPATHVBCW-HUUCEWRRSA-N 2 1 309.454 0.539 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100035022 763239745 /nfs/dbraw/zinc/23/97/45/763239745.db2.gz XAJZPCRGIFVMRY-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100035022 763239753 /nfs/dbraw/zinc/23/97/53/763239753.db2.gz XAJZPCRGIFVMRY-CABCVRRESA-N 2 1 306.410 0.709 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090491123 763433667 /nfs/dbraw/zinc/43/36/67/763433667.db2.gz XMHCJPJRJXMQBN-HUUCEWRRSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130719341 763458306 /nfs/dbraw/zinc/45/83/06/763458306.db2.gz KLDYCXSAUXXSFO-GOEBONIOSA-N 2 1 319.453 0.832 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681682 763935596 /nfs/dbraw/zinc/93/55/96/763935596.db2.gz GIVZIMFDKLBZDZ-NVXWUHKLSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291614 765494541 /nfs/dbraw/zinc/49/45/41/765494541.db2.gz RSKURMYWTNAECH-BQFCYCMXSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291614 765494544 /nfs/dbraw/zinc/49/45/44/765494544.db2.gz RSKURMYWTNAECH-BQFCYCMXSA-N 2 1 319.449 0.559 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546234 765755731 /nfs/dbraw/zinc/75/57/31/765755731.db2.gz HUDJELQEZWRWRS-HOTGVXAUSA-N 2 1 319.449 0.892 20 30 DCEDMP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135029748 765770825 /nfs/dbraw/zinc/77/08/25/765770825.db2.gz RICCQHVJSCJQAH-KGLIPLIRSA-N 2 1 306.410 0.714 20 30 DCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090610888 766373181 /nfs/dbraw/zinc/37/31/81/766373181.db2.gz WOTMRKWKGNBOPJ-JKSUJKDBSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)C)C[C@@H]2O)CC1 ZINC001090830801 766649105 /nfs/dbraw/zinc/64/91/05/766649105.db2.gz OWHQSIZRQLAZSQ-HOTGVXAUSA-N 2 1 307.438 0.291 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288885 767498956 /nfs/dbraw/zinc/49/89/56/767498956.db2.gz LFIHJFQWECHPMX-ZHIXCNEBSA-N 2 1 319.449 0.746 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288885 767498964 /nfs/dbraw/zinc/49/89/64/767498964.db2.gz LFIHJFQWECHPMX-ZHIXCNEBSA-N 2 1 319.449 0.746 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC)C1=O ZINC001161227346 768702310 /nfs/dbraw/zinc/70/23/10/768702310.db2.gz ZUVIYKOIRRXLPC-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccnc1 ZINC001230917724 768911760 /nfs/dbraw/zinc/91/17/60/768911760.db2.gz FLLVBBLOVNTBIE-KRWDZBQOSA-N 2 1 314.433 0.975 20 30 DCEDMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230917724 768911767 /nfs/dbraw/zinc/91/17/67/768911767.db2.gz FLLVBBLOVNTBIE-KRWDZBQOSA-N 2 1 314.433 0.975 20 30 DCEDMP C#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230917724 768911774 /nfs/dbraw/zinc/91/17/74/768911774.db2.gz FLLVBBLOVNTBIE-KRWDZBQOSA-N 2 1 314.433 0.975 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230917724 768911778 /nfs/dbraw/zinc/91/17/78/768911778.db2.gz FLLVBBLOVNTBIE-KRWDZBQOSA-N 2 1 314.433 0.975 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203337750 769405780 /nfs/dbraw/zinc/40/57/80/769405780.db2.gz SHTDSKRBWDFVLA-AWEZNQCLSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC#CCOC ZINC001153890970 769986995 /nfs/dbraw/zinc/98/69/95/769986995.db2.gz DCIRAXNVYUZZHE-SJORKVTESA-N 2 1 319.449 0.560 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC ZINC001153890970 769987003 /nfs/dbraw/zinc/98/70/03/769987003.db2.gz DCIRAXNVYUZZHE-SJORKVTESA-N 2 1 319.449 0.560 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC#CCOC ZINC001153890970 769987011 /nfs/dbraw/zinc/98/70/11/769987011.db2.gz DCIRAXNVYUZZHE-SJORKVTESA-N 2 1 319.449 0.560 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC#CCOC ZINC001153890970 769987021 /nfs/dbraw/zinc/98/70/21/769987021.db2.gz DCIRAXNVYUZZHE-SJORKVTESA-N 2 1 319.449 0.560 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070236 770060803 /nfs/dbraw/zinc/06/08/03/770060803.db2.gz UQWBIJUBVMKXCL-CQSZACIVSA-N 2 1 324.469 0.293 20 30 DCEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070236 770060818 /nfs/dbraw/zinc/06/08/18/770060818.db2.gz UQWBIJUBVMKXCL-CQSZACIVSA-N 2 1 324.469 0.293 20 30 DCEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154070236 770060831 /nfs/dbraw/zinc/06/08/31/770060831.db2.gz UQWBIJUBVMKXCL-CQSZACIVSA-N 2 1 324.469 0.293 20 30 DCEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154070236 770060837 /nfs/dbraw/zinc/06/08/37/770060837.db2.gz UQWBIJUBVMKXCL-CQSZACIVSA-N 2 1 324.469 0.293 20 30 DCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150588676 770096922 /nfs/dbraw/zinc/09/69/22/770096922.db2.gz QUFAGRDQECZOFA-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588676 770096932 /nfs/dbraw/zinc/09/69/32/770096932.db2.gz QUFAGRDQECZOFA-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588676 770096943 /nfs/dbraw/zinc/09/69/43/770096943.db2.gz QUFAGRDQECZOFA-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176685603 770154304 /nfs/dbraw/zinc/15/43/04/770154304.db2.gz GEKBHPQJYIWVPS-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176685603 770154315 /nfs/dbraw/zinc/15/43/15/770154315.db2.gz GEKBHPQJYIWVPS-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154381755 770163195 /nfs/dbraw/zinc/16/31/95/770163195.db2.gz STNJJDDXMMWNFN-JBCIKUTRSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374369 770801374 /nfs/dbraw/zinc/80/13/74/770801374.db2.gz PKQXOGCCIASKNJ-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374369 770801381 /nfs/dbraw/zinc/80/13/81/770801381.db2.gz PKQXOGCCIASKNJ-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374369 770801390 /nfs/dbraw/zinc/80/13/90/770801390.db2.gz PKQXOGCCIASKNJ-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374369 770801403 /nfs/dbraw/zinc/80/14/03/770801403.db2.gz PKQXOGCCIASKNJ-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001180135178 771060913 /nfs/dbraw/zinc/06/09/13/771060913.db2.gz BIDHGQRLVVQWHX-PMPSAXMXSA-N 2 1 307.438 0.557 20 30 DCEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009012 771217822 /nfs/dbraw/zinc/21/78/22/771217822.db2.gz OPGJBCAZABKSSV-BFYDXBDKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009012 771217825 /nfs/dbraw/zinc/21/78/25/771217825.db2.gz OPGJBCAZABKSSV-BFYDXBDKSA-N 2 1 309.454 0.967 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183738586 771695771 /nfs/dbraw/zinc/69/57/71/771695771.db2.gz LYCYPHBOEZYTSU-ZIAGYGMSSA-N 2 1 324.469 0.598 20 30 DCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183765236 771698822 /nfs/dbraw/zinc/69/88/22/771698822.db2.gz QXDRNQHFPDEJGT-UONOGXRCSA-N 2 1 322.453 0.045 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185157725 771878113 /nfs/dbraw/zinc/87/81/13/771878113.db2.gz ICNAGZKNMPWYNL-HRCADAONSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159837161 771967073 /nfs/dbraw/zinc/96/70/73/771967073.db2.gz BBCDZMXBTXCTOA-MRXNPFEDSA-N 2 1 309.454 0.710 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nccn1C ZINC001160198305 772007825 /nfs/dbraw/zinc/00/78/25/772007825.db2.gz ZNYBMZYHWZJXEY-AWEZNQCLSA-N 2 1 303.410 0.114 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nccn1C ZINC001160198305 772007828 /nfs/dbraw/zinc/00/78/28/772007828.db2.gz ZNYBMZYHWZJXEY-AWEZNQCLSA-N 2 1 303.410 0.114 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC(F)F ZINC001160198202 772007899 /nfs/dbraw/zinc/00/78/99/772007899.db2.gz WZDKIQOGKUIODO-ZDUSSCGKSA-N 2 1 317.380 0.462 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC(F)F ZINC001160198202 772007903 /nfs/dbraw/zinc/00/79/03/772007903.db2.gz WZDKIQOGKUIODO-ZDUSSCGKSA-N 2 1 317.380 0.462 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C(C)C ZINC001160198315 772008483 /nfs/dbraw/zinc/00/84/83/772008483.db2.gz ZTOGZVBMBIJSTK-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C(C)C ZINC001160198315 772008491 /nfs/dbraw/zinc/00/84/91/772008491.db2.gz ZTOGZVBMBIJSTK-HNNXBMFYSA-N 2 1 322.453 0.047 20 30 DCEDMP CCc1nc(C#N)c(C#N)nc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160521367 772057001 /nfs/dbraw/zinc/05/70/01/772057001.db2.gz ZTKMONZZNQPLFZ-INIZCTEOSA-N 2 1 311.393 0.617 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161051801 772159438 /nfs/dbraw/zinc/15/94/38/772159438.db2.gz BUXWAJLSOZMFMK-KBPBESRZSA-N 2 1 310.442 0.257 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786648 772532886 /nfs/dbraw/zinc/53/28/86/772532886.db2.gz HCCFBJOZHKTODJ-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786648 772532889 /nfs/dbraw/zinc/53/28/89/772532889.db2.gz HCCFBJOZHKTODJ-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786648 772532893 /nfs/dbraw/zinc/53/28/93/772532893.db2.gz HCCFBJOZHKTODJ-YESZJQIVSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646121 772657689 /nfs/dbraw/zinc/65/76/89/772657689.db2.gz XKGGTKSDCRILOK-HNNXBMFYSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675352 772663059 /nfs/dbraw/zinc/66/30/59/772663059.db2.gz KYBIFMBABABERC-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675352 772663064 /nfs/dbraw/zinc/66/30/64/772663064.db2.gz KYBIFMBABABERC-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675352 772663068 /nfs/dbraw/zinc/66/30/68/772663068.db2.gz KYBIFMBABABERC-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675352 772663070 /nfs/dbraw/zinc/66/30/70/772663070.db2.gz KYBIFMBABABERC-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164596792 772686972 /nfs/dbraw/zinc/68/69/72/772686972.db2.gz RXDDUMCMEQDGTK-JKSUJKDBSA-N 2 1 319.449 0.749 20 30 DCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001205457752 772993817 /nfs/dbraw/zinc/99/38/17/772993817.db2.gz OEMUKWDOHFRPGH-INIZCTEOSA-N 2 1 319.453 0.828 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)COC)CC1 ZINC001205479473 772994642 /nfs/dbraw/zinc/99/46/42/772994642.db2.gz NUIQPELDSROMKA-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)COC)CC1 ZINC001205479473 772994644 /nfs/dbraw/zinc/99/46/44/772994644.db2.gz NUIQPELDSROMKA-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024453 772997103 /nfs/dbraw/zinc/99/71/03/772997103.db2.gz ZABIXKOARLXNTO-ARFHVFGLSA-N 2 1 307.438 0.456 20 30 DCEDMP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026740 773140234 /nfs/dbraw/zinc/14/02/34/773140234.db2.gz KEYIWXBHVFXPLS-HNNXBMFYSA-N 2 1 304.394 0.374 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026740 773140238 /nfs/dbraw/zinc/14/02/38/773140238.db2.gz KEYIWXBHVFXPLS-HNNXBMFYSA-N 2 1 304.394 0.374 20 30 DCEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026668 773140810 /nfs/dbraw/zinc/14/08/10/773140810.db2.gz IDFYRYGFUSEHLZ-HNNXBMFYSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026668 773140811 /nfs/dbraw/zinc/14/08/11/773140811.db2.gz IDFYRYGFUSEHLZ-HNNXBMFYSA-N 2 1 306.410 0.927 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206952417 773146345 /nfs/dbraw/zinc/14/63/45/773146345.db2.gz ODHHWIPTIFEKLT-UHFFFAOYSA-N 2 1 324.469 0.457 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#CCOC)C[C@H]2C)CC[N@H+]1C ZINC001207000409 773159961 /nfs/dbraw/zinc/15/99/61/773159961.db2.gz DGYBRRRELZTAMW-YYIAUSFCSA-N 2 1 321.465 0.803 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194294069 773178284 /nfs/dbraw/zinc/17/82/84/773178284.db2.gz JNGGHBYJOZRGIT-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194294069 773178289 /nfs/dbraw/zinc/17/82/89/773178289.db2.gz JNGGHBYJOZRGIT-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194294069 773178293 /nfs/dbraw/zinc/17/82/93/773178293.db2.gz JNGGHBYJOZRGIT-HUUCEWRRSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001195593839 773440439 /nfs/dbraw/zinc/44/04/39/773440439.db2.gz BPSYYKBDPLOHMT-CAOSSQGBSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001195593839 773440442 /nfs/dbraw/zinc/44/04/42/773440442.db2.gz BPSYYKBDPLOHMT-CAOSSQGBSA-N 2 1 309.454 0.844 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001195593839 773440445 /nfs/dbraw/zinc/44/04/45/773440445.db2.gz BPSYYKBDPLOHMT-CAOSSQGBSA-N 2 1 309.454 0.844 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530053 773487886 /nfs/dbraw/zinc/48/78/86/773487886.db2.gz CRAHLPRXPIBLBI-BZUAXINKSA-N 2 1 309.454 0.659 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001214780289 774014046 /nfs/dbraw/zinc/01/40/46/774014046.db2.gz TYLKGYOZEYAVJB-BRWVUGGUSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215544220 774081963 /nfs/dbraw/zinc/08/19/63/774081963.db2.gz LAYKPQPXNISXPO-RRFJBIMHSA-N 2 1 322.453 0.067 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384055 774115251 /nfs/dbraw/zinc/11/52/51/774115251.db2.gz WANMOAUFOCUXKZ-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP N#Cc1c2c(sc1NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)C[NH2+]CC2 ZINC001218551370 774245011 /nfs/dbraw/zinc/24/50/11/774245011.db2.gz MSHZBANFLOBHBP-NSHDSACASA-N 2 1 316.390 0.497 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976411 774433254 /nfs/dbraw/zinc/43/32/54/774433254.db2.gz SKYFEQBBMIKRFP-OAHLLOKOSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403607 774501899 /nfs/dbraw/zinc/50/18/99/774501899.db2.gz NCZJIDUVDJUANQ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665650 774575084 /nfs/dbraw/zinc/57/50/84/774575084.db2.gz SIDGNTFGUVZTOE-KFWWJZLASA-N 2 1 318.421 0.581 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665650 774575088 /nfs/dbraw/zinc/57/50/88/774575088.db2.gz SIDGNTFGUVZTOE-KFWWJZLASA-N 2 1 318.421 0.581 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724285 774591607 /nfs/dbraw/zinc/59/16/07/774591607.db2.gz FKKOOFVSHGNHOT-MCIONIFRSA-N 2 1 301.406 0.404 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724285 774591610 /nfs/dbraw/zinc/59/16/10/774591610.db2.gz FKKOOFVSHGNHOT-MCIONIFRSA-N 2 1 301.406 0.404 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC(C)C)C[C@H]21 ZINC001114421204 774854560 /nfs/dbraw/zinc/85/45/60/774854560.db2.gz NCVQZKLSEZMJQO-VVLHAWIVSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOC(C)C)C[C@H]21 ZINC001114421204 774854572 /nfs/dbraw/zinc/85/45/72/774854572.db2.gz NCVQZKLSEZMJQO-VVLHAWIVSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOC(C)C)C[C@H]21 ZINC001114421204 774854582 /nfs/dbraw/zinc/85/45/82/774854582.db2.gz NCVQZKLSEZMJQO-VVLHAWIVSA-N 2 1 319.449 0.555 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOC(C)C)C[C@H]21 ZINC001114421204 774854590 /nfs/dbraw/zinc/85/45/90/774854590.db2.gz NCVQZKLSEZMJQO-VVLHAWIVSA-N 2 1 319.449 0.555 20 30 DCEDMP N#Cc1ccc2nc(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)cn2c1 ZINC001222104398 775272241 /nfs/dbraw/zinc/27/22/41/775272241.db2.gz FWFHHJDFZGFSFA-UHFFFAOYSA-N 2 1 310.405 0.733 20 30 DCEDMP N#Cc1ccc2nc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)cn2c1 ZINC001222104398 775272247 /nfs/dbraw/zinc/27/22/47/775272247.db2.gz FWFHHJDFZGFSFA-UHFFFAOYSA-N 2 1 310.405 0.733 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001222641402 775405615 /nfs/dbraw/zinc/40/56/15/775405615.db2.gz LARBXQILCHVJJR-OAHLLOKOSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCC[NH2+]CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001206587250 775571094 /nfs/dbraw/zinc/57/10/94/775571094.db2.gz AYKCQBASCKNZNO-UHFFFAOYSA-N 2 1 307.438 0.560 20 30 DCEDMP C=CCOCC[NH+]1CCC(CNC(=O)Cc2cnc[nH]2)CC1 ZINC001224673355 775595421 /nfs/dbraw/zinc/59/54/21/775595421.db2.gz VHHQMZACSCQNMT-UHFFFAOYSA-N 2 1 306.410 0.983 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001227986663 776033547 /nfs/dbraw/zinc/03/35/47/776033547.db2.gz IUSHEXZLWPFXNP-INIZCTEOSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001229199519 776168265 /nfs/dbraw/zinc/16/82/65/776168265.db2.gz BZUAMQHNZPOJJO-UHFFFAOYSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001229859873 776232163 /nfs/dbraw/zinc/23/21/63/776232163.db2.gz GPGUYRRBWTXDQB-HUUCEWRRSA-N 2 1 324.469 0.647 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001095917188 776386702 /nfs/dbraw/zinc/38/67/02/776386702.db2.gz STBOVVMVLSFGED-QZWWFDLISA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001095917188 776386706 /nfs/dbraw/zinc/38/67/06/776386706.db2.gz STBOVVMVLSFGED-QZWWFDLISA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095917188 776386711 /nfs/dbraw/zinc/38/67/11/776386711.db2.gz STBOVVMVLSFGED-QZWWFDLISA-N 2 1 319.449 0.840 20 30 DCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095917188 776386720 /nfs/dbraw/zinc/38/67/20/776386720.db2.gz STBOVVMVLSFGED-QZWWFDLISA-N 2 1 319.449 0.840 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167964 777105904 /nfs/dbraw/zinc/10/59/04/777105904.db2.gz SJBUIXJGSVJVGR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167964 777105908 /nfs/dbraw/zinc/10/59/08/777105908.db2.gz SJBUIXJGSVJVGR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167964 777105912 /nfs/dbraw/zinc/10/59/12/777105912.db2.gz SJBUIXJGSVJVGR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167964 777105920 /nfs/dbraw/zinc/10/59/20/777105920.db2.gz SJBUIXJGSVJVGR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041743152 777463410 /nfs/dbraw/zinc/46/34/10/777463410.db2.gz IRIYWXVYNKAMAZ-QGZVFWFLSA-N 2 1 307.438 0.819 20 30 DCEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041743152 777463416 /nfs/dbraw/zinc/46/34/16/777463416.db2.gz IRIYWXVYNKAMAZ-QGZVFWFLSA-N 2 1 307.438 0.819 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001317862915 945210360 /nfs/dbraw/zinc/21/03/60/945210360.db2.gz JVEPNDNQOQBFDA-OAHLLOKOSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317862915 945210365 /nfs/dbraw/zinc/21/03/65/945210365.db2.gz JVEPNDNQOQBFDA-OAHLLOKOSA-N 2 1 324.469 0.409 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317862915 945210368 /nfs/dbraw/zinc/21/03/68/945210368.db2.gz JVEPNDNQOQBFDA-OAHLLOKOSA-N 2 1 324.469 0.409 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266264899 939035278 /nfs/dbraw/zinc/03/52/78/939035278.db2.gz NTMBQVWJFROBPE-HZPDHXFCSA-N 2 1 306.454 0.084 20 30 DCEDMP C=CCNC(=O)CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001480864813 939049857 /nfs/dbraw/zinc/04/98/57/939049857.db2.gz UJXLVHZDVNCXIU-AWEZNQCLSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1cnccn1 ZINC001480875317 939129375 /nfs/dbraw/zinc/12/93/75/939129375.db2.gz PNCBPTTWZLYOQG-HOCLYGCPSA-N 2 1 315.421 0.683 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1cnccn1 ZINC001480875317 939129377 /nfs/dbraw/zinc/12/93/77/939129377.db2.gz PNCBPTTWZLYOQG-HOCLYGCPSA-N 2 1 315.421 0.683 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267113244 939348259 /nfs/dbraw/zinc/34/82/59/939348259.db2.gz HCICAPWWCUBXJM-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267113244 939348263 /nfs/dbraw/zinc/34/82/63/939348263.db2.gz HCICAPWWCUBXJM-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001267567190 939502186 /nfs/dbraw/zinc/50/21/86/939502186.db2.gz MHVCAXIQYJKTCX-HNNXBMFYSA-N 2 1 317.437 0.520 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001267695945 939629530 /nfs/dbraw/zinc/62/95/30/939629530.db2.gz MVKBDOXVTRSMQK-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001267695945 939629531 /nfs/dbraw/zinc/62/95/31/939629531.db2.gz MVKBDOXVTRSMQK-OAHLLOKOSA-N 2 1 322.453 0.163 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)CNCc1ncccn1 ZINC001267988842 939722326 /nfs/dbraw/zinc/72/23/26/939722326.db2.gz APQCOKCRCIBTSQ-CABCVRRESA-N 2 1 315.421 0.416 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481495597 939903047 /nfs/dbraw/zinc/90/30/47/939903047.db2.gz MQYKCEHDBSTVKR-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481495597 939903049 /nfs/dbraw/zinc/90/30/49/939903049.db2.gz MQYKCEHDBSTVKR-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481495597 939903051 /nfs/dbraw/zinc/90/30/51/939903051.db2.gz MQYKCEHDBSTVKR-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481537454 939926198 /nfs/dbraw/zinc/92/61/98/939926198.db2.gz INBZEFQPKMCOSK-KKUMJFAQSA-N 2 1 324.469 0.598 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001268269754 940013041 /nfs/dbraw/zinc/01/30/41/940013041.db2.gz VQJJSASEMHXEBA-HUUCEWRRSA-N 2 1 322.453 0.163 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001481692416 940044211 /nfs/dbraw/zinc/04/42/11/940044211.db2.gz MPQOXZPFUYSQIT-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001481692416 940044214 /nfs/dbraw/zinc/04/42/14/940044214.db2.gz MPQOXZPFUYSQIT-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268307534 940047004 /nfs/dbraw/zinc/04/70/04/940047004.db2.gz HGGNUZSSEBZNGC-HOTGVXAUSA-N 2 1 307.438 0.483 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCCC ZINC001482295634 940920089 /nfs/dbraw/zinc/92/00/89/940920089.db2.gz DIXUZBWPSKUQTQ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCCC ZINC001482295634 940920093 /nfs/dbraw/zinc/92/00/93/940920093.db2.gz DIXUZBWPSKUQTQ-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001271298191 941344071 /nfs/dbraw/zinc/34/40/71/941344071.db2.gz VYAGHKNLLAMQCB-AWEZNQCLSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccn(C)n1 ZINC001482841853 941686692 /nfs/dbraw/zinc/68/66/92/941686692.db2.gz OWJOMIWMVNDRJF-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccn(C)n1 ZINC001482841853 941686694 /nfs/dbraw/zinc/68/66/94/941686694.db2.gz OWJOMIWMVNDRJF-ZBFHGGJFSA-N 2 1 317.437 0.502 20 30 DCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001483984651 943071776 /nfs/dbraw/zinc/07/17/76/943071776.db2.gz UJBCVLLBBXHICL-BFYDXBDKSA-N 2 1 321.465 0.634 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484614237 943472927 /nfs/dbraw/zinc/47/29/27/943472927.db2.gz LMPLBIQDFLUNNM-CABCVRRESA-N 2 1 322.453 0.354 20 30 DCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484841373 943590954 /nfs/dbraw/zinc/59/09/54/943590954.db2.gz HUSPACNNZLLEIR-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001490921366 943678063 /nfs/dbraw/zinc/67/80/63/943678063.db2.gz BLLVJFBCHNUOOO-ULQDDVLXSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580289 944014353 /nfs/dbraw/zinc/01/43/53/944014353.db2.gz FPLAHHYWGXSSBT-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485580289 944014362 /nfs/dbraw/zinc/01/43/62/944014362.db2.gz FPLAHHYWGXSSBT-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580289 944014372 /nfs/dbraw/zinc/01/43/72/944014372.db2.gz FPLAHHYWGXSSBT-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580289 944014377 /nfs/dbraw/zinc/01/43/77/944014377.db2.gz FPLAHHYWGXSSBT-HUUCEWRRSA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnc(C)nc1 ZINC001491486456 944036350 /nfs/dbraw/zinc/03/63/50/944036350.db2.gz IRPBZKRXJSSMOS-BBRMVZONSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnc(C)nc1 ZINC001491486456 944036361 /nfs/dbraw/zinc/03/63/61/944036361.db2.gz IRPBZKRXJSSMOS-BBRMVZONSA-N 2 1 315.421 0.477 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1conc1CC ZINC001493578052 944037217 /nfs/dbraw/zinc/03/72/17/944037217.db2.gz LVOROLODCZLDKH-INIZCTEOSA-N 2 1 318.421 0.883 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1conc1CC ZINC001493578052 944037227 /nfs/dbraw/zinc/03/72/27/944037227.db2.gz LVOROLODCZLDKH-INIZCTEOSA-N 2 1 318.421 0.883 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485775199 944132334 /nfs/dbraw/zinc/13/23/34/944132334.db2.gz ZEDXKXVPNYCBDL-UHFFFAOYSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001316969004 944696990 /nfs/dbraw/zinc/69/69/90/944696990.db2.gz WNJRWVIMRKZGNG-INIZCTEOSA-N 2 1 308.470 0.474 20 30 DCEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001486358458 944817776 /nfs/dbraw/zinc/81/77/76/944817776.db2.gz CHCOOLWSVYQFRV-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001486358458 944817781 /nfs/dbraw/zinc/81/77/81/944817781.db2.gz CHCOOLWSVYQFRV-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001486358458 944817783 /nfs/dbraw/zinc/81/77/83/944817783.db2.gz CHCOOLWSVYQFRV-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001486358458 944817787 /nfs/dbraw/zinc/81/77/87/944817787.db2.gz CHCOOLWSVYQFRV-CABCVRRESA-N 2 1 313.442 0.034 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCN(C(C)=O)CC1 ZINC001246303861 945379854 /nfs/dbraw/zinc/37/98/54/945379854.db2.gz AYINKFXFBYUHNC-HNNXBMFYSA-N 2 1 311.426 0.814 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246307203 945381147 /nfs/dbraw/zinc/38/11/47/945381147.db2.gz KHBQTMSFMPEZHS-KBPBESRZSA-N 3 1 311.426 0.324 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCC[C@@H](C)O)CC1 ZINC001320090635 945738692 /nfs/dbraw/zinc/73/86/92/945738692.db2.gz NPBMHYSPFRUFGY-MRXNPFEDSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCOCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001320489557 945899299 /nfs/dbraw/zinc/89/92/99/945899299.db2.gz HJGFKZGTOWETAS-KRWDZBQOSA-N 2 1 317.433 0.987 20 30 DCEDMP C#CCOCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001320489557 945899309 /nfs/dbraw/zinc/89/93/09/945899309.db2.gz HJGFKZGTOWETAS-KRWDZBQOSA-N 2 1 317.433 0.987 20 30 DCEDMP C=C[C@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253576639 946132558 /nfs/dbraw/zinc/13/25/58/946132558.db2.gz NGLMQDYJSWHWSK-HNNXBMFYSA-N 2 1 305.422 0.357 20 30 DCEDMP C=C[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001253577246 946132628 /nfs/dbraw/zinc/13/26/28/946132628.db2.gz LKAQLIROFDYPLE-QZWWFDLISA-N 2 1 319.453 0.998 20 30 DCEDMP C=C[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001253577246 946132633 /nfs/dbraw/zinc/13/26/33/946132633.db2.gz LKAQLIROFDYPLE-QZWWFDLISA-N 2 1 319.453 0.998 20 30 DCEDMP C=C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001253577246 946132641 /nfs/dbraw/zinc/13/26/41/946132641.db2.gz LKAQLIROFDYPLE-QZWWFDLISA-N 2 1 319.453 0.998 20 30 DCEDMP C=C[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001253577246 946132645 /nfs/dbraw/zinc/13/26/45/946132645.db2.gz LKAQLIROFDYPLE-QZWWFDLISA-N 2 1 319.453 0.998 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001278805649 946426848 /nfs/dbraw/zinc/42/68/48/946426848.db2.gz OUAZXOUXBNNDGF-DOTOQJQBSA-N 2 1 309.454 0.683 20 30 DCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001278805652 946427462 /nfs/dbraw/zinc/42/74/62/946427462.db2.gz OUAZXOUXBNNDGF-WBVHZDCISA-N 2 1 309.454 0.683 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001278809832 946428558 /nfs/dbraw/zinc/42/85/58/946428558.db2.gz HOXJETIKHXSZKN-SJLPKXTDSA-N 2 1 321.465 0.827 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001324662275 947495851 /nfs/dbraw/zinc/49/58/51/947495851.db2.gz UFKGSTQXUXRCQK-CJNGLKHVSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001324662275 947495857 /nfs/dbraw/zinc/49/58/57/947495857.db2.gz UFKGSTQXUXRCQK-CJNGLKHVSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001263105571 947809774 /nfs/dbraw/zinc/80/97/74/947809774.db2.gz SGOPFDWPIDFMSP-KGLIPLIRSA-N 2 1 308.426 0.093 20 30 DCEDMP C#CCN1CC[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001273728104 948051920 /nfs/dbraw/zinc/05/19/20/948051920.db2.gz DZMKIQLSIGPAJJ-GOSISDBHSA-N 2 1 318.465 0.182 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)O2 ZINC001327359989 948477712 /nfs/dbraw/zinc/47/77/12/948477712.db2.gz QXEJTINBXKSONR-HOTGVXAUSA-N 2 1 321.465 0.946 20 30 DCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001273902321 948672036 /nfs/dbraw/zinc/67/20/36/948672036.db2.gz AXABLRMSPBFZMV-DOTOQJQBSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001328098773 948709885 /nfs/dbraw/zinc/70/98/85/948709885.db2.gz QBBWAAUJOJHDPC-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001328098773 948709887 /nfs/dbraw/zinc/70/98/87/948709887.db2.gz QBBWAAUJOJHDPC-INIZCTEOSA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001328604813 948984157 /nfs/dbraw/zinc/98/41/57/948984157.db2.gz LMPLBIQDFLUNNM-GJZGRUSLSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001488683518 949059891 /nfs/dbraw/zinc/05/98/91/949059891.db2.gz IKYGSBHREGVWLY-OAHLLOKOSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001264669288 949064242 /nfs/dbraw/zinc/06/42/42/949064242.db2.gz OKBKGSKZDDBDGD-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001264669288 949064262 /nfs/dbraw/zinc/06/42/62/949064262.db2.gz OKBKGSKZDDBDGD-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001264669288 949064283 /nfs/dbraw/zinc/06/42/83/949064283.db2.gz OKBKGSKZDDBDGD-INIZCTEOSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001328844691 949132069 /nfs/dbraw/zinc/13/20/69/949132069.db2.gz SVUASDQVBZZHKO-QGZVFWFLSA-N 2 1 319.449 0.389 20 30 DCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001265265324 949515293 /nfs/dbraw/zinc/51/52/93/949515293.db2.gz VWCBCHSAVJPOCM-DLBZAZTESA-N 2 1 320.481 0.923 20 30 DCEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265386541 949650354 /nfs/dbraw/zinc/65/03/54/949650354.db2.gz IEHNSWFTRSTVDG-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265386541 949650369 /nfs/dbraw/zinc/65/03/69/949650369.db2.gz IEHNSWFTRSTVDG-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265386541 949650374 /nfs/dbraw/zinc/65/03/74/949650374.db2.gz IEHNSWFTRSTVDG-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265386541 949650384 /nfs/dbraw/zinc/65/03/84/949650384.db2.gz IEHNSWFTRSTVDG-HZPDHXFCSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001265663884 949861759 /nfs/dbraw/zinc/86/17/59/949861759.db2.gz MVEQVGJZSYCOMP-CVEARBPZSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265848226 950033861 /nfs/dbraw/zinc/03/38/61/950033861.db2.gz IHQFYIUPEOOLSU-OAHLLOKOSA-N 2 1 322.453 0.069 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCN2CCOCC2)C(C)(C)C1 ZINC001330245277 950228749 /nfs/dbraw/zinc/22/87/49/950228749.db2.gz XXKQLEALQAOXRZ-OAHLLOKOSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001279123266 950518203 /nfs/dbraw/zinc/51/82/03/950518203.db2.gz AYHHZGKPFPXBPY-ZBFHGGJFSA-N 2 1 318.421 0.525 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](CC)OC)C1 ZINC001330609706 950543806 /nfs/dbraw/zinc/54/38/06/950543806.db2.gz FRJDAXDTKHZQEH-QAETUUGQSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](CC)OC)C1 ZINC001330609706 950543826 /nfs/dbraw/zinc/54/38/26/950543826.db2.gz FRJDAXDTKHZQEH-QAETUUGQSA-N 2 1 321.465 0.993 20 30 DCEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001490514440 950840605 /nfs/dbraw/zinc/84/06/05/950840605.db2.gz HIKCJPLDNCQCTF-INIZCTEOSA-N 2 1 308.470 0.638 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001331174185 950989457 /nfs/dbraw/zinc/98/94/57/950989457.db2.gz RPCYNIKKODRYPH-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001280691973 951039086 /nfs/dbraw/zinc/03/90/86/951039086.db2.gz MUGPVQLCBCSBKL-MRXNPFEDSA-N 2 1 306.454 0.180 20 30 DCEDMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CCCCC#N)C2)OCC1=O ZINC001274043673 951354323 /nfs/dbraw/zinc/35/43/23/951354323.db2.gz SDLPJLPDCTZQBS-MRXNPFEDSA-N 2 1 308.426 0.545 20 30 DCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001281613389 951562492 /nfs/dbraw/zinc/56/24/92/951562492.db2.gz SJSSPCBRHGMDJN-UHFFFAOYSA-N 2 1 306.410 0.862 20 30 DCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#CCOC)[C@H](C)C1 ZINC001281687375 951598373 /nfs/dbraw/zinc/59/83/73/951598373.db2.gz XOWFEDFQCFVJTN-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC#CCOC)[C@H](C)C1 ZINC001281687375 951598381 /nfs/dbraw/zinc/59/83/81/951598381.db2.gz XOWFEDFQCFVJTN-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)[C@H](C)C1 ZINC001281687375 951598390 /nfs/dbraw/zinc/59/83/90/951598390.db2.gz XOWFEDFQCFVJTN-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001274657074 951770608 /nfs/dbraw/zinc/77/06/08/951770608.db2.gz XQNIRAJLWCVMLO-HUUCEWRRSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCOC ZINC001332923608 951853449 /nfs/dbraw/zinc/85/34/49/951853449.db2.gz WNYNIOVDPPEKSB-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCOC ZINC001332923608 951853452 /nfs/dbraw/zinc/85/34/52/951853452.db2.gz WNYNIOVDPPEKSB-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CCOC ZINC001332923608 951853458 /nfs/dbraw/zinc/85/34/58/951853458.db2.gz WNYNIOVDPPEKSB-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCOC ZINC001332923608 951853461 /nfs/dbraw/zinc/85/34/61/951853461.db2.gz WNYNIOVDPPEKSB-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001275729799 952411310 /nfs/dbraw/zinc/41/13/10/952411310.db2.gz PHYZFTDJMNIHEJ-CVEARBPZSA-N 2 1 321.465 0.805 20 30 DCEDMP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001281831452 953381158 /nfs/dbraw/zinc/38/11/58/953381158.db2.gz XUBKQTDGHOFIHL-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001281831452 953381174 /nfs/dbraw/zinc/38/11/74/953381174.db2.gz XUBKQTDGHOFIHL-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001281831452 953381189 /nfs/dbraw/zinc/38/11/89/953381189.db2.gz XUBKQTDGHOFIHL-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001281831452 953381204 /nfs/dbraw/zinc/38/12/04/953381204.db2.gz XUBKQTDGHOFIHL-KRWDZBQOSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001282834325 953689466 /nfs/dbraw/zinc/68/94/66/953689466.db2.gz UZKIUPDPYPEOLZ-MRXNPFEDSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001349848843 954907572 /nfs/dbraw/zinc/90/75/72/954907572.db2.gz CVZIICZRTCUHSE-HRCADAONSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001349848843 954907585 /nfs/dbraw/zinc/90/75/85/954907585.db2.gz CVZIICZRTCUHSE-HRCADAONSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001349848843 954907591 /nfs/dbraw/zinc/90/75/91/954907591.db2.gz CVZIICZRTCUHSE-HRCADAONSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001349848843 954907606 /nfs/dbraw/zinc/90/76/06/954907606.db2.gz CVZIICZRTCUHSE-HRCADAONSA-N 2 1 304.438 0.820 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001354504269 956411571 /nfs/dbraw/zinc/41/15/71/956411571.db2.gz AHVMXKBVDXHPCN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001354504269 956411576 /nfs/dbraw/zinc/41/15/76/956411576.db2.gz AHVMXKBVDXHPCN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[NH+](C)CCC ZINC001354504269 956411581 /nfs/dbraw/zinc/41/15/81/956411581.db2.gz AHVMXKBVDXHPCN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[NH+](C)CCC ZINC001354504269 956411584 /nfs/dbraw/zinc/41/15/84/956411584.db2.gz AHVMXKBVDXHPCN-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001316662211 958253099 /nfs/dbraw/zinc/25/30/99/958253099.db2.gz YUQWLLNRSDQGHN-JKSUJKDBSA-N 2 1 307.438 0.607 20 30 DCEDMP C[N@H+]1CCC[C@@H](N2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359235 962956441 /nfs/dbraw/zinc/95/64/41/962956441.db2.gz SAWZNEVDDOHNRV-CVEARBPZSA-N 2 1 306.454 0.753 20 30 DCEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359235 962956452 /nfs/dbraw/zinc/95/64/52/962956452.db2.gz SAWZNEVDDOHNRV-CVEARBPZSA-N 2 1 306.454 0.753 20 30 DCEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359235 962956461 /nfs/dbraw/zinc/95/64/61/962956461.db2.gz SAWZNEVDDOHNRV-CVEARBPZSA-N 2 1 306.454 0.753 20 30 DCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001369347942 964795296 /nfs/dbraw/zinc/79/52/96/964795296.db2.gz VIJBVAKYOTWFJP-LBPRGKRZSA-N 2 1 301.818 0.434 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001369381521 964860848 /nfs/dbraw/zinc/86/08/48/964860848.db2.gz KQQDBMRBMLJRMR-HZPDHXFCSA-N 2 1 316.405 0.077 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001369469055 965032256 /nfs/dbraw/zinc/03/22/56/965032256.db2.gz DCHILIMCPYDERY-CYBMUJFWSA-N 2 1 303.834 0.632 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001374624636 965656192 /nfs/dbraw/zinc/65/61/92/965656192.db2.gz OVVPLTBPSACXDG-KGLIPLIRSA-N 2 1 317.861 0.926 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001370284328 965962276 /nfs/dbraw/zinc/96/22/76/965962276.db2.gz UVTNEZBHSTYCFR-UONOGXRCSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001370284328 965962287 /nfs/dbraw/zinc/96/22/87/965962287.db2.gz UVTNEZBHSTYCFR-UONOGXRCSA-N 2 1 315.845 0.944 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001449188053 1014281351 /nfs/dbraw/zinc/28/13/51/1014281351.db2.gz JJZHNGLITZRELR-HZSPNIEDSA-N 2 1 317.861 0.830 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001449188053 1014281357 /nfs/dbraw/zinc/28/13/57/1014281357.db2.gz JJZHNGLITZRELR-HZSPNIEDSA-N 2 1 317.861 0.830 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001449188053 1014281363 /nfs/dbraw/zinc/28/13/63/1014281363.db2.gz JJZHNGLITZRELR-HZSPNIEDSA-N 2 1 317.861 0.830 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001449188053 1014281368 /nfs/dbraw/zinc/28/13/68/1014281368.db2.gz JJZHNGLITZRELR-HZSPNIEDSA-N 2 1 317.861 0.830 20 30 DCEDMP C=C(Cl)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001449188053 1014281343 /nfs/dbraw/zinc/28/13/43/1014281343.db2.gz JJZHNGLITZRELR-HZSPNIEDSA-N 2 1 317.861 0.830 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001390603362 990238876 /nfs/dbraw/zinc/23/88/76/990238876.db2.gz MRJVKMYFBKOJLK-KBPBESRZSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001390603362 990238879 /nfs/dbraw/zinc/23/88/79/990238879.db2.gz MRJVKMYFBKOJLK-KBPBESRZSA-N 2 1 315.845 0.898 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001392219002 991621686 /nfs/dbraw/zinc/62/16/86/991621686.db2.gz VXCJVUGDHNXZBJ-QWHCGFSZSA-N 2 1 303.834 0.800 20 30 DCEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001392219002 991621693 /nfs/dbraw/zinc/62/16/93/991621693.db2.gz VXCJVUGDHNXZBJ-QWHCGFSZSA-N 2 1 303.834 0.800 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392390029 991860395 /nfs/dbraw/zinc/86/03/95/991860395.db2.gz GGWLRZUVPDQWLB-AVGNSLFASA-N 2 1 303.834 0.536 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394577940 993857237 /nfs/dbraw/zinc/85/72/37/993857237.db2.gz KKTSKZRLBHYMEI-CVEARBPZSA-N 2 1 316.405 0.219 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001507091633 1015975687 /nfs/dbraw/zinc/97/56/87/1015975687.db2.gz FXUMEQFBIAEMMT-ZIAGYGMSSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001502591620 1015987999 /nfs/dbraw/zinc/98/79/99/1015987999.db2.gz CRYQJARQUWJZMK-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001507478914 1016384861 /nfs/dbraw/zinc/38/48/61/1016384861.db2.gz OFEDCBHMDFIITM-SWLSCSKDSA-N 2 1 321.425 0.385 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001507478914 1016384869 /nfs/dbraw/zinc/38/48/69/1016384869.db2.gz OFEDCBHMDFIITM-SWLSCSKDSA-N 2 1 321.425 0.385 20 30 DCEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001406289283 1003574498 /nfs/dbraw/zinc/57/44/98/1003574498.db2.gz MRMNUJAGMGXJIO-JKSUJKDBSA-N 2 1 316.405 0.077 20 30 DCEDMP C=CCCCN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001506096512 1017009681 /nfs/dbraw/zinc/00/96/81/1017009681.db2.gz PLTNYLHLBHNCSR-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506096512 1017009694 /nfs/dbraw/zinc/00/96/94/1017009694.db2.gz PLTNYLHLBHNCSR-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001506096512 1017009707 /nfs/dbraw/zinc/00/97/07/1017009707.db2.gz PLTNYLHLBHNCSR-HUUCEWRRSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)N(C)CC ZINC001497404057 1018116238 /nfs/dbraw/zinc/11/62/38/1018116238.db2.gz SCNQKMYLUNQWDM-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)N(C)CC ZINC001497404057 1018116244 /nfs/dbraw/zinc/11/62/44/1018116244.db2.gz SCNQKMYLUNQWDM-HNNXBMFYSA-N 2 1 322.453 0.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOCC ZINC001499901469 1018126152 /nfs/dbraw/zinc/12/61/52/1018126152.db2.gz SZSUGXQGEFQPCI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOCC ZINC001499901469 1018126155 /nfs/dbraw/zinc/12/61/55/1018126155.db2.gz SZSUGXQGEFQPCI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCO)CC1 ZINC001500428502 1018450002 /nfs/dbraw/zinc/45/00/02/1018450002.db2.gz HFVFVUPLVWUTIC-HNNXBMFYSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCO)CC1 ZINC001500428502 1018450008 /nfs/dbraw/zinc/45/00/08/1018450008.db2.gz HFVFVUPLVWUTIC-HNNXBMFYSA-N 2 1 307.438 0.295 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001500485064 1018469377 /nfs/dbraw/zinc/46/93/77/1018469377.db2.gz GKCGHHZTBKJFKP-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001500485064 1018469386 /nfs/dbraw/zinc/46/93/86/1018469386.db2.gz GKCGHHZTBKJFKP-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001500485064 1018469393 /nfs/dbraw/zinc/46/93/93/1018469393.db2.gz GKCGHHZTBKJFKP-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001500485064 1018469400 /nfs/dbraw/zinc/46/94/00/1018469400.db2.gz GKCGHHZTBKJFKP-WBVHZDCISA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCOCC1 ZINC001500589966 1018504227 /nfs/dbraw/zinc/50/42/27/1018504227.db2.gz WMEAHGIOKQQNIU-CVEARBPZSA-N 2 1 319.449 0.892 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001500689614 1018578429 /nfs/dbraw/zinc/57/84/29/1018578429.db2.gz NEXNXTCOIZXEAK-SFHVURJKSA-N 2 1 321.465 0.992 20 30 DCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001500718175 1018608093 /nfs/dbraw/zinc/60/80/93/1018608093.db2.gz OKJLLPUDGZTRPA-WMLDXEAASA-N 2 1 318.421 0.493 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001500718175 1018608099 /nfs/dbraw/zinc/60/80/99/1018608099.db2.gz OKJLLPUDGZTRPA-WMLDXEAASA-N 2 1 318.421 0.493 20 30 DCEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500725839 1018611362 /nfs/dbraw/zinc/61/13/62/1018611362.db2.gz VJRFBWNHSFLCCI-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500725839 1018611374 /nfs/dbraw/zinc/61/13/74/1018611374.db2.gz VJRFBWNHSFLCCI-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500725839 1018611384 /nfs/dbraw/zinc/61/13/84/1018611384.db2.gz VJRFBWNHSFLCCI-DOTOQJQBSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCOC1 ZINC001498055147 1018615983 /nfs/dbraw/zinc/61/59/83/1018615983.db2.gz KTSDBZHAQPYTDY-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCOC1 ZINC001498055147 1018615992 /nfs/dbraw/zinc/61/59/92/1018615992.db2.gz KTSDBZHAQPYTDY-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001502088130 1019703055 /nfs/dbraw/zinc/70/30/55/1019703055.db2.gz WRWIMURDRIKKJR-CYBMUJFWSA-N 2 1 303.834 0.898 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001494108582 1019987433 /nfs/dbraw/zinc/98/74/33/1019987433.db2.gz RKHOILAXIPTMKW-UHFFFAOYSA-N 2 1 308.470 0.426 20 30 DCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001494108582 1019987441 /nfs/dbraw/zinc/98/74/41/1019987441.db2.gz RKHOILAXIPTMKW-UHFFFAOYSA-N 2 1 308.470 0.426 20 30 DCEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)N1CCN(c2ncccn2)CC1 ZINC000262499372 238175704 /nfs/dbraw/zinc/17/57/04/238175704.db2.gz XTYIRMNJLHXWOV-UHFFFAOYSA-N 2 1 315.425 0.175 20 30 DCEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)N1CCN(c2ncccn2)CC1 ZINC000262499372 238175709 /nfs/dbraw/zinc/17/57/09/238175709.db2.gz XTYIRMNJLHXWOV-UHFFFAOYSA-N 2 1 315.425 0.175 20 30 DCEDMP C[NH+]=C(NCCc1csc(C)n1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000088870075 395708567 /nfs/dbraw/zinc/70/85/67/395708567.db2.gz WVGJUJYLWXIQJS-AWEZNQCLSA-N 2 1 324.498 0.405 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)CC1 ZINC000491692058 397503067 /nfs/dbraw/zinc/50/30/67/397503067.db2.gz HRFZTBJLUJCSOJ-DLBZAZTESA-N 2 1 319.449 0.653 20 30 DCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000329393482 416167334 /nfs/dbraw/zinc/16/73/34/416167334.db2.gz WEWZSISTJBREFE-MRXNPFEDSA-N 2 1 323.485 0.610 20 30 DCEDMP C[C@H](NC(=O)N1CCC([NH+](C)CCO)CC1)C1=CC[N@@H+](C)CC1 ZINC000330084807 416196388 /nfs/dbraw/zinc/19/63/88/416196388.db2.gz REOFMYMUOQJTTR-AWEZNQCLSA-N 2 1 324.469 0.939 20 30 DCEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000517567303 416811655 /nfs/dbraw/zinc/81/16/55/416811655.db2.gz DTADKGSXSDQWLJ-JKSUJKDBSA-N 2 1 319.405 0.344 20 30 DCEDMP C[NH+]1C[C@H]2CCN(CC#CCN3CC[C@H]4C[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000644733069 417652025 /nfs/dbraw/zinc/65/20/25/417652025.db2.gz LGGCLXGYBHYWTC-XMTFNYHQSA-N 2 1 302.466 0.262 20 30 DCEDMP C[NH+]1C[C@@H]2CCN(CC#CCN3CC[C@@H]4C[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000644733069 417652029 /nfs/dbraw/zinc/65/20/29/417652029.db2.gz LGGCLXGYBHYWTC-XMTFNYHQSA-N 2 1 302.466 0.262 20 30 DCEDMP C[NH+]1C[C@@H]2CCN(CC#CCN3CC[C@@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000644733069 417652034 /nfs/dbraw/zinc/65/20/34/417652034.db2.gz LGGCLXGYBHYWTC-XMTFNYHQSA-N 2 1 302.466 0.262 20 30 DCEDMP C=CC[C@]1(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCC[NH2+]1 ZINC000662746509 417882137 /nfs/dbraw/zinc/88/21/37/417882137.db2.gz MBTMSFAHQJIZHI-QGZVFWFLSA-N 2 1 322.453 0.307 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(NC[C@]1(O)CCSC1)=[NH+]C ZINC000262432709 276371209 /nfs/dbraw/zinc/37/12/09/276371209.db2.gz SRGISINKELQNAT-TZMCWYRMSA-N 2 1 300.472 0.504 20 30 DCEDMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329928403 336096542 /nfs/dbraw/zinc/09/65/42/336096542.db2.gz XWFVVRPXFHBSDA-ZDUSSCGKSA-N 2 1 310.442 0.526 20 30 DCEDMP COc1ccc(NC(=[NH2+])NC[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000262315144 533991350 /nfs/dbraw/zinc/99/13/50/533991350.db2.gz QOSXDGMNLUTLHA-OAHLLOKOSA-N 2 1 308.382 0.497 20 30 DCEDMP C[NH+]=C(NCc1cccn1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261694887 526385491 /nfs/dbraw/zinc/38/54/91/526385491.db2.gz ISZKLPDVYBYIGA-OAHLLOKOSA-N 2 1 319.453 0.755 20 30 DCEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262788064 526392166 /nfs/dbraw/zinc/39/21/66/526392166.db2.gz MRVNAMBMBUGLBG-LLVKDONJSA-N 2 1 303.414 0.126 20 30 DCEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262788064 526392170 /nfs/dbraw/zinc/39/21/70/526392170.db2.gz MRVNAMBMBUGLBG-LLVKDONJSA-N 2 1 303.414 0.126 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000359262877 526416997 /nfs/dbraw/zinc/41/69/97/526416997.db2.gz HFVLEZDMALIOHX-CQSZACIVSA-N 2 1 324.469 0.600 20 30 DCEDMP CC(C)CNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264091551 527954309 /nfs/dbraw/zinc/95/43/09/527954309.db2.gz LBWIEVMVQNSERZ-INIZCTEOSA-N 2 1 304.438 0.966 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329244525 546045227 /nfs/dbraw/zinc/04/52/27/546045227.db2.gz PWQRNJQEJANLID-KBPBESRZSA-N 2 1 310.442 0.383 20 30 DCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329244525 546045236 /nfs/dbraw/zinc/04/52/36/546045236.db2.gz PWQRNJQEJANLID-KBPBESRZSA-N 2 1 310.442 0.383 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027546964 660411005 /nfs/dbraw/zinc/41/10/05/660411005.db2.gz OWYPLCOSGFXMBK-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027546964 660411006 /nfs/dbraw/zinc/41/10/06/660411006.db2.gz OWYPLCOSGFXMBK-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546964 660411007 /nfs/dbraw/zinc/41/10/07/660411007.db2.gz OWYPLCOSGFXMBK-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546964 660411008 /nfs/dbraw/zinc/41/10/08/660411008.db2.gz OWYPLCOSGFXMBK-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978151843 660490743 /nfs/dbraw/zinc/49/07/43/660490743.db2.gz AGXKVUFSOYLWIN-LUKYLMHMSA-N 2 1 301.434 0.646 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979070880 660657604 /nfs/dbraw/zinc/65/76/04/660657604.db2.gz IXDUEXWKEMHNCN-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979070880 660657607 /nfs/dbraw/zinc/65/76/07/660657607.db2.gz IXDUEXWKEMHNCN-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979070880 660657609 /nfs/dbraw/zinc/65/76/09/660657609.db2.gz IXDUEXWKEMHNCN-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979070880 660657611 /nfs/dbraw/zinc/65/76/11/660657611.db2.gz IXDUEXWKEMHNCN-NXOAAHMSSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968806 658103801 /nfs/dbraw/zinc/10/38/01/658103801.db2.gz HUVOYGXPKUBHHH-GWUWNPHMSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971968806 658103806 /nfs/dbraw/zinc/10/38/06/658103806.db2.gz HUVOYGXPKUBHHH-GWUWNPHMSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971968806 658103810 /nfs/dbraw/zinc/10/38/10/658103810.db2.gz HUVOYGXPKUBHHH-GWUWNPHMSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968807 658104125 /nfs/dbraw/zinc/10/41/25/658104125.db2.gz HUVOYGXPKUBHHH-GYMHETDLSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971968807 658104128 /nfs/dbraw/zinc/10/41/28/658104128.db2.gz HUVOYGXPKUBHHH-GYMHETDLSA-N 2 1 305.422 0.568 20 30 DCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971968807 658104129 /nfs/dbraw/zinc/10/41/29/658104129.db2.gz HUVOYGXPKUBHHH-GYMHETDLSA-N 2 1 305.422 0.568 20 30 DCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179877 658410448 /nfs/dbraw/zinc/41/04/48/658410448.db2.gz RDMCIUSENHKVHF-GDBMZVCRSA-N 2 1 300.406 0.920 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179877 658410453 /nfs/dbraw/zinc/41/04/53/658410453.db2.gz RDMCIUSENHKVHF-GDBMZVCRSA-N 2 1 300.406 0.920 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC001021904666 658638542 /nfs/dbraw/zinc/63/85/42/658638542.db2.gz BPHLZGKCHJWRRH-BARDWOONSA-N 2 1 320.437 0.104 20 30 DCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970170495 658687633 /nfs/dbraw/zinc/68/76/33/658687633.db2.gz STJITZSQIPWMJE-DFFOAJLQSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970191012 658716972 /nfs/dbraw/zinc/71/69/72/658716972.db2.gz PVLWLHKHTJQNLO-GEMJLEDKSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024809084 658792969 /nfs/dbraw/zinc/79/29/69/658792969.db2.gz NCHUMPOHGMNQLI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024809084 658792972 /nfs/dbraw/zinc/79/29/72/658792972.db2.gz NCHUMPOHGMNQLI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024809084 658792980 /nfs/dbraw/zinc/79/29/80/658792980.db2.gz NCHUMPOHGMNQLI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024809084 658792985 /nfs/dbraw/zinc/79/29/85/658792985.db2.gz NCHUMPOHGMNQLI-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031857260 665661049 /nfs/dbraw/zinc/66/10/49/665661049.db2.gz QZYVTASMMVCTDH-GULBITTBSA-N 2 1 305.422 0.474 20 30 DCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001026549613 659389820 /nfs/dbraw/zinc/38/98/20/659389820.db2.gz YTZAHXRHHHFJDF-GPANFISMSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001026549613 659389822 /nfs/dbraw/zinc/38/98/22/659389822.db2.gz YTZAHXRHHHFJDF-GPANFISMSA-N 2 1 307.438 0.746 20 30 DCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027440771 659480357 /nfs/dbraw/zinc/48/03/57/659480357.db2.gz KKHZQUUBJARECK-CVEARBPZSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001027440771 659480359 /nfs/dbraw/zinc/48/03/59/659480359.db2.gz KKHZQUUBJARECK-CVEARBPZSA-N 2 1 317.437 0.369 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]21 ZINC001025814076 659576551 /nfs/dbraw/zinc/57/65/51/659576551.db2.gz OHONLGIVGCYXAC-OWYFMNJBSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]21 ZINC001025814076 659576553 /nfs/dbraw/zinc/57/65/53/659576553.db2.gz OHONLGIVGCYXAC-OWYFMNJBSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)OC)C[C@H]21 ZINC001025814076 659576555 /nfs/dbraw/zinc/57/65/55/659576555.db2.gz OHONLGIVGCYXAC-OWYFMNJBSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)OC)C[C@H]21 ZINC001025814076 659576559 /nfs/dbraw/zinc/57/65/59/659576559.db2.gz OHONLGIVGCYXAC-OWYFMNJBSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001020236188 659680337 /nfs/dbraw/zinc/68/03/37/659680337.db2.gz UBNZKAGKZCKXSJ-IIAWOOMASA-N 2 1 305.422 0.500 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969381 659743664 /nfs/dbraw/zinc/74/36/64/659743664.db2.gz JBBCWLNEEIUKGN-JKSUJKDBSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969381 659743666 /nfs/dbraw/zinc/74/36/66/659743666.db2.gz JBBCWLNEEIUKGN-JKSUJKDBSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969381 659743669 /nfs/dbraw/zinc/74/36/69/659743669.db2.gz JBBCWLNEEIUKGN-JKSUJKDBSA-N 2 1 321.465 0.946 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969381 659743672 /nfs/dbraw/zinc/74/36/72/659743672.db2.gz JBBCWLNEEIUKGN-JKSUJKDBSA-N 2 1 321.465 0.946 20 30 DCEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960074 665718865 /nfs/dbraw/zinc/71/88/65/665718865.db2.gz BJKWKKYEKOUBLK-GJZGRUSLSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960074 665718867 /nfs/dbraw/zinc/71/88/67/665718867.db2.gz BJKWKKYEKOUBLK-GJZGRUSLSA-N 2 1 318.425 0.421 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960074 665718870 /nfs/dbraw/zinc/71/88/70/665718870.db2.gz BJKWKKYEKOUBLK-GJZGRUSLSA-N 2 1 318.425 0.421 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174021 661295501 /nfs/dbraw/zinc/29/55/01/661295501.db2.gz BKAJXUFPYVNSRG-HOTGVXAUSA-N 2 1 319.449 0.295 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)COC)CC1 ZINC001028333549 661462757 /nfs/dbraw/zinc/46/27/57/661462757.db2.gz NZDHDVNOKDATOJ-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000203480 665776871 /nfs/dbraw/zinc/77/68/71/665776871.db2.gz WXVSZOXZGKMHDA-HUUCEWRRSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@]2(C)C1 ZINC000982819591 661682440 /nfs/dbraw/zinc/68/24/40/661682440.db2.gz HKKFCVWEWQOZSQ-NXHRZFHOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982819591 661682443 /nfs/dbraw/zinc/68/24/43/661682443.db2.gz HKKFCVWEWQOZSQ-NXHRZFHOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982819591 661682444 /nfs/dbraw/zinc/68/24/44/661682444.db2.gz HKKFCVWEWQOZSQ-NXHRZFHOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982819591 661682445 /nfs/dbraw/zinc/68/24/45/661682445.db2.gz HKKFCVWEWQOZSQ-NXHRZFHOSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698834 661765267 /nfs/dbraw/zinc/76/52/67/661765267.db2.gz QPXKFRMFTBHTNI-CTMQZQKCSA-N 2 1 317.433 0.311 20 30 DCEDMP C[NH+]=C(NCC1(O)CCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262781877 662579626 /nfs/dbraw/zinc/57/96/26/662579626.db2.gz LIJRSOMNTZUXTR-CQSZACIVSA-N 2 1 310.442 0.131 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCCO)CC1 ZINC001000788596 665928193 /nfs/dbraw/zinc/92/81/93/665928193.db2.gz VJFJKYJOQXEZOY-INIZCTEOSA-N 2 1 305.422 0.215 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCO)CC1 ZINC001000788596 665928195 /nfs/dbraw/zinc/92/81/95/665928195.db2.gz VJFJKYJOQXEZOY-INIZCTEOSA-N 2 1 305.422 0.215 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCO)CC1 ZINC001000788596 665928197 /nfs/dbraw/zinc/92/81/97/665928197.db2.gz VJFJKYJOQXEZOY-INIZCTEOSA-N 2 1 305.422 0.215 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCO)CC1 ZINC001000788596 665928199 /nfs/dbraw/zinc/92/81/99/665928199.db2.gz VJFJKYJOQXEZOY-INIZCTEOSA-N 2 1 305.422 0.215 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031741358 665397165 /nfs/dbraw/zinc/39/71/65/665397165.db2.gz XIOPSSILKYTGQO-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031741358 665397167 /nfs/dbraw/zinc/39/71/67/665397167.db2.gz XIOPSSILKYTGQO-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941475051 666005356 /nfs/dbraw/zinc/00/53/56/666005356.db2.gz KIRSAFZJMIHLBR-UHFFFAOYSA-N 2 1 318.465 0.629 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566537 666023919 /nfs/dbraw/zinc/02/39/19/666023919.db2.gz GOFPTDVIKOOCBT-HOCLYGCPSA-N 2 1 306.454 0.199 20 30 DCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566537 666023922 /nfs/dbraw/zinc/02/39/22/666023922.db2.gz GOFPTDVIKOOCBT-HOCLYGCPSA-N 2 1 306.454 0.199 20 30 DCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031977204 666075648 /nfs/dbraw/zinc/07/56/48/666075648.db2.gz AUIQWUVGEYTSLP-HNNXBMFYSA-N 2 1 300.406 0.825 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOCC)C1 ZINC001691149819 1157596814 /nfs/dbraw/zinc/59/68/14/1157596814.db2.gz YYZGYWREXZKAQC-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691170635 1157604289 /nfs/dbraw/zinc/60/42/89/1157604289.db2.gz DSBXZLXJWPXIDD-JKSUJKDBSA-N 2 1 307.438 0.416 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001032837150 666288951 /nfs/dbraw/zinc/28/89/51/666288951.db2.gz PBRKSTPVZQSFPG-IKGGRYGDSA-N 2 1 319.449 0.844 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003330826 666297078 /nfs/dbraw/zinc/29/70/78/666297078.db2.gz DLCUHXJPTNGBQC-GNHJJJEISA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922629691 666498711 /nfs/dbraw/zinc/49/87/11/666498711.db2.gz YLNHDRXZKLMNRT-GJZGRUSLSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922629691 666498712 /nfs/dbraw/zinc/49/87/12/666498712.db2.gz YLNHDRXZKLMNRT-GJZGRUSLSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922629691 666498713 /nfs/dbraw/zinc/49/87/13/666498713.db2.gz YLNHDRXZKLMNRT-GJZGRUSLSA-N 2 1 324.494 0.821 20 30 DCEDMP C#CCN(C(=O)NCCC[N@H+](C)CC#C)C1CC[NH+](C)CC1 ZINC000922630005 666498880 /nfs/dbraw/zinc/49/88/80/666498880.db2.gz NIJGKDIMEKLJFD-UHFFFAOYSA-N 2 1 304.438 0.681 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907976 666865541 /nfs/dbraw/zinc/86/55/41/666865541.db2.gz WJKCBZSJIWTJCE-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033907976 666865544 /nfs/dbraw/zinc/86/55/44/666865544.db2.gz WJKCBZSJIWTJCE-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033907976 666865548 /nfs/dbraw/zinc/86/55/48/666865548.db2.gz WJKCBZSJIWTJCE-GARNVTTQSA-N 2 1 319.449 0.958 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001034045822 666907192 /nfs/dbraw/zinc/90/71/92/666907192.db2.gz NJDWQQRJUDLMPO-KRWDZBQOSA-N 2 1 321.465 0.637 20 30 DCEDMP C#CCC[NH+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000865085222 667303908 /nfs/dbraw/zinc/30/39/08/667303908.db2.gz KZPVWPFJKVOHQU-UHFFFAOYSA-N 2 1 303.410 0.226 20 30 DCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000743491327 667808814 /nfs/dbraw/zinc/80/88/14/667808814.db2.gz FIPNKPCQYKEJAX-HNNXBMFYSA-N 2 1 306.454 0.226 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000890369180 668122826 /nfs/dbraw/zinc/12/28/26/668122826.db2.gz RORSCEMNKKOTFD-HNNXBMFYSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000890369180 668122828 /nfs/dbraw/zinc/12/28/28/668122828.db2.gz RORSCEMNKKOTFD-HNNXBMFYSA-N 2 1 322.453 0.494 20 30 DCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000890371658 668124169 /nfs/dbraw/zinc/12/41/69/668124169.db2.gz AESOUSBOQWDDGV-HZPDHXFCSA-N 2 1 304.438 0.964 20 30 DCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000890371658 668124173 /nfs/dbraw/zinc/12/41/73/668124173.db2.gz AESOUSBOQWDDGV-HZPDHXFCSA-N 2 1 304.438 0.964 20 30 DCEDMP C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267709551 1157931257 /nfs/dbraw/zinc/93/12/57/1157931257.db2.gz XHUSJJIKSDQKEF-HZPDHXFCSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267709551 1157931261 /nfs/dbraw/zinc/93/12/61/1157931261.db2.gz XHUSJJIKSDQKEF-HZPDHXFCSA-N 2 1 309.454 0.921 20 30 DCEDMP C=CCOCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267709551 1157931266 /nfs/dbraw/zinc/93/12/66/1157931266.db2.gz XHUSJJIKSDQKEF-HZPDHXFCSA-N 2 1 309.454 0.921 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001006431461 670115149 /nfs/dbraw/zinc/11/51/49/670115149.db2.gz OCVBXOOLOQDHJP-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006431461 670115150 /nfs/dbraw/zinc/11/51/50/670115150.db2.gz OCVBXOOLOQDHJP-MRXNPFEDSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000949512167 670358431 /nfs/dbraw/zinc/35/84/31/670358431.db2.gz OARWBCXFCIKQHY-UHFFFAOYSA-N 2 1 319.449 0.962 20 30 DCEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000949512167 670358432 /nfs/dbraw/zinc/35/84/32/670358432.db2.gz OARWBCXFCIKQHY-UHFFFAOYSA-N 2 1 319.449 0.962 20 30 DCEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001691536080 1158319111 /nfs/dbraw/zinc/31/91/11/1158319111.db2.gz POPAEHGZFDDNFQ-MRXNPFEDSA-N 2 1 309.454 0.944 20 30 DCEDMP CC(C)c1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)on1 ZINC000304481929 685211114 /nfs/dbraw/zinc/21/11/14/685211114.db2.gz JVMUQEMPQMHINB-UHFFFAOYSA-N 2 1 309.414 0.925 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC000957422165 687059473 /nfs/dbraw/zinc/05/94/73/687059473.db2.gz LPKDKAFWXUGBOQ-OAHLLOKOSA-N 2 1 321.465 0.899 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958556567 687744933 /nfs/dbraw/zinc/74/49/33/687744933.db2.gz TXUCZETYZSBJRO-IRXDYDNUSA-N 2 1 321.465 0.539 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597743 687785334 /nfs/dbraw/zinc/78/53/34/687785334.db2.gz FVICCEDMCQNCBB-BBRMVZONSA-N 2 1 318.421 0.746 20 30 DCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958597743 687785347 /nfs/dbraw/zinc/78/53/47/687785347.db2.gz FVICCEDMCQNCBB-BBRMVZONSA-N 2 1 318.421 0.746 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958599585 687786496 /nfs/dbraw/zinc/78/64/96/687786496.db2.gz RQGISFHVOZFCNL-XJKSGUPXSA-N 2 1 318.421 0.746 20 30 DCEDMP C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958599585 687786503 /nfs/dbraw/zinc/78/65/03/687786503.db2.gz RQGISFHVOZFCNL-XJKSGUPXSA-N 2 1 318.421 0.746 20 30 DCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961579532 688660806 /nfs/dbraw/zinc/66/08/06/688660806.db2.gz FIIHMBCGELUTAZ-QXSJWSMHSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000961579532 688660801 /nfs/dbraw/zinc/66/08/01/688660801.db2.gz FIIHMBCGELUTAZ-QXSJWSMHSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000961579532 688660803 /nfs/dbraw/zinc/66/08/03/688660803.db2.gz FIIHMBCGELUTAZ-QXSJWSMHSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961579532 688660805 /nfs/dbraw/zinc/66/08/05/688660805.db2.gz FIIHMBCGELUTAZ-QXSJWSMHSA-N 2 1 305.422 0.165 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](CC)OC)CC1 ZINC001039042864 694284315 /nfs/dbraw/zinc/28/43/15/694284315.db2.gz YHPRRXATQMMBQM-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966170857 689665606 /nfs/dbraw/zinc/66/56/06/689665606.db2.gz YNQRVUBECFFYEI-GDBMZVCRSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966170857 689665610 /nfs/dbraw/zinc/66/56/10/689665610.db2.gz YNQRVUBECFFYEI-GDBMZVCRSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968913081 690423239 /nfs/dbraw/zinc/42/32/39/690423239.db2.gz BHYAWPKOCYAXIT-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968913081 690423243 /nfs/dbraw/zinc/42/32/43/690423243.db2.gz BHYAWPKOCYAXIT-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913081 690423249 /nfs/dbraw/zinc/42/32/49/690423249.db2.gz BHYAWPKOCYAXIT-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913081 690423253 /nfs/dbraw/zinc/42/32/53/690423253.db2.gz BHYAWPKOCYAXIT-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000968956853 690434906 /nfs/dbraw/zinc/43/49/06/690434906.db2.gz WZSOWVFQSAUKAC-XHSDSOJGSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000968956853 690434908 /nfs/dbraw/zinc/43/49/08/690434908.db2.gz WZSOWVFQSAUKAC-XHSDSOJGSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008825459 690930999 /nfs/dbraw/zinc/93/09/99/690930999.db2.gz DJWOQCRSSDWBQM-INIZCTEOSA-N 2 1 317.437 0.662 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001009631455 691078254 /nfs/dbraw/zinc/07/82/54/691078254.db2.gz YRIWZFDOEYUMNE-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015307090 692259157 /nfs/dbraw/zinc/25/91/57/692259157.db2.gz NCWGLATVKFVKJV-AWEZNQCLSA-N 2 1 300.406 0.976 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015307090 692259160 /nfs/dbraw/zinc/25/91/60/692259160.db2.gz NCWGLATVKFVKJV-AWEZNQCLSA-N 2 1 300.406 0.976 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826648 692457467 /nfs/dbraw/zinc/45/74/67/692457467.db2.gz HFONMRNLFGCPRX-HNNXBMFYSA-N 2 1 303.410 0.272 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826648 692457470 /nfs/dbraw/zinc/45/74/70/692457470.db2.gz HFONMRNLFGCPRX-HNNXBMFYSA-N 2 1 303.410 0.272 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](CC)OC)C2)CC1 ZINC001016337162 692656716 /nfs/dbraw/zinc/65/67/16/692656716.db2.gz POFPYVHBFBVBIB-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016690697 692748133 /nfs/dbraw/zinc/74/81/33/692748133.db2.gz SMGUHPYOCGWZSU-BZUAXINKSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016690697 692748136 /nfs/dbraw/zinc/74/81/36/692748136.db2.gz SMGUHPYOCGWZSU-BZUAXINKSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001018048918 693035353 /nfs/dbraw/zinc/03/53/53/693035353.db2.gz OTFLXCNGBVSSLL-IYBDPMFKSA-N 2 1 317.437 0.920 20 30 DCEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001018048918 693035354 /nfs/dbraw/zinc/03/53/54/693035354.db2.gz OTFLXCNGBVSSLL-IYBDPMFKSA-N 2 1 317.437 0.920 20 30 DCEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760442 694661316 /nfs/dbraw/zinc/66/13/16/694661316.db2.gz AXFUFTNHMLDLLJ-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760442 694661317 /nfs/dbraw/zinc/66/13/17/694661317.db2.gz AXFUFTNHMLDLLJ-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760442 694661318 /nfs/dbraw/zinc/66/13/18/694661318.db2.gz AXFUFTNHMLDLLJ-JKSUJKDBSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605693 694750427 /nfs/dbraw/zinc/75/04/27/694750427.db2.gz QXZSAYLAZAYKRH-CVEARBPZSA-N 2 1 305.422 0.169 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605693 694750428 /nfs/dbraw/zinc/75/04/28/694750428.db2.gz QXZSAYLAZAYKRH-CVEARBPZSA-N 2 1 305.422 0.169 20 30 DCEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074385644 694882909 /nfs/dbraw/zinc/88/29/09/694882909.db2.gz VNHYEYYVKQJYQS-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074385644 694882913 /nfs/dbraw/zinc/88/29/13/694882913.db2.gz VNHYEYYVKQJYQS-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001074880480 694928247 /nfs/dbraw/zinc/92/82/47/694928247.db2.gz ANJIYPQXRMURJI-NOLJZWGESA-N 2 1 300.406 0.966 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940376 694987626 /nfs/dbraw/zinc/98/76/26/694987626.db2.gz LQJMXSSZKPKZQW-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940376 694987627 /nfs/dbraw/zinc/98/76/27/694987627.db2.gz LQJMXSSZKPKZQW-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940376 694987628 /nfs/dbraw/zinc/98/76/28/694987628.db2.gz LQJMXSSZKPKZQW-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940376 694987629 /nfs/dbraw/zinc/98/76/29/694987629.db2.gz LQJMXSSZKPKZQW-QKPAOTATSA-N 2 1 307.438 0.814 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076345073 695015815 /nfs/dbraw/zinc/01/58/15/695015815.db2.gz MQIQEKDDQVHKFE-GOEBONIOSA-N 2 1 315.421 0.224 20 30 DCEDMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001570545799 1162541958 /nfs/dbraw/zinc/54/19/58/1162541958.db2.gz XZUFVEGVMITXDB-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001570545799 1162541967 /nfs/dbraw/zinc/54/19/67/1162541967.db2.gz XZUFVEGVMITXDB-IRXDYDNUSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001570710381 1162591716 /nfs/dbraw/zinc/59/17/16/1162591716.db2.gz HHMZAUVOIHTDAC-AWEZNQCLSA-N 2 1 305.426 0.518 20 30 DCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001570767582 1162617910 /nfs/dbraw/zinc/61/79/10/1162617910.db2.gz JAQHGSUIHKPYLW-UHFFFAOYSA-N 2 1 307.438 0.601 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001570846112 1162633898 /nfs/dbraw/zinc/63/38/98/1162633898.db2.gz WHWNPNXXNWOPDY-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001570846112 1162633902 /nfs/dbraw/zinc/63/39/02/1162633902.db2.gz WHWNPNXXNWOPDY-ZBFHGGJFSA-N 2 1 307.438 0.557 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001571596828 1162840411 /nfs/dbraw/zinc/84/04/11/1162840411.db2.gz ACZOHWGMBISWKZ-KRWDZBQOSA-N 2 1 317.433 0.551 20 30 DCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001571596828 1162840420 /nfs/dbraw/zinc/84/04/20/1162840420.db2.gz ACZOHWGMBISWKZ-KRWDZBQOSA-N 2 1 317.433 0.551 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOCC)C1 ZINC001691149819 1157596810 /nfs/dbraw/zinc/59/68/10/1157596810.db2.gz YYZGYWREXZKAQC-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001752310717 1157910041 /nfs/dbraw/zinc/91/00/41/1157910041.db2.gz RVIVQLSSLSDWBJ-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001752310717 1157910046 /nfs/dbraw/zinc/91/00/46/1157910046.db2.gz RVIVQLSSLSDWBJ-UHFFFAOYSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001691777806 1157953341 /nfs/dbraw/zinc/95/33/41/1157953341.db2.gz ICZDMDNQCATSNX-CVEARBPZSA-N 2 1 303.406 0.950 20 30 DCEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001691777806 1157953343 /nfs/dbraw/zinc/95/33/43/1157953343.db2.gz ICZDMDNQCATSNX-CVEARBPZSA-N 2 1 303.406 0.950 20 30 DCEDMP CC[N@@H+](C)CCC(=O)NCC1=CC[NH+](CC#CCOC)CC1 ZINC001571697620 1162908630 /nfs/dbraw/zinc/90/86/30/1162908630.db2.gz IDIPQZFBLPIDRQ-UHFFFAOYSA-N 2 1 307.438 0.726 20 30 DCEDMP CC[NH+](C)CCC(=O)NCC1=CC[N@H+](CC#CCOC)CC1 ZINC001571697620 1162908640 /nfs/dbraw/zinc/90/86/40/1162908640.db2.gz IDIPQZFBLPIDRQ-UHFFFAOYSA-N 2 1 307.438 0.726 20 30 DCEDMP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+](CC#CCOC)CC1 ZINC001571697620 1162908648 /nfs/dbraw/zinc/90/86/48/1162908648.db2.gz IDIPQZFBLPIDRQ-UHFFFAOYSA-N 2 1 307.438 0.726 20 30 DCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001571698630 1162912923 /nfs/dbraw/zinc/91/29/23/1162912923.db2.gz MCWZJRGXDYTOBX-KRWDZBQOSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001571698630 1162912929 /nfs/dbraw/zinc/91/29/29/1162912929.db2.gz MCWZJRGXDYTOBX-KRWDZBQOSA-N 2 1 319.449 0.726 20 30 DCEDMP COCC#CC[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001571698630 1162912937 /nfs/dbraw/zinc/91/29/37/1162912937.db2.gz MCWZJRGXDYTOBX-KRWDZBQOSA-N 2 1 319.449 0.726 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001691609855 1158356052 /nfs/dbraw/zinc/35/60/52/1158356052.db2.gz LYXDSQRIIKCGSC-QGZVFWFLSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCOC)CC1 ZINC001691666944 1158692095 /nfs/dbraw/zinc/69/20/95/1158692095.db2.gz HLWWKZMSHWFIJQ-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCOC)CC1 ZINC001691666944 1158692098 /nfs/dbraw/zinc/69/20/98/1158692098.db2.gz HLWWKZMSHWFIJQ-WBVHZDCISA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001566036281 1159951511 /nfs/dbraw/zinc/95/15/11/1159951511.db2.gz XPKXBDNXOOAXJU-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001566036281 1159951517 /nfs/dbraw/zinc/95/15/17/1159951517.db2.gz XPKXBDNXOOAXJU-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001566036281 1159951521 /nfs/dbraw/zinc/95/15/21/1159951521.db2.gz XPKXBDNXOOAXJU-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566627685 1160100992 /nfs/dbraw/zinc/10/09/92/1160100992.db2.gz JOZVUUVZSAGILP-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566627685 1160100997 /nfs/dbraw/zinc/10/09/97/1160100997.db2.gz JOZVUUVZSAGILP-LSDHHAIUSA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001569136588 1160955372 /nfs/dbraw/zinc/95/53/72/1160955372.db2.gz VLHFWZRGAKPSBR-KBPBESRZSA-N 2 1 310.442 0.162 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001570048823 1161394788 /nfs/dbraw/zinc/39/47/88/1161394788.db2.gz XKNVXEJCZJZEFO-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001570048823 1161394793 /nfs/dbraw/zinc/39/47/93/1161394793.db2.gz XKNVXEJCZJZEFO-JYJNAYRXSA-N 2 1 307.438 0.605 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001570144884 1161444182 /nfs/dbraw/zinc/44/41/82/1161444182.db2.gz YJHNJLFUEPVBKE-CQSZACIVSA-N 2 1 320.393 0.190 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001574603801 1163734271 /nfs/dbraw/zinc/73/42/71/1163734271.db2.gz DOFZEPTYQOXYSD-AWEZNQCLSA-N 2 1 318.425 0.278 20 30 DCEDMP C#CCN(C(=O)NCc1c[nH+]c(N(C)C)n1C)C1CC[NH2+]CC1 ZINC001574591008 1163734667 /nfs/dbraw/zinc/73/46/67/1163734667.db2.gz TWQKTLHZXREUTB-UHFFFAOYSA-N 2 1 318.425 0.383 20 30 DCEDMP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC001580038210 1165481477 /nfs/dbraw/zinc/48/14/77/1165481477.db2.gz HJHVXGYRJAHNOU-HUUCEWRRSA-N 2 1 318.425 0.819 20 30 DCEDMP N#Cc1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cs1 ZINC001580061984 1165489068 /nfs/dbraw/zinc/48/90/68/1165489068.db2.gz RLPSQZGUSNNRHZ-YUTCNCBUSA-N 2 1 318.402 0.987 20 30 DCEDMP N#Cc1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cs1 ZINC001580061984 1165489075 /nfs/dbraw/zinc/48/90/75/1165489075.db2.gz RLPSQZGUSNNRHZ-YUTCNCBUSA-N 2 1 318.402 0.987 20 30 DCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001663620900 1174334209 /nfs/dbraw/zinc/33/42/09/1174334209.db2.gz RRKXWULCTCLQDJ-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccnn1C ZINC001663988753 1174380144 /nfs/dbraw/zinc/38/01/44/1174380144.db2.gz LPJYUYNGXGZISA-HNNXBMFYSA-N 2 1 303.410 0.066 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccnn1C ZINC001663988753 1174380147 /nfs/dbraw/zinc/38/01/47/1174380147.db2.gz LPJYUYNGXGZISA-HNNXBMFYSA-N 2 1 303.410 0.066 20 30 DCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001665642544 1174546284 /nfs/dbraw/zinc/54/62/84/1174546284.db2.gz VZHZOHCVLTWDBF-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001665642544 1174546289 /nfs/dbraw/zinc/54/62/89/1174546289.db2.gz VZHZOHCVLTWDBF-HNNXBMFYSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)CC ZINC001668092754 1174756117 /nfs/dbraw/zinc/75/61/17/1174756117.db2.gz XXVNPACXWWCHFF-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)CC ZINC001668092754 1174756120 /nfs/dbraw/zinc/75/61/20/1174756120.db2.gz XXVNPACXWWCHFF-GJZGRUSLSA-N 2 1 322.453 0.047 20 30 DCEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001672451577 1175109007 /nfs/dbraw/zinc/10/90/07/1175109007.db2.gz NWSLBXWHAXVOLG-MRXNPFEDSA-N 2 1 308.470 0.827 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001673677021 1175223634 /nfs/dbraw/zinc/22/36/34/1175223634.db2.gz ZPSFMAIFRBSQBA-NVXWUHKLSA-N 2 1 309.454 0.990 20 30 DCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001673924012 1175241529 /nfs/dbraw/zinc/24/15/29/1175241529.db2.gz SXKPJRWCSOJRHK-HOTGVXAUSA-N 2 1 309.454 0.805 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001675553774 1175371772 /nfs/dbraw/zinc/37/17/72/1175371772.db2.gz UCFQEGCJAVVQIY-PHZGNYQRSA-N 2 1 307.438 0.579 20 30 DCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001675553774 1175371776 /nfs/dbraw/zinc/37/17/76/1175371776.db2.gz UCFQEGCJAVVQIY-PHZGNYQRSA-N 2 1 307.438 0.579 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCn2cncc2C1 ZINC001676114700 1175421505 /nfs/dbraw/zinc/42/15/05/1175421505.db2.gz OEXBVXOWTMIPGV-AWEZNQCLSA-N 2 1 304.394 0.143 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC(C)(C)C ZINC001676541435 1175457649 /nfs/dbraw/zinc/45/76/49/1175457649.db2.gz QPZIJMXTIVIGMJ-GJZGRUSLSA-N 2 1 309.454 0.587 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC(C)(C)C ZINC001676541435 1175457653 /nfs/dbraw/zinc/45/76/53/1175457653.db2.gz QPZIJMXTIVIGMJ-GJZGRUSLSA-N 2 1 309.454 0.587 20 30 DCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001676584409 1175464553 /nfs/dbraw/zinc/46/45/53/1175464553.db2.gz WOWWXGMTOJNNFS-BBRMVZONSA-N 2 1 315.433 0.842 20 30 DCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001677138592 1175534565 /nfs/dbraw/zinc/53/45/65/1175534565.db2.gz UTJPYFZECAKVOY-JKSUJKDBSA-N 2 1 305.422 0.884 20 30 DCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001677511401 1175572854 /nfs/dbraw/zinc/57/28/54/1175572854.db2.gz RMGATQVJSICANG-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001689083577 1176692999 /nfs/dbraw/zinc/69/29/99/1176692999.db2.gz MRGDGXWCDPICTJ-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001690376938 1177227939 /nfs/dbraw/zinc/22/79/39/1177227939.db2.gz RDUDKPVJZJCFRM-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001690376938 1177227947 /nfs/dbraw/zinc/22/79/47/1177227947.db2.gz RDUDKPVJZJCFRM-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001690376938 1177227955 /nfs/dbraw/zinc/22/79/55/1177227955.db2.gz RDUDKPVJZJCFRM-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001690584854 1177275939 /nfs/dbraw/zinc/27/59/39/1177275939.db2.gz UTWUJJRFOMSBOT-ZFWWWQNUSA-N 2 1 322.453 0.352 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001698570409 1177564700 /nfs/dbraw/zinc/56/47/00/1177564700.db2.gz UJKNRYDQQMLZBC-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001698570409 1177564704 /nfs/dbraw/zinc/56/47/04/1177564704.db2.gz UJKNRYDQQMLZBC-UONOGXRCSA-N 2 1 310.442 0.162 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC#CCOC)CC[N@H+]1C ZINC001698730015 1177620272 /nfs/dbraw/zinc/62/02/72/1177620272.db2.gz PUOFUYDTIMBNOW-IXDOHACOSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001698829226 1177684543 /nfs/dbraw/zinc/68/45/43/1177684543.db2.gz OWCMUGJVBYZUFG-CVEARBPZSA-N 2 1 309.454 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001698827394 1177685021 /nfs/dbraw/zinc/68/50/21/1177685021.db2.gz AOTZSAYIMYUIGR-HOTGVXAUSA-N 2 1 305.422 0.170 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001698827394 1177685023 /nfs/dbraw/zinc/68/50/23/1177685023.db2.gz AOTZSAYIMYUIGR-HOTGVXAUSA-N 2 1 305.422 0.170 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001699590856 1178208029 /nfs/dbraw/zinc/20/80/29/1178208029.db2.gz WWLSHNXODIWGRX-HOCLYGCPSA-N 2 1 307.438 0.462 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699702177 1178256850 /nfs/dbraw/zinc/25/68/50/1178256850.db2.gz SJKXANVOYHBLLD-GOSISDBHSA-N 2 1 321.465 0.902 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700203873 1178529972 /nfs/dbraw/zinc/52/99/72/1178529972.db2.gz VDBMLSODSLRKIR-GJZGRUSLSA-N 2 1 324.469 0.600 20 30 DCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001700233097 1178543125 /nfs/dbraw/zinc/54/31/25/1178543125.db2.gz MXUBDHITBUQUQF-AEFFLSMTSA-N 2 1 321.465 0.826 20 30 DCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001700243702 1178551413 /nfs/dbraw/zinc/55/14/13/1178551413.db2.gz XKPOQAKHWRRJJX-NVXWUHKLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001700301390 1178572588 /nfs/dbraw/zinc/57/25/88/1178572588.db2.gz MPLKPSHJQCDXGH-HNNXBMFYSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700358581 1178595488 /nfs/dbraw/zinc/59/54/88/1178595488.db2.gz YFRQBXPYHLWXDH-HUUCEWRRSA-N 2 1 324.469 0.552 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001700848370 1178776617 /nfs/dbraw/zinc/77/66/17/1178776617.db2.gz DSTNKLUGSGKOMX-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC001700926152 1178806491 /nfs/dbraw/zinc/80/64/91/1178806491.db2.gz JUZRZBDNDREKLH-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC001700926152 1178806500 /nfs/dbraw/zinc/80/65/00/1178806500.db2.gz JUZRZBDNDREKLH-CABCVRRESA-N 2 1 307.438 0.557 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001700939789 1178816575 /nfs/dbraw/zinc/81/65/75/1178816575.db2.gz URBHPCFLRDJGPQ-IAGOWNOFSA-N 2 1 321.465 0.826 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001713077034 1180669379 /nfs/dbraw/zinc/66/93/79/1180669379.db2.gz NXHQSBAARRZJOW-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001713469571 1180847724 /nfs/dbraw/zinc/84/77/24/1180847724.db2.gz QSUFYXOUODRBQI-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001713469571 1180847738 /nfs/dbraw/zinc/84/77/38/1180847738.db2.gz QSUFYXOUODRBQI-CQSZACIVSA-N 2 1 324.469 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCC(C)C)C1 ZINC001713950862 1181168427 /nfs/dbraw/zinc/16/84/27/1181168427.db2.gz IVWQCNYIXPPCCZ-ULQDDVLXSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCC(C)C)C1 ZINC001713950862 1181168432 /nfs/dbraw/zinc/16/84/32/1181168432.db2.gz IVWQCNYIXPPCCZ-ULQDDVLXSA-N 2 1 321.465 0.993 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001713987779 1181186135 /nfs/dbraw/zinc/18/61/35/1181186135.db2.gz BBJOBSGECYEXGD-OWCLPIDISA-N 2 1 307.438 0.747 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccns1 ZINC001714244122 1181293193 /nfs/dbraw/zinc/29/31/93/1181293193.db2.gz NQOUKJIMYCKCGH-ZFWWWQNUSA-N 2 1 320.462 0.878 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccns1 ZINC001714244122 1181293197 /nfs/dbraw/zinc/29/31/97/1181293197.db2.gz NQOUKJIMYCKCGH-ZFWWWQNUSA-N 2 1 320.462 0.878 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001714256868 1181296457 /nfs/dbraw/zinc/29/64/57/1181296457.db2.gz SZICGPHHKCRTJK-JSGCOSHPSA-N 2 1 319.409 0.073 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714542151 1181408161 /nfs/dbraw/zinc/40/81/61/1181408161.db2.gz QTDCGBVGLIVCGS-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714542151 1181408164 /nfs/dbraw/zinc/40/81/64/1181408164.db2.gz QTDCGBVGLIVCGS-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714542151 1181408169 /nfs/dbraw/zinc/40/81/69/1181408169.db2.gz QTDCGBVGLIVCGS-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCOC)C1 ZINC001714635716 1181453054 /nfs/dbraw/zinc/45/30/54/1181453054.db2.gz QGUBBESDCKLHCZ-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCOC)C1 ZINC001714635716 1181453062 /nfs/dbraw/zinc/45/30/62/1181453062.db2.gz QGUBBESDCKLHCZ-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCOC)C1 ZINC001714635716 1181453065 /nfs/dbraw/zinc/45/30/65/1181453065.db2.gz QGUBBESDCKLHCZ-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCOC)C1 ZINC001714635716 1181453070 /nfs/dbraw/zinc/45/30/70/1181453070.db2.gz QGUBBESDCKLHCZ-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001715741400 1181970682 /nfs/dbraw/zinc/97/06/82/1181970682.db2.gz BWQVURYUWKXPRC-LSDHHAIUSA-N 2 1 324.469 0.600 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1oc(C)nc1C ZINC001716440468 1182391020 /nfs/dbraw/zinc/39/10/20/1182391020.db2.gz FAZTUEJTFATBPL-WFASDCNBSA-N 2 1 318.421 0.983 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1oc(C)nc1C ZINC001716440468 1182391026 /nfs/dbraw/zinc/39/10/26/1182391026.db2.gz FAZTUEJTFATBPL-WFASDCNBSA-N 2 1 318.421 0.983 20 30 DCEDMP CC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001716907418 1182565053 /nfs/dbraw/zinc/56/50/53/1182565053.db2.gz AVVJDBOHJIPBGN-OAHLLOKOSA-N 2 1 307.438 0.607 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCO1 ZINC001717172139 1182708397 /nfs/dbraw/zinc/70/83/97/1182708397.db2.gz FZCOTKIDZYQGNC-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001717197642 1182726359 /nfs/dbraw/zinc/72/63/59/1182726359.db2.gz BQVSEGLJJKOSPC-OAHLLOKOSA-N 2 1 324.469 0.601 20 30 DCEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001717918383 1183059712 /nfs/dbraw/zinc/05/97/12/1183059712.db2.gz KQNHBZVYEIMGHP-HOTGVXAUSA-N 2 1 307.438 0.436 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001724628063 1184479323 /nfs/dbraw/zinc/47/93/23/1184479323.db2.gz ZSIOZRXSWZAZFL-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001724628063 1184479328 /nfs/dbraw/zinc/47/93/28/1184479328.db2.gz ZSIOZRXSWZAZFL-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001724628063 1184479331 /nfs/dbraw/zinc/47/93/31/1184479331.db2.gz ZSIOZRXSWZAZFL-ZACQAIPSSA-N 2 1 319.449 0.368 20 30 DCEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001724862084 1184595532 /nfs/dbraw/zinc/59/55/32/1184595532.db2.gz YYKLHOQHFZAGTI-INIZCTEOSA-N 2 1 309.454 0.758 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001724976735 1184641007 /nfs/dbraw/zinc/64/10/07/1184641007.db2.gz PWKCLGJFLUYUJM-UHFFFAOYSA-N 2 1 320.481 0.570 20 30 DCEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001724976735 1184641010 /nfs/dbraw/zinc/64/10/10/1184641010.db2.gz PWKCLGJFLUYUJM-UHFFFAOYSA-N 2 1 320.481 0.570 20 30 DCEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001725314789 1184765799 /nfs/dbraw/zinc/76/57/99/1184765799.db2.gz FUKBYWOZAPEYKJ-PHZGNYQRSA-N 2 1 307.438 0.272 20 30 DCEDMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001725314789 1184765804 /nfs/dbraw/zinc/76/58/04/1184765804.db2.gz FUKBYWOZAPEYKJ-PHZGNYQRSA-N 2 1 307.438 0.272 20 30 DCEDMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001725314789 1184765809 /nfs/dbraw/zinc/76/58/09/1184765809.db2.gz FUKBYWOZAPEYKJ-PHZGNYQRSA-N 2 1 307.438 0.272 20 30 DCEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001725467453 1184836488 /nfs/dbraw/zinc/83/64/88/1184836488.db2.gz IEFLZIBRLOZGQQ-INIZCTEOSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccon2)CC1 ZINC001725526635 1184859879 /nfs/dbraw/zinc/85/98/79/1184859879.db2.gz WZIXTRPISKXAGX-CQSZACIVSA-N 2 1 318.421 0.956 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001725612321 1184911411 /nfs/dbraw/zinc/91/14/11/1184911411.db2.gz VHIZOAUNICTGNB-WBVHZDCISA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+](CCNC(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC001731884080 1185547524 /nfs/dbraw/zinc/54/75/24/1185547524.db2.gz SBMKFEFMXJLYGA-UHFFFAOYSA-N 2 1 301.434 0.936 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001733079399 1186127348 /nfs/dbraw/zinc/12/73/48/1186127348.db2.gz NLEJDICJKLVZPT-IAGOWNOFSA-N 2 1 321.465 0.997 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001733491023 1186299585 /nfs/dbraw/zinc/29/95/85/1186299585.db2.gz ALJQDNPCFBSSBE-KRWDZBQOSA-N 2 1 309.454 0.992 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001733495171 1186303854 /nfs/dbraw/zinc/30/38/54/1186303854.db2.gz MPXJEDVYXPGKAS-GOSISDBHSA-N 2 1 321.465 0.683 20 30 DCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001733507366 1186315697 /nfs/dbraw/zinc/31/56/97/1186315697.db2.gz JIRCJBSNDFKMMK-UHFFFAOYSA-N 2 1 309.454 0.846 20 30 DCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001733614797 1186368951 /nfs/dbraw/zinc/36/89/51/1186368951.db2.gz BYVSXIXOPYEEBK-INIZCTEOSA-N 2 1 321.465 0.685 20 30 DCEDMP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001733987256 1186515278 /nfs/dbraw/zinc/51/52/78/1186515278.db2.gz JYMMDPMPBPLRGK-OLZOCXBDSA-N 2 1 304.394 1.000 20 30 DCEDMP C=CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001734355984 1186621778 /nfs/dbraw/zinc/62/17/78/1186621778.db2.gz IMMUEMPICMOKTI-CABCVRRESA-N 2 1 324.469 0.550 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001753331889 1186979940 /nfs/dbraw/zinc/97/99/40/1186979940.db2.gz CNDVAMMUFOHFEM-MRXNPFEDSA-N 2 1 321.465 0.949 20 30 DCEDMP C[NH+]1CCC(CC(=O)NCCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001752351724 1188416337 /nfs/dbraw/zinc/41/63/37/1188416337.db2.gz AHMXDIOBRODKMH-UHFFFAOYSA-N 2 1 321.469 0.366 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC#CCOC ZINC001755039075 1189002881 /nfs/dbraw/zinc/00/28/81/1189002881.db2.gz KFLHKWZXWVSNAY-KRWDZBQOSA-N 2 1 319.449 0.514 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC#CCOC ZINC001755039075 1189002885 /nfs/dbraw/zinc/00/28/85/1189002885.db2.gz KFLHKWZXWVSNAY-KRWDZBQOSA-N 2 1 319.449 0.514 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC#CCOC ZINC001755039075 1189002890 /nfs/dbraw/zinc/00/28/90/1189002890.db2.gz KFLHKWZXWVSNAY-KRWDZBQOSA-N 2 1 319.449 0.514 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC#CCOC ZINC001755039075 1189002892 /nfs/dbraw/zinc/00/28/92/1189002892.db2.gz KFLHKWZXWVSNAY-KRWDZBQOSA-N 2 1 319.449 0.514 20 30 DCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001755212059 1189056471 /nfs/dbraw/zinc/05/64/71/1189056471.db2.gz BUWMCNHISYBWBY-JCYILVPMSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001755435274 1189111245 /nfs/dbraw/zinc/11/12/45/1189111245.db2.gz DAXHHTBJIXLDLZ-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001755435274 1189111251 /nfs/dbraw/zinc/11/12/51/1189111251.db2.gz DAXHHTBJIXLDLZ-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001755435274 1189111256 /nfs/dbraw/zinc/11/12/56/1189111256.db2.gz DAXHHTBJIXLDLZ-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001755435274 1189111261 /nfs/dbraw/zinc/11/12/61/1189111261.db2.gz DAXHHTBJIXLDLZ-WCXIOVBPSA-N 2 1 321.465 0.967 20 30 DCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001755637303 1189169641 /nfs/dbraw/zinc/16/96/41/1189169641.db2.gz XEYRVRGTFQBZJA-DOTOQJQBSA-N 2 1 321.465 0.874 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001755699321 1189188299 /nfs/dbraw/zinc/18/82/99/1189188299.db2.gz AZNAQGWQZCQKNN-WMLDXEAASA-N 2 1 322.453 0.354 20 30 DCEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#CCOC)[C@@H]1C ZINC001755721002 1189193311 /nfs/dbraw/zinc/19/33/11/1189193311.db2.gz LKVJCRSGUGDCAA-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#CCOC)[C@@H]1C ZINC001755721002 1189193312 /nfs/dbraw/zinc/19/33/12/1189193312.db2.gz LKVJCRSGUGDCAA-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC#CCOC)[C@@H]1C ZINC001755721002 1189193313 /nfs/dbraw/zinc/19/33/13/1189193313.db2.gz LKVJCRSGUGDCAA-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)[C@@H]1C ZINC001755721002 1189193315 /nfs/dbraw/zinc/19/33/15/1189193315.db2.gz LKVJCRSGUGDCAA-HZPDHXFCSA-N 2 1 309.454 0.947 20 30 DCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001755786607 1189212353 /nfs/dbraw/zinc/21/23/53/1189212353.db2.gz GAPNQNOLMACIOF-GDBMZVCRSA-N 2 1 320.437 0.739 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC(C)(C)C1 ZINC001089562255 751440603 /nfs/dbraw/zinc/44/06/03/751440603.db2.gz YPKHVVGYIJSELM-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC(C)(C)C1 ZINC001089562255 751440605 /nfs/dbraw/zinc/44/06/05/751440605.db2.gz YPKHVVGYIJSELM-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089562255 751440609 /nfs/dbraw/zinc/44/06/09/751440609.db2.gz YPKHVVGYIJSELM-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089562255 751440612 /nfs/dbraw/zinc/44/06/12/751440612.db2.gz YPKHVVGYIJSELM-JKSUJKDBSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC(C)(C)C1 ZINC001089562254 751440838 /nfs/dbraw/zinc/44/08/38/751440838.db2.gz YPKHVVGYIJSELM-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC(C)(C)C1 ZINC001089562254 751440841 /nfs/dbraw/zinc/44/08/41/751440841.db2.gz YPKHVVGYIJSELM-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089562254 751440843 /nfs/dbraw/zinc/44/08/43/751440843.db2.gz YPKHVVGYIJSELM-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089562254 751440847 /nfs/dbraw/zinc/44/08/47/751440847.db2.gz YPKHVVGYIJSELM-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP COCC#CC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232938 747031112 /nfs/dbraw/zinc/03/11/12/747031112.db2.gz VCNOSVDDCXHFAS-INIZCTEOSA-N 2 1 321.465 0.854 20 30 DCEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098534985 747048271 /nfs/dbraw/zinc/04/82/71/747048271.db2.gz RDRHYZGZLDCQPW-UHFFFAOYSA-N 2 1 321.465 0.944 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)nn1 ZINC001105272317 748095863 /nfs/dbraw/zinc/09/58/63/748095863.db2.gz GNFVHHHIDRSONI-UHFFFAOYSA-N 2 1 320.441 0.667 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[N@H+](C)CC)C2)nn1 ZINC001105272317 748095874 /nfs/dbraw/zinc/09/58/74/748095874.db2.gz GNFVHHHIDRSONI-UHFFFAOYSA-N 2 1 320.441 0.667 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167814646 748368065 /nfs/dbraw/zinc/36/80/65/748368065.db2.gz AOGHOOKSRUIQNX-UHFFFAOYSA-N 2 1 324.469 0.507 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001105357420 748428708 /nfs/dbraw/zinc/42/87/08/748428708.db2.gz CDQMUQMUNXMWLV-UHFFFAOYSA-N 2 1 306.414 0.279 20 30 DCEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001105357420 748428714 /nfs/dbraw/zinc/42/87/14/748428714.db2.gz CDQMUQMUNXMWLV-UHFFFAOYSA-N 2 1 306.414 0.279 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088328705 749372074 /nfs/dbraw/zinc/37/20/74/749372074.db2.gz BYFJVDUQCULOPP-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088328705 749372080 /nfs/dbraw/zinc/37/20/80/749372080.db2.gz BYFJVDUQCULOPP-CVEARBPZSA-N 2 1 307.438 0.437 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299680 750333297 /nfs/dbraw/zinc/33/32/97/750333297.db2.gz MZXWBKJATFFNBW-HUUCEWRRSA-N 2 1 307.438 0.742 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666014 751221816 /nfs/dbraw/zinc/22/18/16/751221816.db2.gz DYTPMFAAGLNERL-GVDBMIGSSA-N 2 1 321.465 0.662 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](C(C)C)CCO1 ZINC001108003144 752898007 /nfs/dbraw/zinc/89/80/07/752898007.db2.gz BNLWGRYEYPCDJM-DOTOQJQBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001108003144 752898010 /nfs/dbraw/zinc/89/80/10/752898010.db2.gz BNLWGRYEYPCDJM-DOTOQJQBSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058711 753453714 /nfs/dbraw/zinc/45/37/14/753453714.db2.gz RLUYTDYDVUIHAN-KRWDZBQOSA-N 2 1 318.465 0.180 20 30 DCEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084115 753473197 /nfs/dbraw/zinc/47/31/97/753473197.db2.gz KEZAOGYIVPEKLX-INIZCTEOSA-N 2 1 317.437 0.596 20 30 DCEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084115 753473201 /nfs/dbraw/zinc/47/32/01/753473201.db2.gz KEZAOGYIVPEKLX-INIZCTEOSA-N 2 1 317.437 0.596 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046325940 753646816 /nfs/dbraw/zinc/64/68/16/753646816.db2.gz FFIMERIJAAUKJY-QGZVFWFLSA-N 2 1 317.437 0.662 20 30 DCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500715 753752172 /nfs/dbraw/zinc/75/21/72/753752172.db2.gz DAJOZJSIYNNGNZ-OGOZQZCJSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046500715 753752180 /nfs/dbraw/zinc/75/21/80/753752180.db2.gz DAJOZJSIYNNGNZ-OGOZQZCJSA-N 2 1 305.422 0.616 20 30 DCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046500715 753752186 /nfs/dbraw/zinc/75/21/86/753752186.db2.gz DAJOZJSIYNNGNZ-OGOZQZCJSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](C[C@@H](CC)OC)C2)CC1 ZINC001044335552 753804468 /nfs/dbraw/zinc/80/44/68/753804468.db2.gz JOMXTKAJSOYQGE-QGZVFWFLSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC001047638170 754452306 /nfs/dbraw/zinc/45/23/06/754452306.db2.gz FFEJTZGZHLIDRQ-IRXDYDNUSA-N 2 1 319.449 0.411 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C(C)C)C[C@@H]2O)CC1 ZINC001047638214 754452793 /nfs/dbraw/zinc/45/27/93/754452793.db2.gz HIGVKTJDDWTOCM-HOTGVXAUSA-N 2 1 307.438 0.244 20 30 DCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090257711 754469386 /nfs/dbraw/zinc/46/93/86/754469386.db2.gz AYCLTLPMCOXNDC-HUUCEWRRSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824219 754962542 /nfs/dbraw/zinc/96/25/42/754962542.db2.gz VMLOOBFXWIMUQE-IXDOHACOSA-N 2 1 301.434 0.742 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCOC)C2)CC1 ZINC001072095569 762352919 /nfs/dbraw/zinc/35/29/19/762352919.db2.gz KPOZOMPQKVAYDK-RDJZCZTQSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]2C1 ZINC001049234867 755196438 /nfs/dbraw/zinc/19/64/38/755196438.db2.gz IXNOPAUUSWCTRM-HDICACEKSA-N 2 1 313.445 0.745 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049548720 755311020 /nfs/dbraw/zinc/31/10/20/755311020.db2.gz LUCIIVXEGBJVOU-QKPAOTATSA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049548720 755311025 /nfs/dbraw/zinc/31/10/25/755311025.db2.gz LUCIIVXEGBJVOU-QKPAOTATSA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049548720 755311029 /nfs/dbraw/zinc/31/10/29/755311029.db2.gz LUCIIVXEGBJVOU-QKPAOTATSA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049548720 755311034 /nfs/dbraw/zinc/31/10/34/755311034.db2.gz LUCIIVXEGBJVOU-QKPAOTATSA-N 2 1 305.422 0.404 20 30 DCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791107 755401106 /nfs/dbraw/zinc/40/11/06/755401106.db2.gz PWGSBUMWNHGKLG-HZPDHXFCSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791107 755401108 /nfs/dbraw/zinc/40/11/08/755401108.db2.gz PWGSBUMWNHGKLG-HZPDHXFCSA-N 2 1 305.422 0.407 20 30 DCEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828264 755415472 /nfs/dbraw/zinc/41/54/72/755415472.db2.gz OAEDPPFEBSHFHN-SJORKVTESA-N 2 1 319.449 0.796 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)O2 ZINC001053698876 756151951 /nfs/dbraw/zinc/15/19/51/756151951.db2.gz XJIIMAZNQZCCOG-LSDHHAIUSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001053698876 756151952 /nfs/dbraw/zinc/15/19/52/756151952.db2.gz XJIIMAZNQZCCOG-LSDHHAIUSA-N 2 1 305.422 0.311 20 30 DCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659371 756743682 /nfs/dbraw/zinc/74/36/82/756743682.db2.gz YIQULPCVQBBLTQ-OWCLPIDISA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081659371 756743685 /nfs/dbraw/zinc/74/36/85/756743685.db2.gz YIQULPCVQBBLTQ-OWCLPIDISA-N 2 1 307.438 0.698 20 30 DCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081659371 756743687 /nfs/dbraw/zinc/74/36/87/756743687.db2.gz YIQULPCVQBBLTQ-OWCLPIDISA-N 2 1 307.438 0.698 20 30 DCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672616 756751308 /nfs/dbraw/zinc/75/13/08/756751308.db2.gz CJBGGWCVQANZNT-BZUAXINKSA-N 2 1 307.438 0.720 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001082053094 756908466 /nfs/dbraw/zinc/90/84/66/756908466.db2.gz XVUMJIWYSRTWRW-ARFHVFGLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082053094 756908468 /nfs/dbraw/zinc/90/84/68/756908468.db2.gz XVUMJIWYSRTWRW-ARFHVFGLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053094 756908469 /nfs/dbraw/zinc/90/84/69/756908469.db2.gz XVUMJIWYSRTWRW-ARFHVFGLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053094 756908472 /nfs/dbraw/zinc/90/84/72/756908472.db2.gz XVUMJIWYSRTWRW-ARFHVFGLSA-N 2 1 307.438 0.557 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2OC)CC1 ZINC001082384232 757089800 /nfs/dbraw/zinc/08/98/00/757089800.db2.gz KNSZKPLXGCNNLN-IAGOWNOFSA-N 2 1 319.449 0.557 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001082525478 757177311 /nfs/dbraw/zinc/17/73/11/757177311.db2.gz SJSBFBAHOYOYMM-DAXOMENPSA-N 2 1 315.421 0.860 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001082525478 757177317 /nfs/dbraw/zinc/17/73/17/757177317.db2.gz SJSBFBAHOYOYMM-DAXOMENPSA-N 2 1 315.421 0.860 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001050207326 757489136 /nfs/dbraw/zinc/48/91/36/757489136.db2.gz ZVHORGKATHHWKM-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001050207326 757489141 /nfs/dbraw/zinc/48/91/41/757489141.db2.gz ZVHORGKATHHWKM-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050207326 757489147 /nfs/dbraw/zinc/48/91/47/757489147.db2.gz ZVHORGKATHHWKM-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050207326 757489151 /nfs/dbraw/zinc/48/91/51/757489151.db2.gz ZVHORGKATHHWKM-GVDBMIGSSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085096588 758208980 /nfs/dbraw/zinc/20/89/80/758208980.db2.gz JUKSMBLYUFOPBH-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085096588 758208986 /nfs/dbraw/zinc/20/89/86/758208986.db2.gz JUKSMBLYUFOPBH-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096588 758208994 /nfs/dbraw/zinc/20/89/94/758208994.db2.gz JUKSMBLYUFOPBH-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096588 758208998 /nfs/dbraw/zinc/20/89/98/758208998.db2.gz JUKSMBLYUFOPBH-IKGGRYGDSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001085252691 758785382 /nfs/dbraw/zinc/78/53/82/758785382.db2.gz BUWPEBGFLIUXFF-ZIAGYGMSSA-N 2 1 304.394 1.000 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CCC2)C1 ZINC001051660423 758842351 /nfs/dbraw/zinc/84/23/51/758842351.db2.gz SMSJLNCBNBGJQR-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CCC2)C1 ZINC001051660423 758842359 /nfs/dbraw/zinc/84/23/59/758842359.db2.gz SMSJLNCBNBGJQR-IRXDYDNUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001098396030 762663952 /nfs/dbraw/zinc/66/39/52/762663952.db2.gz LSJPIPBHQXUIAI-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001098396030 762663957 /nfs/dbraw/zinc/66/39/57/762663957.db2.gz LSJPIPBHQXUIAI-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001098396030 762663961 /nfs/dbraw/zinc/66/39/61/762663961.db2.gz LSJPIPBHQXUIAI-INIZCTEOSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098479808 762678558 /nfs/dbraw/zinc/67/85/58/762678558.db2.gz AGXQNGKXIAXOKK-INIZCTEOSA-N 2 1 309.454 0.635 20 30 DCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098533086 762687154 /nfs/dbraw/zinc/68/71/54/762687154.db2.gz RQHTZLFXHNZTIE-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098533086 762687163 /nfs/dbraw/zinc/68/71/63/762687163.db2.gz RQHTZLFXHNZTIE-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098533086 762687167 /nfs/dbraw/zinc/68/71/67/762687167.db2.gz RQHTZLFXHNZTIE-HNNXBMFYSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052072980 759158295 /nfs/dbraw/zinc/15/82/95/759158295.db2.gz DVMFFABCALIDGX-KRWDZBQOSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781851 759304552 /nfs/dbraw/zinc/30/45/52/759304552.db2.gz HALMPDDGENPJJF-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781851 759304562 /nfs/dbraw/zinc/30/45/62/759304562.db2.gz HALMPDDGENPJJF-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781851 759304569 /nfs/dbraw/zinc/30/45/69/759304569.db2.gz HALMPDDGENPJJF-HOTGVXAUSA-N 2 1 307.438 0.652 20 30 DCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086387117 760124504 /nfs/dbraw/zinc/12/45/04/760124504.db2.gz SBUPAVHWXYKVFC-ZOBUZTSGSA-N 2 1 319.449 0.747 20 30 DCEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144190 760322532 /nfs/dbraw/zinc/32/25/32/760322532.db2.gz BDAYEBMJZBUBJY-NSHDSACASA-N 2 1 320.231 0.322 20 30 DCEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144190 760322540 /nfs/dbraw/zinc/32/25/40/760322540.db2.gz BDAYEBMJZBUBJY-NSHDSACASA-N 2 1 320.231 0.322 20 30 DCEDMP C#CCCN1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108398272 760457822 /nfs/dbraw/zinc/45/78/22/760457822.db2.gz DNEZXVWHQULEQQ-INIZCTEOSA-N 2 1 304.394 0.422 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)C[N@H+](CC)CCO2)CC1 ZINC001108419398 760507171 /nfs/dbraw/zinc/50/71/71/760507171.db2.gz KFDJGUPKHNNMFM-QGZVFWFLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)C[N@@H+](CC)CCO2)CC1 ZINC001108419398 760507180 /nfs/dbraw/zinc/50/71/80/760507180.db2.gz KFDJGUPKHNNMFM-QGZVFWFLSA-N 2 1 307.438 0.559 20 30 DCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219973 761143137 /nfs/dbraw/zinc/14/31/37/761143137.db2.gz UZHCTHOPLFPFBG-ILXRZTDVSA-N 2 1 318.425 0.290 20 30 DCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090435817 761671138 /nfs/dbraw/zinc/67/11/38/761671138.db2.gz KQEPIEASQULOHT-CABCVRRESA-N 2 1 300.362 0.685 20 30 DCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001071175337 761683730 /nfs/dbraw/zinc/68/37/30/761683730.db2.gz CKTHEBKPUDBGTB-WBVHZDCISA-N 2 1 319.449 0.796 20 30 DCEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241430 761732481 /nfs/dbraw/zinc/73/24/81/761732481.db2.gz UYWZRAXDPRITNK-NVXWUHKLSA-N 2 1 307.438 0.960 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898581 762748819 /nfs/dbraw/zinc/74/88/19/762748819.db2.gz IDMWVTYQDYLQJF-HPFXQQBRSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898581 762748821 /nfs/dbraw/zinc/74/88/21/762748821.db2.gz IDMWVTYQDYLQJF-HPFXQQBRSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001098898581 762748824 /nfs/dbraw/zinc/74/88/24/762748824.db2.gz IDMWVTYQDYLQJF-HPFXQQBRSA-N 2 1 319.449 0.700 20 30 DCEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001098898581 762748826 /nfs/dbraw/zinc/74/88/26/762748826.db2.gz IDMWVTYQDYLQJF-HPFXQQBRSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970946 768106283 /nfs/dbraw/zinc/10/62/83/768106283.db2.gz OVRMDLZZLIVUJO-XHSDSOJGSA-N 2 1 315.421 0.032 20 30 DCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090489517 763418567 /nfs/dbraw/zinc/41/85/67/763418567.db2.gz NFSFSAIMPDUQRP-CABCVRRESA-N 2 1 307.438 0.436 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090491124 763433424 /nfs/dbraw/zinc/43/34/24/763433424.db2.gz XMHCJPJRJXMQBN-LSDHHAIUSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780527 768139864 /nfs/dbraw/zinc/13/98/64/768139864.db2.gz OQSKPHMHCDBLQU-ANQUJSFKSA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780527 768139867 /nfs/dbraw/zinc/13/98/67/768139867.db2.gz OQSKPHMHCDBLQU-ANQUJSFKSA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780527 768139868 /nfs/dbraw/zinc/13/98/68/768139868.db2.gz OQSKPHMHCDBLQU-ANQUJSFKSA-N 2 1 305.422 0.119 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780527 768139871 /nfs/dbraw/zinc/13/98/71/768139871.db2.gz OQSKPHMHCDBLQU-ANQUJSFKSA-N 2 1 305.422 0.119 20 30 DCEDMP C=CCOCC[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100511818 763624764 /nfs/dbraw/zinc/62/47/64/763624764.db2.gz QRIXHGGSMREZDZ-UHFFFAOYSA-N 2 1 306.410 0.879 20 30 DCEDMP COCC#CC[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131424349 763808101 /nfs/dbraw/zinc/80/81/01/763808101.db2.gz ODYGPBBAUBIQHB-UHFFFAOYSA-N 2 1 304.394 0.118 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406184 764442288 /nfs/dbraw/zinc/44/22/88/764442288.db2.gz FKOHOGVUMLTKQX-GJZGRUSLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466572 764653415 /nfs/dbraw/zinc/65/34/15/764653415.db2.gz QDBKEQWYIGIRLU-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466572 764653421 /nfs/dbraw/zinc/65/34/21/764653421.db2.gz QDBKEQWYIGIRLU-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133005077 764779350 /nfs/dbraw/zinc/77/93/50/764779350.db2.gz UYFQJTSUSIUKBA-CQSZACIVSA-N 2 1 306.410 0.662 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001103099220 764944301 /nfs/dbraw/zinc/94/43/01/764944301.db2.gz DXVPUSIREYTBQQ-ZACQAIPSSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001103099220 764944304 /nfs/dbraw/zinc/94/43/04/764944304.db2.gz DXVPUSIREYTBQQ-ZACQAIPSSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCO)C[C@H]1C ZINC001103099220 764944305 /nfs/dbraw/zinc/94/43/05/764944305.db2.gz DXVPUSIREYTBQQ-ZACQAIPSSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCO)C[C@H]1C ZINC001103099220 764944308 /nfs/dbraw/zinc/94/43/08/764944308.db2.gz DXVPUSIREYTBQQ-ZACQAIPSSA-N 2 1 321.465 0.541 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC#C)C[C@H]1C ZINC001103103532 764945781 /nfs/dbraw/zinc/94/57/81/764945781.db2.gz MQNVZSDPFAVOOO-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC#C)C[C@H]1C ZINC001103103532 764945786 /nfs/dbraw/zinc/94/57/86/764945786.db2.gz MQNVZSDPFAVOOO-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001103103532 764945793 /nfs/dbraw/zinc/94/57/93/764945793.db2.gz MQNVZSDPFAVOOO-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001103103532 764945800 /nfs/dbraw/zinc/94/58/00/764945800.db2.gz MQNVZSDPFAVOOO-ZACQAIPSSA-N 2 1 301.434 0.791 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537143 765076064 /nfs/dbraw/zinc/07/60/64/765076064.db2.gz VHSCJTWVGNOAQI-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537143 765076072 /nfs/dbraw/zinc/07/60/72/765076072.db2.gz VHSCJTWVGNOAQI-IAGOWNOFSA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C)C[C@@H]2O)CC1 ZINC001090829479 766647463 /nfs/dbraw/zinc/64/74/63/766647463.db2.gz BTDBIKVFSXDSOS-HOTGVXAUSA-N 2 1 305.422 0.069 20 30 DCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001091205308 767029051 /nfs/dbraw/zinc/02/90/51/767029051.db2.gz WNNBASYUKFSIPE-SHARSMKWSA-N 2 1 300.406 0.872 20 30 DCEDMP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001120834666 767248146 /nfs/dbraw/zinc/24/81/46/767248146.db2.gz KYWZJAZAAFBRFO-LMBQMVEXSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120879528 767288813 /nfs/dbraw/zinc/28/88/13/767288813.db2.gz VFBUIRTXDGJDRY-LETWWHAPSA-N 2 1 305.422 0.357 20 30 DCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120879528 767288816 /nfs/dbraw/zinc/28/88/16/767288816.db2.gz VFBUIRTXDGJDRY-LETWWHAPSA-N 2 1 305.422 0.357 20 30 DCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588079 769130855 /nfs/dbraw/zinc/13/08/55/769130855.db2.gz MTPOLSZMYCGEGM-HNNXBMFYSA-N 2 1 313.442 0.348 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150796589 769187722 /nfs/dbraw/zinc/18/77/22/769187722.db2.gz WBLBOYNSUSOYIF-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150796589 769187727 /nfs/dbraw/zinc/18/77/27/769187727.db2.gz WBLBOYNSUSOYIF-DLBZAZTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151137756 769270648 /nfs/dbraw/zinc/27/06/48/769270648.db2.gz HTHQYGSPQWSZJM-HZPDHXFCSA-N 2 1 321.465 0.947 20 30 DCEDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCC(CC#N)CC1 ZINC001173327392 769589093 /nfs/dbraw/zinc/58/90/93/769589093.db2.gz AAEHBTNFFGZXRH-BPCQOVAHSA-N 2 1 309.414 0.853 20 30 DCEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001176022556 770003213 /nfs/dbraw/zinc/00/32/13/770003213.db2.gz BQFDLBIXHVRVJC-OAHLLOKOSA-N 2 1 324.469 0.342 20 30 DCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156907918 770962266 /nfs/dbraw/zinc/96/22/66/770962266.db2.gz LQLIYSWENGTSQJ-HZPDHXFCSA-N 2 1 309.454 0.805 20 30 DCEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180265537 771089471 /nfs/dbraw/zinc/08/94/71/771089471.db2.gz UVHXNVWHSXCMRX-MRXNPFEDSA-N 2 1 309.454 0.854 20 30 DCEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001180331717 771107492 /nfs/dbraw/zinc/10/74/92/771107492.db2.gz MYZVURGMCMBUEJ-MRXNPFEDSA-N 2 1 309.454 0.997 20 30 DCEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001180331717 771107494 /nfs/dbraw/zinc/10/74/94/771107494.db2.gz MYZVURGMCMBUEJ-MRXNPFEDSA-N 2 1 309.454 0.997 20 30 DCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180613947 771141664 /nfs/dbraw/zinc/14/16/64/771141664.db2.gz YKKDFQYEEWSYIV-HNNXBMFYSA-N 2 1 322.453 0.340 20 30 DCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184425857 771787357 /nfs/dbraw/zinc/78/73/57/771787357.db2.gz ZONUEXRUHZPKQM-GYMHETDLSA-N 2 1 305.422 0.616 20 30 DCEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001158872708 771830121 /nfs/dbraw/zinc/83/01/21/771830121.db2.gz XFINOJAIMYLQGC-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001158872708 771830126 /nfs/dbraw/zinc/83/01/26/771830126.db2.gz XFINOJAIMYLQGC-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccn1 ZINC001160197857 772006730 /nfs/dbraw/zinc/00/67/30/772006730.db2.gz KPNSHMVKSOWDOO-INIZCTEOSA-N 2 1 300.406 0.775 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccn1 ZINC001160197857 772006736 /nfs/dbraw/zinc/00/67/36/772006736.db2.gz KPNSHMVKSOWDOO-INIZCTEOSA-N 2 1 300.406 0.775 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1ccns1 ZINC001160209166 772009307 /nfs/dbraw/zinc/00/93/07/772009307.db2.gz BBGYHELXBLTEQF-HNNXBMFYSA-N 2 1 320.462 0.879 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1ccns1 ZINC001160209166 772009313 /nfs/dbraw/zinc/00/93/13/772009313.db2.gz BBGYHELXBLTEQF-HNNXBMFYSA-N 2 1 320.462 0.879 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001160209758 772010183 /nfs/dbraw/zinc/01/01/83/772010183.db2.gz VPXSGGBUKVOWMF-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001160209758 772010188 /nfs/dbraw/zinc/01/01/88/772010188.db2.gz VPXSGGBUKVOWMF-HOTGVXAUSA-N 2 1 307.438 0.607 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001190221640 772602718 /nfs/dbraw/zinc/60/27/18/772602718.db2.gz IOIBBSGXBFPMGO-OAHLLOKOSA-N 2 1 317.437 0.614 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646122 772657720 /nfs/dbraw/zinc/65/77/20/772657720.db2.gz XKGGTKSDCRILOK-OAHLLOKOSA-N 2 1 307.438 0.653 20 30 DCEDMP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360067 772758089 /nfs/dbraw/zinc/75/80/89/772758089.db2.gz KNQDWJSNYIHXME-HNNXBMFYSA-N 2 1 304.394 0.374 20 30 DCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360067 772758090 /nfs/dbraw/zinc/75/80/90/772758090.db2.gz KNQDWJSNYIHXME-HNNXBMFYSA-N 2 1 304.394 0.374 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192342530 772907605 /nfs/dbraw/zinc/90/76/05/772907605.db2.gz GBEDYXALYQRYOW-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001192342530 772907607 /nfs/dbraw/zinc/90/76/07/772907607.db2.gz GBEDYXALYQRYOW-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342530 772907609 /nfs/dbraw/zinc/90/76/09/772907609.db2.gz GBEDYXALYQRYOW-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342530 772907611 /nfs/dbraw/zinc/90/76/11/772907611.db2.gz GBEDYXALYQRYOW-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCOCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001203709241 772920644 /nfs/dbraw/zinc/92/06/44/772920644.db2.gz PGZVDSPSIAFYAD-UHFFFAOYSA-N 2 1 306.410 0.975 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203925893 772929904 /nfs/dbraw/zinc/92/99/04/772929904.db2.gz YGALAUMEBAAWNV-UHFFFAOYSA-N 2 1 310.442 0.209 20 30 DCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866691 772966662 /nfs/dbraw/zinc/96/66/62/772966662.db2.gz MRNQRUUZODPJIB-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866691 772966664 /nfs/dbraw/zinc/96/66/64/772966664.db2.gz MRNQRUUZODPJIB-INIZCTEOSA-N 2 1 307.438 0.655 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC#CC)CC1 ZINC001205479739 772994863 /nfs/dbraw/zinc/99/48/63/772994863.db2.gz VSOSQJYVOGPXHC-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC#CC)CC1 ZINC001205479739 772994865 /nfs/dbraw/zinc/99/48/65/772994865.db2.gz VSOSQJYVOGPXHC-KRWDZBQOSA-N 2 1 301.434 0.936 20 30 DCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765568 773113150 /nfs/dbraw/zinc/11/31/50/773113150.db2.gz BZXFTZDIXIJVRZ-RRFJBIMHSA-N 2 1 309.454 0.987 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193902427 773127033 /nfs/dbraw/zinc/12/70/33/773127033.db2.gz RPKKJIIVYMUBGM-ARFHVFGLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193902427 773127034 /nfs/dbraw/zinc/12/70/34/773127034.db2.gz RPKKJIIVYMUBGM-ARFHVFGLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193902427 773127036 /nfs/dbraw/zinc/12/70/36/773127036.db2.gz RPKKJIIVYMUBGM-ARFHVFGLSA-N 2 1 309.454 0.988 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041317 773143922 /nfs/dbraw/zinc/14/39/22/773143922.db2.gz XDHVCFBXEDLOKB-LSDHHAIUSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208337500 773437138 /nfs/dbraw/zinc/43/71/38/773437138.db2.gz LAGYIKGYAVPSFT-AWEZNQCLSA-N 2 1 322.453 0.354 20 30 DCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001208453124 773465121 /nfs/dbraw/zinc/46/51/21/773465121.db2.gz BAMHGQYWMQIVAJ-OAHLLOKOSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208591444 773504313 /nfs/dbraw/zinc/50/43/13/773504313.db2.gz WUKAQLDPQLRYBL-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208591444 773504317 /nfs/dbraw/zinc/50/43/17/773504317.db2.gz WUKAQLDPQLRYBL-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001208591444 773504320 /nfs/dbraw/zinc/50/43/20/773504320.db2.gz WUKAQLDPQLRYBL-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001208591444 773504322 /nfs/dbraw/zinc/50/43/22/773504322.db2.gz WUKAQLDPQLRYBL-BZUAXINKSA-N 2 1 307.438 0.415 20 30 DCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001196498204 773610881 /nfs/dbraw/zinc/61/08/81/773610881.db2.gz CZLYAUWYMRSEFV-RRFJBIMHSA-N 2 1 322.409 0.198 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197018747 773685444 /nfs/dbraw/zinc/68/54/44/773685444.db2.gz WXEHBSVINNKHNK-BZUAXINKSA-N 2 1 309.454 0.537 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197018747 773685448 /nfs/dbraw/zinc/68/54/48/773685448.db2.gz WXEHBSVINNKHNK-BZUAXINKSA-N 2 1 309.454 0.537 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cc(C)on2)CC1 ZINC001152330216 773730688 /nfs/dbraw/zinc/73/06/88/773730688.db2.gz IYQVZMIQWRFZPT-UHFFFAOYSA-N 2 1 304.394 0.534 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046113 773763223 /nfs/dbraw/zinc/76/32/23/773763223.db2.gz JHRQLGDAGDDSMR-OWCLPIDISA-N 2 1 307.438 0.415 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCC)C[C@H]2O)CC1 ZINC001199030618 774018684 /nfs/dbraw/zinc/01/86/84/774018684.db2.gz VKMDAPJILGYQCY-IAGOWNOFSA-N 2 1 321.465 0.683 20 30 DCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214968954 774029183 /nfs/dbraw/zinc/02/91/83/774029183.db2.gz FRMFTOAERJMRNA-BZUAXINKSA-N 2 1 307.438 0.557 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183107 774292314 /nfs/dbraw/zinc/29/23/14/774292314.db2.gz VVTADLPWFBUSPX-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183107 774292319 /nfs/dbraw/zinc/29/23/19/774292319.db2.gz VVTADLPWFBUSPX-LSDHHAIUSA-N 2 1 311.426 0.100 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479218 774360183 /nfs/dbraw/zinc/36/01/83/774360183.db2.gz OOHHRFJNTSYSCY-HZPDHXFCSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721138 774398248 /nfs/dbraw/zinc/39/82/48/774398248.db2.gz HVTGQUOIZNOTGT-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCO1 ZINC001200866799 774421756 /nfs/dbraw/zinc/42/17/56/774421756.db2.gz XVIKMDMXSFEBSZ-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC[C@@H](C)O)CC1 ZINC001201094737 774446222 /nfs/dbraw/zinc/44/62/22/774446222.db2.gz VKGHWDFHHXSUML-WBVHZDCISA-N 2 1 321.465 0.826 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC[C@@H](C)O)CC1 ZINC001201094737 774446224 /nfs/dbraw/zinc/44/62/24/774446224.db2.gz VKGHWDFHHXSUML-WBVHZDCISA-N 2 1 321.465 0.826 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201862444 774559781 /nfs/dbraw/zinc/55/97/81/774559781.db2.gz AVUNLLVTKYDCCU-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201862442 774559794 /nfs/dbraw/zinc/55/97/94/774559794.db2.gz AVUNLLVTKYDCCU-HOTGVXAUSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110663904 774702043 /nfs/dbraw/zinc/70/20/43/774702043.db2.gz FNMXSICFZJBTJX-OAGGEKHMSA-N 2 1 319.449 0.842 20 30 DCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110663904 774702047 /nfs/dbraw/zinc/70/20/47/774702047.db2.gz FNMXSICFZJBTJX-OAGGEKHMSA-N 2 1 319.449 0.842 20 30 DCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220868229 774940335 /nfs/dbraw/zinc/94/03/35/774940335.db2.gz FFGRVIHYPAZFME-IXDOHACOSA-N 2 1 320.481 0.827 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561119 775149131 /nfs/dbraw/zinc/14/91/31/775149131.db2.gz YZTXDKVEUOKORH-QBPKDAKJSA-N 2 1 319.449 0.509 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561119 775149139 /nfs/dbraw/zinc/14/91/39/775149139.db2.gz YZTXDKVEUOKORH-QBPKDAKJSA-N 2 1 319.449 0.509 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561119 775149147 /nfs/dbraw/zinc/14/91/47/775149147.db2.gz YZTXDKVEUOKORH-QBPKDAKJSA-N 2 1 319.449 0.509 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561119 775149152 /nfs/dbraw/zinc/14/91/52/775149152.db2.gz YZTXDKVEUOKORH-QBPKDAKJSA-N 2 1 319.449 0.509 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772784 775192422 /nfs/dbraw/zinc/19/24/22/775192422.db2.gz MOKZCJZZAZDTSM-HZPDHXFCSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772784 775192424 /nfs/dbraw/zinc/19/24/24/775192424.db2.gz MOKZCJZZAZDTSM-HZPDHXFCSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945380 775234198 /nfs/dbraw/zinc/23/41/98/775234198.db2.gz LVWAPXDGDCISNF-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945380 775234203 /nfs/dbraw/zinc/23/42/03/775234203.db2.gz LVWAPXDGDCISNF-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945380 775234207 /nfs/dbraw/zinc/23/42/07/775234207.db2.gz LVWAPXDGDCISNF-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945380 775234209 /nfs/dbraw/zinc/23/42/09/775234209.db2.gz LVWAPXDGDCISNF-GVDBMIGSSA-N 2 1 319.449 0.511 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227987198 776034114 /nfs/dbraw/zinc/03/41/14/776034114.db2.gz VFKVGNCPPUHXID-UKRRQHHQSA-N 2 1 322.453 0.045 20 30 DCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC001229517374 776197559 /nfs/dbraw/zinc/19/75/59/776197559.db2.gz YRPPISRJEGZPMD-HZPDHXFCSA-N 2 1 309.454 0.995 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114831771 776198354 /nfs/dbraw/zinc/19/83/54/776198354.db2.gz FIOWSCYJENINFG-LJIGWXMPSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001114831771 776198359 /nfs/dbraw/zinc/19/83/59/776198359.db2.gz FIOWSCYJENINFG-LJIGWXMPSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001114831771 776198360 /nfs/dbraw/zinc/19/83/60/776198360.db2.gz FIOWSCYJENINFG-LJIGWXMPSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114841492 776221684 /nfs/dbraw/zinc/22/16/84/776221684.db2.gz XHVQJBJUKYJMLR-QLPKVWCKSA-N 2 1 321.465 0.661 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001114841492 776221690 /nfs/dbraw/zinc/22/16/90/776221690.db2.gz XHVQJBJUKYJMLR-QLPKVWCKSA-N 2 1 321.465 0.661 20 30 DCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114841492 776221695 /nfs/dbraw/zinc/22/16/95/776221695.db2.gz XHVQJBJUKYJMLR-QLPKVWCKSA-N 2 1 321.465 0.661 20 30 DCEDMP COCC#CC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230034656 776245587 /nfs/dbraw/zinc/24/55/87/776245587.db2.gz LCCOSWSMWXZJKT-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001114852997 776253078 /nfs/dbraw/zinc/25/30/78/776253078.db2.gz WMIFPMUDIWMDDZ-LJIGWXMPSA-N 2 1 305.422 0.167 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317949615 945224331 /nfs/dbraw/zinc/22/43/31/945224331.db2.gz HSVGOYQZHZCPGP-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317949615 945224336 /nfs/dbraw/zinc/22/43/36/945224336.db2.gz HSVGOYQZHZCPGP-MRXNPFEDSA-N 2 1 309.454 0.949 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266326709 939075646 /nfs/dbraw/zinc/07/56/46/939075646.db2.gz IKWSZPDGITXTHR-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266326709 939075651 /nfs/dbraw/zinc/07/56/51/939075651.db2.gz IKWSZPDGITXTHR-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266326709 939075656 /nfs/dbraw/zinc/07/56/56/939075656.db2.gz IKWSZPDGITXTHR-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266326709 939075662 /nfs/dbraw/zinc/07/56/62/939075662.db2.gz IKWSZPDGITXTHR-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001266743589 939225955 /nfs/dbraw/zinc/22/59/55/939225955.db2.gz JRUMLKKPEUNULH-CABCVRRESA-N 2 1 322.453 0.306 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266883989 939265002 /nfs/dbraw/zinc/26/50/02/939265002.db2.gz JGJUGPQBTDVSRT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266883989 939265005 /nfs/dbraw/zinc/26/50/05/939265005.db2.gz JGJUGPQBTDVSRT-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267046633 939322781 /nfs/dbraw/zinc/32/27/81/939322781.db2.gz BXEOTYNMYXTLEM-CYBMUJFWSA-N 2 1 304.394 0.811 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267071867 939331326 /nfs/dbraw/zinc/33/13/26/939331326.db2.gz YAROONVYSPQNBL-AWEZNQCLSA-N 2 1 310.442 0.067 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267115254 939349378 /nfs/dbraw/zinc/34/93/78/939349378.db2.gz RMYFLFYYYXEZGU-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267115254 939349382 /nfs/dbraw/zinc/34/93/82/939349382.db2.gz RMYFLFYYYXEZGU-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267115254 939349385 /nfs/dbraw/zinc/34/93/85/939349385.db2.gz RMYFLFYYYXEZGU-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267115254 939349390 /nfs/dbraw/zinc/34/93/90/939349390.db2.gz RMYFLFYYYXEZGU-HZPDHXFCSA-N 2 1 307.438 0.653 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCOCC ZINC001267269473 939410554 /nfs/dbraw/zinc/41/05/54/939410554.db2.gz OBZGPEOEXRSCKZ-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001481069879 939547848 /nfs/dbraw/zinc/54/78/48/939547848.db2.gz CGENZOIDJPEXQZ-HZPDHXFCSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267771177 939673593 /nfs/dbraw/zinc/67/35/93/939673593.db2.gz AFKFLKFDVLQIGG-HZPDHXFCSA-N 2 1 309.454 0.755 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267771177 939673594 /nfs/dbraw/zinc/67/35/94/939673594.db2.gz AFKFLKFDVLQIGG-HZPDHXFCSA-N 2 1 309.454 0.755 20 30 DCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481506790 939906479 /nfs/dbraw/zinc/90/64/79/939906479.db2.gz KWAPCLYTSHTVDW-CVEARBPZSA-N 2 1 307.438 0.368 20 30 DCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC#CCOC ZINC001268260707 940008725 /nfs/dbraw/zinc/00/87/25/940008725.db2.gz YECNNKRZTNJVOF-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC#CCOC ZINC001268260707 940008729 /nfs/dbraw/zinc/00/87/29/940008729.db2.gz YECNNKRZTNJVOF-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC#CCOC ZINC001268260707 940008733 /nfs/dbraw/zinc/00/87/33/940008733.db2.gz YECNNKRZTNJVOF-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC#CCOC ZINC001268260707 940008735 /nfs/dbraw/zinc/00/87/35/940008735.db2.gz YECNNKRZTNJVOF-MRXNPFEDSA-N 2 1 309.454 0.901 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCOCC)CC1 ZINC001268259652 940009104 /nfs/dbraw/zinc/00/91/04/940009104.db2.gz OAAQCZAAGRANGP-UHFFFAOYSA-N 2 1 309.454 0.758 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001481692303 940044351 /nfs/dbraw/zinc/04/43/51/940044351.db2.gz IAHNXNCONSSYEG-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001481692303 940044355 /nfs/dbraw/zinc/04/43/55/940044355.db2.gz IAHNXNCONSSYEG-KGLIPLIRSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273144225 945324307 /nfs/dbraw/zinc/32/43/07/945324307.db2.gz OLLZGZUOGWDCDR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCN1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144225 945324316 /nfs/dbraw/zinc/32/43/16/945324316.db2.gz OLLZGZUOGWDCDR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCN1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144225 945324328 /nfs/dbraw/zinc/32/43/28/945324328.db2.gz OLLZGZUOGWDCDR-NVXWUHKLSA-N 2 1 307.438 0.818 20 30 DCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001284519526 940715900 /nfs/dbraw/zinc/71/59/00/940715900.db2.gz KCDCMVCHHDWHBD-MRXNPFEDSA-N 2 1 309.454 0.637 20 30 DCEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001270625023 940945087 /nfs/dbraw/zinc/94/50/87/940945087.db2.gz UUAFBQNSFABUAI-KRWDZBQOSA-N 2 1 307.438 0.559 20 30 DCEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001272520751 942799859 /nfs/dbraw/zinc/79/98/59/942799859.db2.gz KFSPUMUZAUBYNX-GDBMZVCRSA-N 2 1 320.437 0.787 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484242115 943246738 /nfs/dbraw/zinc/24/67/38/943246738.db2.gz TXHUWNHGHBHICN-QGZVFWFLSA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001484983307 943643913 /nfs/dbraw/zinc/64/39/13/943643913.db2.gz VRXGRWQUFVZOOR-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001484988058 943645125 /nfs/dbraw/zinc/64/51/25/943645125.db2.gz OIEWMGRCVLAAGV-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001484988058 943645126 /nfs/dbraw/zinc/64/51/26/943645126.db2.gz OIEWMGRCVLAAGV-HZPDHXFCSA-N 2 1 309.454 0.946 20 30 DCEDMP C=CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001485066183 943674954 /nfs/dbraw/zinc/67/49/54/943674954.db2.gz UOSJZSNHBCEATP-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001485066183 943674956 /nfs/dbraw/zinc/67/49/56/943674956.db2.gz UOSJZSNHBCEATP-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001485066183 943674958 /nfs/dbraw/zinc/67/49/58/943674958.db2.gz UOSJZSNHBCEATP-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001485066183 943674962 /nfs/dbraw/zinc/67/49/62/943674962.db2.gz UOSJZSNHBCEATP-HUUCEWRRSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCN1CC[C@H]([N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001485346812 943862257 /nfs/dbraw/zinc/86/22/57/943862257.db2.gz XWNXTWFSZYAWEZ-KGLIPLIRSA-N 2 1 310.442 0.162 20 30 DCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001272772026 944220030 /nfs/dbraw/zinc/22/00/30/944220030.db2.gz CHGPOWVLDWNCJO-JKSUJKDBSA-N 2 1 309.454 0.993 20 30 DCEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC#Cc2ccccc2)C1 ZINC001486060876 944521808 /nfs/dbraw/zinc/52/18/08/944521808.db2.gz CLHPKRJOWIHVGT-SJORKVTESA-N 2 1 315.417 0.057 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001281459098 944814285 /nfs/dbraw/zinc/81/42/85/944814285.db2.gz SYZGEWNGVHSJOH-UONOGXRCSA-N 2 1 310.442 0.067 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001277423022 944815307 /nfs/dbraw/zinc/81/53/07/944815307.db2.gz LDYCBQWXSPYAOE-CQSZACIVSA-N 2 1 324.469 0.552 20 30 DCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317178318 944838921 /nfs/dbraw/zinc/83/89/21/944838921.db2.gz LGVSPAINVQBXSA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317178318 944838925 /nfs/dbraw/zinc/83/89/25/944838925.db2.gz LGVSPAINVQBXSA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317178318 944838934 /nfs/dbraw/zinc/83/89/34/944838934.db2.gz LGVSPAINVQBXSA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317178318 944838939 /nfs/dbraw/zinc/83/89/39/944838939.db2.gz LGVSPAINVQBXSA-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)noc1C ZINC001317255534 944881438 /nfs/dbraw/zinc/88/14/38/944881438.db2.gz KEUXODJBXMBMCV-LRDDRELGSA-N 2 1 318.421 0.983 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)noc1C ZINC001317255534 944881448 /nfs/dbraw/zinc/88/14/48/944881448.db2.gz KEUXODJBXMBMCV-LRDDRELGSA-N 2 1 318.421 0.983 20 30 DCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001246302808 945381600 /nfs/dbraw/zinc/38/16/00/945381600.db2.gz FTLNJQIVAPGHKT-ILXRZTDVSA-N 2 1 323.437 0.956 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001318704455 945429020 /nfs/dbraw/zinc/42/90/20/945429020.db2.gz AVTURIFROGUBPG-KRWDZBQOSA-N 2 1 318.421 0.716 20 30 DCEDMP COCC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001319020415 945482666 /nfs/dbraw/zinc/48/26/66/945482666.db2.gz ZXPAEVIDHPAUQK-KRWDZBQOSA-N 2 1 321.465 0.949 20 30 DCEDMP CC1(C#N)CCC([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246927279 945519508 /nfs/dbraw/zinc/51/95/08/945519508.db2.gz YCWCUZLDGIUJRV-UHFFFAOYSA-N 3 1 309.458 0.575 20 30 DCEDMP CC1(C#N)CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246927279 945519514 /nfs/dbraw/zinc/51/95/14/945519514.db2.gz YCWCUZLDGIUJRV-UHFFFAOYSA-N 2 1 309.458 0.575 20 30 DCEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247003092 945539601 /nfs/dbraw/zinc/53/96/01/945539601.db2.gz NGPGMIMLRNYPRT-ZIAGYGMSSA-N 2 1 308.426 0.457 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C ZINC001278768285 946331892 /nfs/dbraw/zinc/33/18/92/946331892.db2.gz SUMLZBXIDATOOE-HOTGVXAUSA-N 2 1 323.481 0.929 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C ZINC001278768285 946331904 /nfs/dbraw/zinc/33/19/04/946331904.db2.gz SUMLZBXIDATOOE-HOTGVXAUSA-N 2 1 323.481 0.929 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cncs1 ZINC001321875088 946495642 /nfs/dbraw/zinc/49/56/42/946495642.db2.gz DUECKHHPVSNBJL-JSGCOSHPSA-N 2 1 306.435 0.835 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cncs1 ZINC001321875088 946495647 /nfs/dbraw/zinc/49/56/47/946495647.db2.gz DUECKHHPVSNBJL-JSGCOSHPSA-N 2 1 306.435 0.835 20 30 DCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001278946081 946642183 /nfs/dbraw/zinc/64/21/83/946642183.db2.gz UISOIYDPVMJWOG-CABCVRRESA-N 2 1 309.454 0.851 20 30 DCEDMP C=CCC[NH+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001258297498 946818998 /nfs/dbraw/zinc/81/89/98/946818998.db2.gz QQRQEOMYZIRQHM-UHFFFAOYSA-N 2 1 305.426 0.779 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001322831655 946825690 /nfs/dbraw/zinc/82/56/90/946825690.db2.gz MKJAPQHGCFVWAE-CABCVRRESA-N 2 1 322.453 0.163 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCO1 ZINC001273365698 946865990 /nfs/dbraw/zinc/86/59/90/946865990.db2.gz MDANXHHBZNEGTE-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCCC[NH+]1CC2(C1)COCC(=O)N2CCn1ccnc1 ZINC001273542182 947949128 /nfs/dbraw/zinc/94/91/28/947949128.db2.gz QEEZBSIQADUHPL-UHFFFAOYSA-N 2 1 302.378 0.210 20 30 DCEDMP COCC#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001326912839 948328498 /nfs/dbraw/zinc/32/84/98/948328498.db2.gz ABRVANNLORJGKO-HNNXBMFYSA-N 2 1 307.438 0.607 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001263857019 948784563 /nfs/dbraw/zinc/78/45/63/948784563.db2.gz JDJMPWLAPSQVQA-AJNGGQMLSA-N 2 1 322.453 0.256 20 30 DCEDMP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264078842 948862860 /nfs/dbraw/zinc/86/28/60/948862860.db2.gz SDHCAFRADPTOPU-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001264078842 948862872 /nfs/dbraw/zinc/86/28/72/948862872.db2.gz SDHCAFRADPTOPU-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001264078842 948862895 /nfs/dbraw/zinc/86/28/95/948862895.db2.gz SDHCAFRADPTOPU-HOTGVXAUSA-N 2 1 307.438 0.247 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001264391239 948954674 /nfs/dbraw/zinc/95/46/74/948954674.db2.gz QBYLCQYUNJRJKI-BBWFWOEESA-N 2 1 321.465 0.993 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001264631829 949037860 /nfs/dbraw/zinc/03/78/60/949037860.db2.gz CBYPWPGXDZOOJD-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001264631829 949037879 /nfs/dbraw/zinc/03/78/79/949037879.db2.gz CBYPWPGXDZOOJD-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001264631829 949037897 /nfs/dbraw/zinc/03/78/97/949037897.db2.gz CBYPWPGXDZOOJD-IAGOWNOFSA-N 2 1 321.465 0.779 20 30 DCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264633077 949037981 /nfs/dbraw/zinc/03/79/81/949037981.db2.gz VARQYXACFVTPKK-HOTGVXAUSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264633077 949038001 /nfs/dbraw/zinc/03/80/01/949038001.db2.gz VARQYXACFVTPKK-HOTGVXAUSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264633077 949038024 /nfs/dbraw/zinc/03/80/24/949038024.db2.gz VARQYXACFVTPKK-HOTGVXAUSA-N 2 1 309.454 0.942 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001488804666 949198320 /nfs/dbraw/zinc/19/83/20/949198320.db2.gz MLQPYAHHGYRDMS-WNKDZCFJSA-N 2 1 321.465 0.993 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1OCC ZINC001489023287 949440493 /nfs/dbraw/zinc/44/04/93/949440493.db2.gz ZPFXKMFCTONTNO-HZPDHXFCSA-N 2 1 318.421 0.668 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cncn2C)C1 ZINC001489173208 949531284 /nfs/dbraw/zinc/53/12/84/949531284.db2.gz JJMIQNJULSKQCE-CQSZACIVSA-N 2 1 306.410 0.434 20 30 DCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001265367831 949633583 /nfs/dbraw/zinc/63/35/83/949633583.db2.gz FJIYXZQRSFLQIV-HOCLYGCPSA-N 2 1 300.406 0.872 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001265930574 950159155 /nfs/dbraw/zinc/15/91/55/950159155.db2.gz DNCKPTKRVKTWDJ-HNNXBMFYSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CCF)CC1 ZINC001279431679 950569029 /nfs/dbraw/zinc/56/90/29/950569029.db2.gz QRXKCZMKNBOCOT-INIZCTEOSA-N 2 1 324.444 0.224 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CCF)CC1 ZINC001279431679 950569044 /nfs/dbraw/zinc/56/90/44/950569044.db2.gz QRXKCZMKNBOCOT-INIZCTEOSA-N 2 1 324.444 0.224 20 30 DCEDMP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001280152951 950778533 /nfs/dbraw/zinc/77/85/33/950778533.db2.gz OTUBYXUUEASMSA-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001490549147 950806778 /nfs/dbraw/zinc/80/67/78/950806778.db2.gz ZHAZHIJLVXURRJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001490549147 950806800 /nfs/dbraw/zinc/80/68/00/950806800.db2.gz ZHAZHIJLVXURRJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001490549147 950806820 /nfs/dbraw/zinc/80/68/20/950806820.db2.gz ZHAZHIJLVXURRJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001490549147 950806841 /nfs/dbraw/zinc/80/68/41/950806841.db2.gz ZHAZHIJLVXURRJ-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[NH2+]CC1(NC(=O)CC[N@H+](C)CCC)CCOCC1 ZINC001274014257 951327284 /nfs/dbraw/zinc/32/72/84/951327284.db2.gz MXGHYRFZMABFRP-UHFFFAOYSA-N 2 1 309.454 0.997 20 30 DCEDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCCCC#N)C2 ZINC001274043238 951357608 /nfs/dbraw/zinc/35/76/08/951357608.db2.gz NZJCWJGAVBJCAL-QGZVFWFLSA-N 2 1 322.453 0.793 20 30 DCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001274075655 951402877 /nfs/dbraw/zinc/40/28/77/951402877.db2.gz FPVTYGSLEFDIMY-DWTRPJMMSA-N 2 1 307.438 0.773 20 30 DCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274619744 951743760 /nfs/dbraw/zinc/74/37/60/951743760.db2.gz CJVNOPFRPYSRFP-RDJZCZTQSA-N 2 1 309.454 0.942 20 30 DCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001280581561 951807639 /nfs/dbraw/zinc/80/76/39/951807639.db2.gz CLBVGZOIOSORRA-CVEARBPZSA-N 2 1 307.438 0.700 20 30 DCEDMP C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001276013779 952623298 /nfs/dbraw/zinc/62/32/98/952623298.db2.gz ZPXBLQSQIWSQIA-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCN1CC[C@@H]([NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001276013779 952623296 /nfs/dbraw/zinc/62/32/96/952623296.db2.gz ZPXBLQSQIWSQIA-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001276013779 952623300 /nfs/dbraw/zinc/62/33/00/952623300.db2.gz ZPXBLQSQIWSQIA-LSDHHAIUSA-N 2 1 324.469 0.550 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001336894219 952781304 /nfs/dbraw/zinc/78/13/04/952781304.db2.gz MNJXLHFQKPOAND-RYUDHWBXSA-N 2 1 320.359 0.863 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001490828999 953056475 /nfs/dbraw/zinc/05/64/75/953056475.db2.gz LQSSEZBHQGFSLJ-PMPSAXMXSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001490828999 953056481 /nfs/dbraw/zinc/05/64/81/953056481.db2.gz LQSSEZBHQGFSLJ-PMPSAXMXSA-N 2 1 307.438 0.436 20 30 DCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001282885311 953719621 /nfs/dbraw/zinc/71/96/21/953719621.db2.gz KGXZBDIXRAOXEZ-VQHPVUNQSA-N 2 1 321.465 0.825 20 30 DCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001283032748 953939133 /nfs/dbraw/zinc/93/91/33/953939133.db2.gz QSBNIAIZHHVHPC-TUVASFSCSA-N 2 1 322.453 0.256 20 30 DCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CCOC ZINC001284655721 955216167 /nfs/dbraw/zinc/21/61/67/955216167.db2.gz LPROELLZNHYHBJ-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CCOC ZINC001284655721 955216172 /nfs/dbraw/zinc/21/61/72/955216172.db2.gz LPROELLZNHYHBJ-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CCOC ZINC001284655721 955216178 /nfs/dbraw/zinc/21/61/78/955216178.db2.gz LPROELLZNHYHBJ-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CCOC ZINC001284655721 955216186 /nfs/dbraw/zinc/21/61/86/955216186.db2.gz LPROELLZNHYHBJ-JKSUJKDBSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[N@H+]1CC=C(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001284967471 955368442 /nfs/dbraw/zinc/36/84/42/955368442.db2.gz OTVSZFIGMLWHCV-UHFFFAOYSA-N 2 1 305.422 0.480 20 30 DCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001284967471 955368457 /nfs/dbraw/zinc/36/84/57/955368457.db2.gz OTVSZFIGMLWHCV-UHFFFAOYSA-N 2 1 305.422 0.480 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001480304061 955666763 /nfs/dbraw/zinc/66/67/63/955666763.db2.gz IPSIUVISAAYHBR-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001480304061 955666771 /nfs/dbraw/zinc/66/67/71/955666771.db2.gz IPSIUVISAAYHBR-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001285694339 955915081 /nfs/dbraw/zinc/91/50/81/955915081.db2.gz HXXPSFNVWGREIB-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001285694339 955915091 /nfs/dbraw/zinc/91/50/91/955915091.db2.gz HXXPSFNVWGREIB-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001285694339 955915105 /nfs/dbraw/zinc/91/51/05/955915105.db2.gz HXXPSFNVWGREIB-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)CC ZINC001285694339 955915113 /nfs/dbraw/zinc/91/51/13/955915113.db2.gz HXXPSFNVWGREIB-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)CC ZINC001285694339 955915119 /nfs/dbraw/zinc/91/51/19/955915119.db2.gz HXXPSFNVWGREIB-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001491752044 959183478 /nfs/dbraw/zinc/18/34/78/959183478.db2.gz DJTOGHBXUVTDPH-AWEZNQCLSA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001491773423 959209213 /nfs/dbraw/zinc/20/92/13/959209213.db2.gz GOZCVOHVMFOYND-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001491773423 959209228 /nfs/dbraw/zinc/20/92/28/959209228.db2.gz GOZCVOHVMFOYND-GJZGRUSLSA-N 2 1 311.426 0.100 20 30 DCEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001316766398 960320529 /nfs/dbraw/zinc/32/05/29/960320529.db2.gz XIPGMZTUFQHLST-UHFFFAOYSA-N 2 1 307.438 0.512 20 30 DCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cnc(C#N)c(C#N)n1 ZINC001364226114 962709858 /nfs/dbraw/zinc/70/98/58/962709858.db2.gz DPXGFQDPVMGXTC-LBPRGKRZSA-N 2 1 301.398 0.904 20 30 DCEDMP C[N@H+]1CCC[C@H](N2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359259 962955898 /nfs/dbraw/zinc/95/58/98/962955898.db2.gz SAWZNEVDDOHNRV-HOTGVXAUSA-N 2 1 306.454 0.753 20 30 DCEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359259 962955909 /nfs/dbraw/zinc/95/59/09/962955909.db2.gz SAWZNEVDDOHNRV-HOTGVXAUSA-N 2 1 306.454 0.753 20 30 DCEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)C1 ZINC001364359259 962955921 /nfs/dbraw/zinc/95/59/21/962955921.db2.gz SAWZNEVDDOHNRV-HOTGVXAUSA-N 2 1 306.454 0.753 20 30 DCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001502567592 1015974805 /nfs/dbraw/zinc/97/48/05/1015974805.db2.gz HPHPZCKJPGTANH-DOTOQJQBSA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001503003909 1016144301 /nfs/dbraw/zinc/14/43/01/1016144301.db2.gz UFBXVABOARCHOU-GJZGRUSLSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001507231216 1016154651 /nfs/dbraw/zinc/15/46/51/1016154651.db2.gz YDXPGUUGHLXTCG-WBVHZDCISA-N 2 1 321.465 0.874 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505435619 1016241437 /nfs/dbraw/zinc/24/14/37/1016241437.db2.gz LDDPAHDFIAYPPO-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001507380560 1016292556 /nfs/dbraw/zinc/29/25/56/1016292556.db2.gz FZRYDGGVMKPRDM-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001507380560 1016292561 /nfs/dbraw/zinc/29/25/61/1016292561.db2.gz FZRYDGGVMKPRDM-HOTGVXAUSA-N 2 1 309.454 0.947 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001401153681 1000233341 /nfs/dbraw/zinc/23/33/41/1000233341.db2.gz VTARKWNYPVWNRL-AAEUAGOBSA-N 2 1 303.834 0.802 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001401153681 1000233346 /nfs/dbraw/zinc/23/33/46/1000233346.db2.gz VTARKWNYPVWNRL-AAEUAGOBSA-N 2 1 303.834 0.802 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001402610375 1001440851 /nfs/dbraw/zinc/44/08/51/1001440851.db2.gz HZEXHOBZVUEDLU-ZDUSSCGKSA-N 2 1 303.834 0.896 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=C)C ZINC001507649381 1016508725 /nfs/dbraw/zinc/50/87/25/1016508725.db2.gz OPMZYFAADHCWLM-CVEARBPZSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=C)C ZINC001507649381 1016508737 /nfs/dbraw/zinc/50/87/37/1016508737.db2.gz OPMZYFAADHCWLM-CVEARBPZSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CC(=C)C ZINC001507649381 1016508748 /nfs/dbraw/zinc/50/87/48/1016508748.db2.gz OPMZYFAADHCWLM-CVEARBPZSA-N 2 1 307.438 0.411 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CC(=C)C ZINC001507649381 1016508762 /nfs/dbraw/zinc/50/87/62/1016508762.db2.gz OPMZYFAADHCWLM-CVEARBPZSA-N 2 1 307.438 0.411 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001403897552 1002704040 /nfs/dbraw/zinc/70/40/40/1002704040.db2.gz DXSSVOKJISGOEU-KBPBESRZSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001403897552 1002704050 /nfs/dbraw/zinc/70/40/50/1002704050.db2.gz DXSSVOKJISGOEU-KBPBESRZSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403897552 1002704055 /nfs/dbraw/zinc/70/40/55/1002704055.db2.gz DXSSVOKJISGOEU-KBPBESRZSA-N 2 1 317.861 0.832 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403897552 1002704063 /nfs/dbraw/zinc/70/40/63/1002704063.db2.gz DXSSVOKJISGOEU-KBPBESRZSA-N 2 1 317.861 0.832 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCCCN1CCOCC1 ZINC001506021845 1016896892 /nfs/dbraw/zinc/89/68/92/1016896892.db2.gz QFYHPVDDXXDYLZ-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001506021845 1016896934 /nfs/dbraw/zinc/89/69/34/1016896934.db2.gz QFYHPVDDXXDYLZ-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001442156860 1009033458 /nfs/dbraw/zinc/03/34/58/1009033458.db2.gz LRQWFXACUVGPOZ-AWEZNQCLSA-N 2 1 315.845 0.899 20 30 DCEDMP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001423541163 1011235046 /nfs/dbraw/zinc/23/50/46/1011235046.db2.gz CRQOWOZKSKQXAQ-CHWSQXEVSA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001423541163 1011235056 /nfs/dbraw/zinc/23/50/56/1011235056.db2.gz CRQOWOZKSKQXAQ-CHWSQXEVSA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423541163 1011235067 /nfs/dbraw/zinc/23/50/67/1011235067.db2.gz CRQOWOZKSKQXAQ-CHWSQXEVSA-N 2 1 303.834 0.442 20 30 DCEDMP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423541163 1011235079 /nfs/dbraw/zinc/23/50/79/1011235079.db2.gz CRQOWOZKSKQXAQ-CHWSQXEVSA-N 2 1 303.834 0.442 20 30 DCEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001445144604 1011455252 /nfs/dbraw/zinc/45/52/52/1011455252.db2.gz AWJNSSYIIFTWII-HOTGVXAUSA-N 2 1 316.405 0.219 20 30 DCEDMP COCC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001479894841 1017941729 /nfs/dbraw/zinc/94/17/29/1017941729.db2.gz GVBSLLRUYYWCPK-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnns1 ZINC001497207702 1017971953 /nfs/dbraw/zinc/97/19/53/1017971953.db2.gz KCMIZDGCRJKFQG-OCCSQVGLSA-N 2 1 321.450 0.620 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnns1 ZINC001497207702 1017971966 /nfs/dbraw/zinc/97/19/66/1017971966.db2.gz KCMIZDGCRJKFQG-OCCSQVGLSA-N 2 1 321.450 0.620 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494723307 1017979527 /nfs/dbraw/zinc/97/95/27/1017979527.db2.gz WVXCAIHIBIYJSD-SOUVJXGZSA-N 2 1 324.469 0.454 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494723307 1017979539 /nfs/dbraw/zinc/97/95/39/1017979539.db2.gz WVXCAIHIBIYJSD-SOUVJXGZSA-N 2 1 324.469 0.454 20 30 DCEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001480046968 1018156267 /nfs/dbraw/zinc/15/62/67/1018156267.db2.gz NFXXVRMINLIXJS-GOEBONIOSA-N 2 1 300.406 0.872 20 30 DCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001480173401 1018283209 /nfs/dbraw/zinc/28/32/09/1018283209.db2.gz HXQISOZUUJVHQP-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001495264401 1018429855 /nfs/dbraw/zinc/42/98/55/1018429855.db2.gz CURAKRPUOZMVJU-WMZOPIPTSA-N 2 1 321.465 0.995 20 30 DCEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480733701 1018838176 /nfs/dbraw/zinc/83/81/76/1018838176.db2.gz RGTQTJPIMWKDMM-MRXNPFEDSA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCOCC1 ZINC001480771067 1018894178 /nfs/dbraw/zinc/89/41/78/1018894178.db2.gz OIZFADICZRLZGQ-WBVHZDCISA-N 2 1 321.465 0.995 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCOCC1 ZINC001480771067 1018894204 /nfs/dbraw/zinc/89/42/04/1018894204.db2.gz OIZFADICZRLZGQ-WBVHZDCISA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCC[NH2+]C1CCN(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001501269190 1018998277 /nfs/dbraw/zinc/99/82/77/1018998277.db2.gz XAFHPGOEYONTOH-UHFFFAOYSA-N 2 1 319.453 0.938 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001502079307 1019690818 /nfs/dbraw/zinc/69/08/18/1019690818.db2.gz NPIQMUQXDLVDPY-CQSZACIVSA-N 2 1 304.394 0.457 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001663547296 1174319618 /nfs/dbraw/zinc/31/96/18/1174319618.db2.gz CWGICIMZYDJWST-CQSZACIVSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001663547296 1174319623 /nfs/dbraw/zinc/31/96/23/1174319623.db2.gz CWGICIMZYDJWST-CQSZACIVSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001663547296 1174319626 /nfs/dbraw/zinc/31/96/26/1174319626.db2.gz CWGICIMZYDJWST-CQSZACIVSA-N 2 1 310.442 0.209 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001663547296 1174319628 /nfs/dbraw/zinc/31/96/28/1174319628.db2.gz CWGICIMZYDJWST-CQSZACIVSA-N 2 1 310.442 0.209 20 30 DCEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262280460 529809223 /nfs/dbraw/zinc/80/92/23/529809223.db2.gz IYQOXUXUMXJKEP-INIZCTEOSA-N 2 1 320.393 0.641 20 30 DCEDMP CN(CCC#N)C(=O)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182952055 529887898 /nfs/dbraw/zinc/88/78/98/529887898.db2.gz ANMFYKHOFAZBGH-UHFFFAOYSA-N 2 1 309.458 0.318 20 30 DCEDMP COCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000285218980 285004526 /nfs/dbraw/zinc/00/45/26/285004526.db2.gz XHFKVQHIASOGIV-GXTWGEPZSA-N 2 1 308.430 0.354 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000057153617 395939955 /nfs/dbraw/zinc/93/99/55/395939955.db2.gz CZBLKPBWLZYDFB-KRWDZBQOSA-N 2 1 321.465 0.805 20 30 DCEDMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)NCC#N)CC2)C[C@@H](C)O1 ZINC000066497959 396009384 /nfs/dbraw/zinc/00/93/84/396009384.db2.gz WGTBUFGOOXPJTE-ZIAGYGMSSA-N 2 1 308.426 0.447 20 30 DCEDMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594661452 396495226 /nfs/dbraw/zinc/49/52/26/396495226.db2.gz ZRLJFLMBBODKJN-KGLIPLIRSA-N 2 1 306.410 0.691 20 30 DCEDMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594661452 396495229 /nfs/dbraw/zinc/49/52/29/396495229.db2.gz ZRLJFLMBBODKJN-KGLIPLIRSA-N 2 1 306.410 0.691 20 30 DCEDMP C=CCOc1ccccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594737025 396503188 /nfs/dbraw/zinc/50/31/88/396503188.db2.gz WBDGOPXLFATIIC-CABCVRRESA-N 2 1 301.390 0.995 20 30 DCEDMP C=CCOc1ccccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594737025 396503191 /nfs/dbraw/zinc/50/31/91/396503191.db2.gz WBDGOPXLFATIIC-CABCVRRESA-N 2 1 301.390 0.995 20 30 DCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[S@](=O)C(C)(C)C ZINC000304752766 685211465 /nfs/dbraw/zinc/21/14/65/685211465.db2.gz KOOFRNBAEAZTQZ-ODXCJYRJSA-N 2 1 302.488 0.922 20 30 DCEDMP COc1ccncc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000292420816 415844848 /nfs/dbraw/zinc/84/48/48/415844848.db2.gz ZYAOACLTOACDKK-UHFFFAOYSA-N 2 1 307.398 0.217 20 30 DCEDMP C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339438173 416157756 /nfs/dbraw/zinc/15/77/56/416157756.db2.gz ASIXAIRLDWTZGK-CZUORRHYSA-N 2 1 308.426 0.804 20 30 DCEDMP C[NH+]=C(NCc1ccn(C)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261825326 416335873 /nfs/dbraw/zinc/33/58/73/416335873.db2.gz UUVLKYZUJIVVQA-INIZCTEOSA-N 2 1 319.453 0.755 20 30 DCEDMP Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C#N ZINC000359768084 416357980 /nfs/dbraw/zinc/35/79/80/416357980.db2.gz QDYGQOYSPWSLSH-CQSZACIVSA-N 2 1 303.410 0.574 20 30 DCEDMP Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1C#N ZINC000359768084 416357981 /nfs/dbraw/zinc/35/79/81/416357981.db2.gz QDYGQOYSPWSLSH-CQSZACIVSA-N 2 1 303.410 0.574 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000491677390 416613005 /nfs/dbraw/zinc/61/30/05/416613005.db2.gz YKQMQDWVOUWAJX-UHFFFAOYSA-N 2 1 310.442 0.353 20 30 DCEDMP C#CCN1CCN(C(=O)CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000490865562 416577934 /nfs/dbraw/zinc/57/79/34/416577934.db2.gz DSBIJPUOHWMONH-IRXDYDNUSA-N 2 1 320.481 0.426 20 30 DCEDMP C=CC[C@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCC[NH2+]1 ZINC000662756238 417893095 /nfs/dbraw/zinc/89/30/95/417893095.db2.gz ILGVYDXRQHVGNJ-FUHWJXTLSA-N 2 1 320.481 0.923 20 30 DCEDMP C[NH+]=C(NCCn1cccn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179076966 275406267 /nfs/dbraw/zinc/40/62/67/275406267.db2.gz BGQBBSAFUAFEDY-HNNXBMFYSA-N 2 1 320.441 0.113 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1(N2CCOCC2)CC1 ZINC000491523288 333113612 /nfs/dbraw/zinc/11/36/12/333113612.db2.gz CVDAJQZPRSFCSK-UHFFFAOYSA-N 2 1 308.426 0.106 20 30 DCEDMP C[C@@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)N1CCOCC1 ZINC000329821402 336086002 /nfs/dbraw/zinc/08/60/02/336086002.db2.gz YNLSWVSUCDCWGT-IPYPFGDCSA-N 2 1 310.442 0.693 20 30 DCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000392814531 337282338 /nfs/dbraw/zinc/28/23/38/337282338.db2.gz OJIGXJTULZAJCX-MRXNPFEDSA-N 2 1 301.390 0.843 20 30 DCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000392814531 337282339 /nfs/dbraw/zinc/28/23/39/337282339.db2.gz OJIGXJTULZAJCX-MRXNPFEDSA-N 2 1 301.390 0.843 20 30 DCEDMP CC(C)C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424141111 337762008 /nfs/dbraw/zinc/76/20/08/337762008.db2.gz WTZFTNKZVZGCEU-LSDHHAIUSA-N 2 1 310.442 0.871 20 30 DCEDMP C[NH+]=C(NCCn1ccnc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261769849 526368127 /nfs/dbraw/zinc/36/81/27/526368127.db2.gz NWWNTBJMRNYLDC-IUODEOHRSA-N 2 1 304.442 0.839 20 30 DCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264308406 529100572 /nfs/dbraw/zinc/10/05/72/529100572.db2.gz UMRGRRUJMLMYBG-HOTGVXAUSA-N 2 1 304.438 0.979 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000668836488 546856851 /nfs/dbraw/zinc/85/68/51/546856851.db2.gz ZRRBXTSKLNPYTP-HNNXBMFYSA-N 2 1 322.453 0.354 20 30 DCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000668836489 546857575 /nfs/dbraw/zinc/85/75/75/546857575.db2.gz ZRRBXTSKLNPYTP-OAHLLOKOSA-N 2 1 322.453 0.354 20 30 DCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978248241 660506227 /nfs/dbraw/zinc/50/62/27/660506227.db2.gz KGMQPFIDJBEZHZ-LUKYLMHMSA-N 2 1 303.450 0.892 20 30 DCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978248241 660506229 /nfs/dbraw/zinc/50/62/29/660506229.db2.gz KGMQPFIDJBEZHZ-LUKYLMHMSA-N 2 1 303.450 0.892 20 30 DCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978248241 660506231 /nfs/dbraw/zinc/50/62/31/660506231.db2.gz KGMQPFIDJBEZHZ-LUKYLMHMSA-N 2 1 303.450 0.892 20 30 DCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027888602 660888733 /nfs/dbraw/zinc/88/87/33/660888733.db2.gz VAYLUGXBRSHMFW-CQSZACIVSA-N 2 1 305.426 0.825 20 30 DCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC000980454779 660945873 /nfs/dbraw/zinc/94/58/73/660945873.db2.gz YZURQBBRNUHCEV-HOTGVXAUSA-N 2 1 307.438 0.816 20 30 DCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](C)OC)CC1 ZINC000981361539 661140040 /nfs/dbraw/zinc/14/00/40/661140040.db2.gz RTBGTVQQAAWFOD-CVEARBPZSA-N 2 1 307.438 0.653 20 30 DCEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981784723 661216176 /nfs/dbraw/zinc/21/61/76/661216176.db2.gz PTAOWHVWRYWTHW-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981784723 661216177 /nfs/dbraw/zinc/21/61/77/661216177.db2.gz PTAOWHVWRYWTHW-HZPDHXFCSA-N 2 1 319.449 0.960 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccn2C)C1 ZINC001022220446 657566455 /nfs/dbraw/zinc/56/64/55/657566455.db2.gz DNJYSZZQQXOTRO-ZNMIVQPWSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccn2C)C1 ZINC001022220446 657566462 /nfs/dbraw/zinc/56/64/62/657566462.db2.gz DNJYSZZQQXOTRO-ZNMIVQPWSA-N 2 1 315.421 0.255 20 30 DCEDMP C#CCCN1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552650 657764461 /nfs/dbraw/zinc/76/44/61/657764461.db2.gz QQPRDBGIQAFGBR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552650 657764466 /nfs/dbraw/zinc/76/44/66/657764466.db2.gz QQPRDBGIQAFGBR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552650 657764472 /nfs/dbraw/zinc/76/44/72/657764472.db2.gz QQPRDBGIQAFGBR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972552650 657764483 /nfs/dbraw/zinc/76/44/83/657764483.db2.gz QQPRDBGIQAFGBR-WMZOPIPTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972553133 657767364 /nfs/dbraw/zinc/76/73/64/657767364.db2.gz ZXVGSAIGKFUGQQ-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000972553133 657767370 /nfs/dbraw/zinc/76/73/70/657767370.db2.gz ZXVGSAIGKFUGQQ-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553133 657767375 /nfs/dbraw/zinc/76/73/75/657767375.db2.gz ZXVGSAIGKFUGQQ-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553133 657767378 /nfs/dbraw/zinc/76/73/78/657767378.db2.gz ZXVGSAIGKFUGQQ-SJLPKXTDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891920804 657917470 /nfs/dbraw/zinc/91/74/70/657917470.db2.gz DKRICCJJKKGHAZ-HNNXBMFYSA-N 2 1 322.453 0.399 20 30 DCEDMP C#CCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969834319 658191192 /nfs/dbraw/zinc/19/11/92/658191192.db2.gz XJJHCTSUBQZBGG-YOEHRIQHSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969834319 658191194 /nfs/dbraw/zinc/19/11/94/658191194.db2.gz XJJHCTSUBQZBGG-YOEHRIQHSA-N 2 1 319.449 0.700 20 30 DCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969834319 658191195 /nfs/dbraw/zinc/19/11/95/658191195.db2.gz XJJHCTSUBQZBGG-YOEHRIQHSA-N 2 1 319.449 0.700 20 30 DCEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972673924 658222852 /nfs/dbraw/zinc/22/28/52/658222852.db2.gz MCOPTAXXQQDRAK-DOTOQJQBSA-N 2 1 307.438 0.818 20 30 DCEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC000972700562 658290090 /nfs/dbraw/zinc/29/00/90/658290090.db2.gz ZBBRNUXELPVOAM-INIZCTEOSA-N 2 1 304.394 0.763 20 30 DCEDMP C=CCCN1CCO[C@@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC000972700562 658290095 /nfs/dbraw/zinc/29/00/95/658290095.db2.gz ZBBRNUXELPVOAM-INIZCTEOSA-N 2 1 304.394 0.763 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001024506552 658671709 /nfs/dbraw/zinc/67/17/09/658671709.db2.gz MZFAOQCFNFBUDQ-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506552 658671715 /nfs/dbraw/zinc/67/17/15/658671715.db2.gz MZFAOQCFNFBUDQ-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506552 658671718 /nfs/dbraw/zinc/67/17/18/658671718.db2.gz MZFAOQCFNFBUDQ-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506552 658671726 /nfs/dbraw/zinc/67/17/26/658671726.db2.gz MZFAOQCFNFBUDQ-BZUAXINKSA-N 2 1 307.438 0.700 20 30 DCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970170497 658688851 /nfs/dbraw/zinc/68/88/51/658688851.db2.gz STJITZSQIPWMJE-KDWRMLKXSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389195 658700115 /nfs/dbraw/zinc/70/01/15/658700115.db2.gz IGRYUCLKVBUGHJ-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389195 658700118 /nfs/dbraw/zinc/70/01/18/658700118.db2.gz IGRYUCLKVBUGHJ-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389195 658700123 /nfs/dbraw/zinc/70/01/23/658700123.db2.gz IGRYUCLKVBUGHJ-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389195 658700127 /nfs/dbraw/zinc/70/01/27/658700127.db2.gz IGRYUCLKVBUGHJ-JFIYKMOQSA-N 2 1 319.449 0.653 20 30 DCEDMP C[C@@H]1C[C@@H](NC(NCC(=O)N(C)C)=[NH+]C2CC2)C[N@H+]1C1CC1 ZINC000262252609 658896096 /nfs/dbraw/zinc/89/60/96/658896096.db2.gz CFUYTMIDEQYASF-DGCLKSJQSA-N 2 1 307.442 0.397 20 30 DCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850467 659695292 /nfs/dbraw/zinc/69/52/92/659695292.db2.gz HZIPCVATTRDYJB-NWPKHEMWSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850467 659695296 /nfs/dbraw/zinc/69/52/96/659695296.db2.gz HZIPCVATTRDYJB-NWPKHEMWSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850467 659695298 /nfs/dbraw/zinc/69/52/98/659695298.db2.gz HZIPCVATTRDYJB-NWPKHEMWSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974850467 659695302 /nfs/dbraw/zinc/69/53/02/659695302.db2.gz HZIPCVATTRDYJB-NWPKHEMWSA-N 2 1 317.433 0.309 20 30 DCEDMP C#CC[N@H+]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982156424 661299699 /nfs/dbraw/zinc/29/96/99/661299699.db2.gz YQUOYXPLMLQNIN-UHFFFAOYSA-N 2 1 303.410 0.226 20 30 DCEDMP C#CC[N@@H+]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982156424 661299701 /nfs/dbraw/zinc/29/97/01/661299701.db2.gz YQUOYXPLMLQNIN-UHFFFAOYSA-N 2 1 303.410 0.226 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](C)OC)CC1 ZINC001028333564 661461630 /nfs/dbraw/zinc/46/16/30/661461630.db2.gz OMXBCXIVLVUDJJ-NVXWUHKLSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](C)OC)CC1 ZINC001028333562 661461828 /nfs/dbraw/zinc/46/18/28/661461828.db2.gz OMXBCXIVLVUDJJ-DOTOQJQBSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028545507 661605045 /nfs/dbraw/zinc/60/50/45/661605045.db2.gz HQWQOJSADGTSDH-AWEZNQCLSA-N 2 1 305.426 0.682 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001028643735 661716003 /nfs/dbraw/zinc/71/60/03/661716003.db2.gz RJTNCAZZLPSKNE-HUUCEWRRSA-N 2 1 300.406 0.907 20 30 DCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000715592 665920844 /nfs/dbraw/zinc/92/08/44/665920844.db2.gz SUXSPAKQDLILKP-CVEARBPZSA-N 2 1 303.406 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715592 665920845 /nfs/dbraw/zinc/92/08/45/665920845.db2.gz SUXSPAKQDLILKP-CVEARBPZSA-N 2 1 303.406 0.231 20 30 DCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715592 665920848 /nfs/dbraw/zinc/92/08/48/665920848.db2.gz SUXSPAKQDLILKP-CVEARBPZSA-N 2 1 303.406 0.231 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001032795368 665926698 /nfs/dbraw/zinc/92/66/98/665926698.db2.gz MHDOAIPUORPCKH-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001032795368 665926700 /nfs/dbraw/zinc/92/67/00/665926700.db2.gz MHDOAIPUORPCKH-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001032795368 665926703 /nfs/dbraw/zinc/92/67/03/665926703.db2.gz MHDOAIPUORPCKH-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001032795368 665926705 /nfs/dbraw/zinc/92/67/05/665926705.db2.gz MHDOAIPUORPCKH-HRCADAONSA-N 2 1 307.438 0.958 20 30 DCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000900696469 663269606 /nfs/dbraw/zinc/26/96/06/663269606.db2.gz SVFYQJTXTOYQJB-HNNXBMFYSA-N 2 1 310.486 0.884 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](C)OC)CC1 ZINC001032800760 665977092 /nfs/dbraw/zinc/97/70/92/665977092.db2.gz YKRVVTPTDQZJAA-XIRDDKMYSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516354 666290468 /nfs/dbraw/zinc/29/04/68/666290468.db2.gz MAURMJGUZVDAAV-ZBFHGGJFSA-N 2 1 317.437 0.518 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922629690 666498768 /nfs/dbraw/zinc/49/87/68/666498768.db2.gz YLNHDRXZKLMNRT-CABCVRRESA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922629690 666498770 /nfs/dbraw/zinc/49/87/70/666498770.db2.gz YLNHDRXZKLMNRT-CABCVRRESA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922629690 666498772 /nfs/dbraw/zinc/49/87/72/666498772.db2.gz YLNHDRXZKLMNRT-CABCVRRESA-N 2 1 324.494 0.821 20 30 DCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033096800 666503147 /nfs/dbraw/zinc/50/31/47/666503147.db2.gz NKXYQNBEHFUPFI-OAHLLOKOSA-N 2 1 300.406 0.928 20 30 DCEDMP C#CCN1CC[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033096800 666503149 /nfs/dbraw/zinc/50/31/49/666503149.db2.gz NKXYQNBEHFUPFI-OAHLLOKOSA-N 2 1 300.406 0.928 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001033684367 666795157 /nfs/dbraw/zinc/79/51/57/666795157.db2.gz NVSYLMRHZVLNJV-DOTOQJQBSA-N 2 1 321.465 0.899 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001033686626 666795432 /nfs/dbraw/zinc/79/54/32/666795432.db2.gz REERVAIRZBCHKS-QGZVFWFLSA-N 2 1 301.434 0.888 20 30 DCEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035169431 667261989 /nfs/dbraw/zinc/26/19/89/667261989.db2.gz BIUKKIPHMTWUCV-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035169431 667261993 /nfs/dbraw/zinc/26/19/93/667261993.db2.gz BIUKKIPHMTWUCV-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035169431 667261997 /nfs/dbraw/zinc/26/19/97/667261997.db2.gz BIUKKIPHMTWUCV-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035169431 667261998 /nfs/dbraw/zinc/26/19/98/667261998.db2.gz BIUKKIPHMTWUCV-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997430621 667291417 /nfs/dbraw/zinc/29/14/17/667291417.db2.gz FOJWBJPLTQPJTF-GDBMZVCRSA-N 2 1 307.438 0.557 20 30 DCEDMP CCOCC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884185266 667492991 /nfs/dbraw/zinc/49/29/91/667492991.db2.gz PTFDEQHYLVHWJD-CKDBGZEDSA-N 2 1 320.437 0.306 20 30 DCEDMP C#CCN1CCC[C@H](NC(=O)NCCC[N@H+](C)CCOC)C1 ZINC000884198310 667495495 /nfs/dbraw/zinc/49/54/95/667495495.db2.gz RZEWCEXJUSLSLE-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000884198310 667495496 /nfs/dbraw/zinc/49/54/96/667495496.db2.gz RZEWCEXJUSLSLE-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+](C)CCOC)C1 ZINC000884198310 667495497 /nfs/dbraw/zinc/49/54/97/667495497.db2.gz RZEWCEXJUSLSLE-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)CCOC)C1 ZINC000884198310 667495498 /nfs/dbraw/zinc/49/54/98/667495498.db2.gz RZEWCEXJUSLSLE-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)CCOC)C1 ZINC000884198310 667495499 /nfs/dbraw/zinc/49/54/99/667495499.db2.gz RZEWCEXJUSLSLE-HNNXBMFYSA-N 2 1 310.442 0.352 20 30 DCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000884213128 667500297 /nfs/dbraw/zinc/50/02/97/667500297.db2.gz UNRLMODPJKNJPC-INCLHDFMSA-N 2 1 302.422 0.821 20 30 DCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884213130 667500450 /nfs/dbraw/zinc/50/04/50/667500450.db2.gz UNRLMODPJKNJPC-QZWLQQCHSA-N 2 1 302.422 0.821 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000884217779 667501916 /nfs/dbraw/zinc/50/19/16/667501916.db2.gz WIJKKEYGFQSVPW-IJEWVQPXSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000884217779 667501917 /nfs/dbraw/zinc/50/19/17/667501917.db2.gz WIJKKEYGFQSVPW-IJEWVQPXSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000884217779 667501918 /nfs/dbraw/zinc/50/19/18/667501918.db2.gz WIJKKEYGFQSVPW-IJEWVQPXSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000884217779 667501919 /nfs/dbraw/zinc/50/19/19/667501919.db2.gz WIJKKEYGFQSVPW-IJEWVQPXSA-N 2 1 304.438 0.866 20 30 DCEDMP C#CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000886578736 667778781 /nfs/dbraw/zinc/77/87/81/667778781.db2.gz JUIGLQFAHVRFSS-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000752101160 668013532 /nfs/dbraw/zinc/01/35/32/668013532.db2.gz HHBYELGDLANAEH-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000752101160 668013533 /nfs/dbraw/zinc/01/35/33/668013533.db2.gz HHBYELGDLANAEH-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#C)[C@@H](C)C2)CC1 ZINC000948070191 670053438 /nfs/dbraw/zinc/05/34/38/670053438.db2.gz NNTUHTKZBJWUDA-RDJZCZTQSA-N 2 1 301.434 0.934 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842493 670214780 /nfs/dbraw/zinc/21/47/80/670214780.db2.gz QBZUPBODKWADKL-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842493 670214784 /nfs/dbraw/zinc/21/47/84/670214784.db2.gz QBZUPBODKWADKL-IRXDYDNUSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC000949052092 670248077 /nfs/dbraw/zinc/24/80/77/670248077.db2.gz WXQWSASLPUNGEQ-MRXNPFEDSA-N 2 1 319.449 0.797 20 30 DCEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949244565 670295867 /nfs/dbraw/zinc/29/58/67/670295867.db2.gz NZLZUOUHYDVPTQ-INIZCTEOSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCN1CCOC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949509721 670357828 /nfs/dbraw/zinc/35/78/28/670357828.db2.gz XWQUSUSFGQHNBE-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000854093227 670523989 /nfs/dbraw/zinc/52/39/89/670523989.db2.gz ZKYUCMUIUAZDNT-INIZCTEOSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000854093227 670523994 /nfs/dbraw/zinc/52/39/94/670523994.db2.gz ZKYUCMUIUAZDNT-INIZCTEOSA-N 2 1 322.453 0.182 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000854093227 670524002 /nfs/dbraw/zinc/52/40/02/670524002.db2.gz ZKYUCMUIUAZDNT-INIZCTEOSA-N 2 1 322.453 0.182 20 30 DCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000852865739 671178903 /nfs/dbraw/zinc/17/89/03/671178903.db2.gz NQMQYXKYYWXNJP-JKSUJKDBSA-N 2 1 305.422 0.047 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000836284912 671822271 /nfs/dbraw/zinc/82/22/71/671822271.db2.gz WMBHCYUOXQBYOG-HUUCEWRRSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000836284912 671822273 /nfs/dbraw/zinc/82/22/73/671822273.db2.gz WMBHCYUOXQBYOG-HUUCEWRRSA-N 2 1 308.426 0.104 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1 ZINC001020251246 693746775 /nfs/dbraw/zinc/74/67/75/693746775.db2.gz CGEQHLBIIWVEFR-ULQDDVLXSA-N 2 1 319.449 0.747 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1 ZINC001020251246 693746779 /nfs/dbraw/zinc/74/67/79/693746779.db2.gz CGEQHLBIIWVEFR-ULQDDVLXSA-N 2 1 319.449 0.747 20 30 DCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214827 687447359 /nfs/dbraw/zinc/44/73/59/687447359.db2.gz NNEHAMQRNNMZBR-GJZGRUSLSA-N 2 1 305.422 0.047 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958222509 687454711 /nfs/dbraw/zinc/45/47/11/687454711.db2.gz FANAXUIAQPVFHD-GDBMZVCRSA-N 2 1 312.373 0.380 20 30 DCEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222677 687455171 /nfs/dbraw/zinc/45/51/71/687455171.db2.gz FWJSUQUHWBXWIY-HOCLYGCPSA-N 2 1 312.373 0.380 20 30 DCEDMP CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958261771 687490129 /nfs/dbraw/zinc/49/01/29/687490129.db2.gz AQGUNGOFRCYNIO-GOEBONIOSA-N 2 1 312.373 0.380 20 30 DCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958261770 687490606 /nfs/dbraw/zinc/49/06/06/687490606.db2.gz AQGUNGOFRCYNIO-GDBMZVCRSA-N 2 1 312.373 0.380 20 30 DCEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344730 687564533 /nfs/dbraw/zinc/56/45/33/687564533.db2.gz JLFLGRMVMXCMMX-UONOGXRCSA-N 2 1 307.394 0.550 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCC)C[C@H]2O)CC1 ZINC000958724134 687877149 /nfs/dbraw/zinc/87/71/49/687877149.db2.gz LWUNNILNZWTRIG-JKSUJKDBSA-N 2 1 307.438 0.151 20 30 DCEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136130 694496306 /nfs/dbraw/zinc/49/63/06/694496306.db2.gz DNWLBDWKARTORO-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136130 694496309 /nfs/dbraw/zinc/49/63/09/694496309.db2.gz DNWLBDWKARTORO-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136130 694496314 /nfs/dbraw/zinc/49/63/14/694496314.db2.gz DNWLBDWKARTORO-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136130 694496319 /nfs/dbraw/zinc/49/63/19/694496319.db2.gz DNWLBDWKARTORO-AEFFLSMTSA-N 2 1 319.449 0.655 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706741 692407524 /nfs/dbraw/zinc/40/75/24/692407524.db2.gz XMLZGMDQCBMESS-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706741 692407528 /nfs/dbraw/zinc/40/75/28/692407528.db2.gz XMLZGMDQCBMESS-GJZGRUSLSA-N 2 1 300.406 0.968 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](CC)OC)C2)CC1 ZINC001016337159 692656095 /nfs/dbraw/zinc/65/60/95/692656095.db2.gz POFPYVHBFBVBIB-IAGOWNOFSA-N 2 1 321.465 0.947 20 30 DCEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016553910 692718910 /nfs/dbraw/zinc/71/89/10/692718910.db2.gz VIGBHJNYCPGIQS-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553910 692718912 /nfs/dbraw/zinc/71/89/12/692718912.db2.gz VIGBHJNYCPGIQS-HUUCEWRRSA-N 2 1 307.438 0.864 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016986189 692821180 /nfs/dbraw/zinc/82/11/80/692821180.db2.gz NIQBEAGZEXEREL-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016986189 692821181 /nfs/dbraw/zinc/82/11/81/692821181.db2.gz NIQBEAGZEXEREL-HOTGVXAUSA-N 2 1 319.449 0.701 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073449389 694728370 /nfs/dbraw/zinc/72/83/70/694728370.db2.gz WJUZIDZKEYDKKR-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073449389 694728372 /nfs/dbraw/zinc/72/83/72/694728372.db2.gz WJUZIDZKEYDKKR-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073449389 694728373 /nfs/dbraw/zinc/72/83/73/694728373.db2.gz WJUZIDZKEYDKKR-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073449389 694728374 /nfs/dbraw/zinc/72/83/74/694728374.db2.gz WJUZIDZKEYDKKR-HNNXBMFYSA-N 2 1 305.422 0.265 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001073673004 694764221 /nfs/dbraw/zinc/76/42/21/694764221.db2.gz SEWOYPFMQHOYIO-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001073673004 694764223 /nfs/dbraw/zinc/76/42/23/694764223.db2.gz SEWOYPFMQHOYIO-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001073673004 694764224 /nfs/dbraw/zinc/76/42/24/694764224.db2.gz SEWOYPFMQHOYIO-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001073673004 694764225 /nfs/dbraw/zinc/76/42/25/694764225.db2.gz SEWOYPFMQHOYIO-SJORKVTESA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746495 694776418 /nfs/dbraw/zinc/77/64/18/694776418.db2.gz ZMVYHGDTWTVSKE-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001073746495 694776421 /nfs/dbraw/zinc/77/64/21/694776421.db2.gz ZMVYHGDTWTVSKE-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073746495 694776423 /nfs/dbraw/zinc/77/64/23/694776423.db2.gz ZMVYHGDTWTVSKE-YESZJQIVSA-N 2 1 321.465 0.947 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174370 695003458 /nfs/dbraw/zinc/00/34/58/695003458.db2.gz ITDYXUCIZAIHOH-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174370 695003459 /nfs/dbraw/zinc/00/34/59/695003459.db2.gz ITDYXUCIZAIHOH-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174370 695003460 /nfs/dbraw/zinc/00/34/60/695003460.db2.gz ITDYXUCIZAIHOH-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174370 695003461 /nfs/dbraw/zinc/00/34/61/695003461.db2.gz ITDYXUCIZAIHOH-GVDBMIGSSA-N 2 1 319.449 0.652 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076593917 695031120 /nfs/dbraw/zinc/03/11/20/695031120.db2.gz CXLXXUMOULAEOP-XHSDSOJGSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076593917 695031121 /nfs/dbraw/zinc/03/11/21/695031121.db2.gz CXLXXUMOULAEOP-XHSDSOJGSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076593917 695031122 /nfs/dbraw/zinc/03/11/22/695031122.db2.gz CXLXXUMOULAEOP-XHSDSOJGSA-N 2 1 305.422 0.263 20 30 DCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076593917 695031123 /nfs/dbraw/zinc/03/11/23/695031123.db2.gz CXLXXUMOULAEOP-XHSDSOJGSA-N 2 1 305.422 0.263 20 30 DCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007561 695123841 /nfs/dbraw/zinc/12/38/41/695123841.db2.gz RQQDLOKCLYNMST-BZUAXINKSA-N 2 1 307.438 0.456 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001570862104 1162636180 /nfs/dbraw/zinc/63/61/80/1162636180.db2.gz PSLQJVFLTUBQTP-KBPBESRZSA-N 2 1 322.453 0.209 20 30 DCEDMP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001570987535 1162663711 /nfs/dbraw/zinc/66/37/11/1162663711.db2.gz SDOGDDANRYPGEQ-CABCVRRESA-N 2 1 306.410 0.973 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCn1cccn1 ZINC001571390866 1162729298 /nfs/dbraw/zinc/72/92/98/1162729298.db2.gz PKFKRQFGKSMHTM-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCn1cccn1 ZINC001571390866 1162729300 /nfs/dbraw/zinc/72/93/00/1162729300.db2.gz PKFKRQFGKSMHTM-HOTGVXAUSA-N 2 1 317.437 0.417 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCO)C(C)(C)C1 ZINC001571558960 1162810993 /nfs/dbraw/zinc/81/09/93/1162810993.db2.gz UWBCUFDFUPVPJV-GJZGRUSLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCO)C(C)(C)C1 ZINC001571558960 1162811002 /nfs/dbraw/zinc/81/10/02/1162811002.db2.gz UWBCUFDFUPVPJV-GJZGRUSLSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC1CC1 ZINC001571602197 1162848876 /nfs/dbraw/zinc/84/88/76/1162848876.db2.gz AKEWNVOCTPBKAH-HOTGVXAUSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC1CC1 ZINC001571602197 1162848884 /nfs/dbraw/zinc/84/88/84/1162848884.db2.gz AKEWNVOCTPBKAH-HOTGVXAUSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC1CC1 ZINC001571602197 1162848893 /nfs/dbraw/zinc/84/88/93/1162848893.db2.gz AKEWNVOCTPBKAH-HOTGVXAUSA-N 2 1 307.438 0.245 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC1CC1 ZINC001571602197 1162848903 /nfs/dbraw/zinc/84/89/03/1162848903.db2.gz AKEWNVOCTPBKAH-HOTGVXAUSA-N 2 1 307.438 0.245 20 30 DCEDMP CCN(CC#CCOC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001691019957 1157401811 /nfs/dbraw/zinc/40/18/11/1157401811.db2.gz LZBMPHXORVWTET-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001691019957 1157401814 /nfs/dbraw/zinc/40/18/14/1157401814.db2.gz LZBMPHXORVWTET-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001691019957 1157401818 /nfs/dbraw/zinc/40/18/18/1157401818.db2.gz LZBMPHXORVWTET-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001691019957 1157401822 /nfs/dbraw/zinc/40/18/22/1157401822.db2.gz LZBMPHXORVWTET-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001691019957 1157401826 /nfs/dbraw/zinc/40/18/26/1157401826.db2.gz LZBMPHXORVWTET-MRXNPFEDSA-N 2 1 309.454 0.947 20 30 DCEDMP C=CCNC(=O)CN(CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001691026263 1157437599 /nfs/dbraw/zinc/43/75/99/1157437599.db2.gz XVTIDFTVUWBZKO-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)CN(CC)CCNC(=O)[C@H]1CCCCN1C ZINC001691026263 1157437602 /nfs/dbraw/zinc/43/76/02/1157437602.db2.gz XVTIDFTVUWBZKO-CQSZACIVSA-N 2 1 310.442 0.211 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001571698279 1162912698 /nfs/dbraw/zinc/91/26/98/1162912698.db2.gz BCGKLQBQEAIPSB-OAHLLOKOSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001571698279 1162912709 /nfs/dbraw/zinc/91/27/09/1162912709.db2.gz BCGKLQBQEAIPSB-OAHLLOKOSA-N 2 1 322.453 0.377 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001691535455 1158317252 /nfs/dbraw/zinc/31/72/52/1158317252.db2.gz FNEQBXWPZBMQCA-OAHLLOKOSA-N 2 1 307.438 0.554 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001670968744 1158652590 /nfs/dbraw/zinc/65/25/90/1158652590.db2.gz CKTGLYDRWUTAJY-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001670968744 1158652594 /nfs/dbraw/zinc/65/25/94/1158652594.db2.gz CKTGLYDRWUTAJY-SJORKVTESA-N 2 1 319.449 0.797 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001566610310 1160093508 /nfs/dbraw/zinc/09/35/08/1160093508.db2.gz ACVVUXBDXDCLQA-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP C=CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001566610310 1160093516 /nfs/dbraw/zinc/09/35/16/1160093516.db2.gz ACVVUXBDXDCLQA-OAHLLOKOSA-N 2 1 322.453 0.306 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001566793396 1160155160 /nfs/dbraw/zinc/15/51/60/1160155160.db2.gz QLXQCFKTYXIPLC-BZUAXINKSA-N 2 1 307.438 0.747 20 30 DCEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001567477037 1160385419 /nfs/dbraw/zinc/38/54/19/1160385419.db2.gz BFFVBKVLMZGZCJ-INIZCTEOSA-N 2 1 316.405 0.437 20 30 DCEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001567477037 1160385430 /nfs/dbraw/zinc/38/54/30/1160385430.db2.gz BFFVBKVLMZGZCJ-INIZCTEOSA-N 2 1 316.405 0.437 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC[C@@H]1CCOC1 ZINC001567510661 1160403028 /nfs/dbraw/zinc/40/30/28/1160403028.db2.gz FVNUVNRYMKSSGT-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC[C@@H]1CCOC1 ZINC001567510661 1160403029 /nfs/dbraw/zinc/40/30/29/1160403029.db2.gz FVNUVNRYMKSSGT-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567709246 1160460916 /nfs/dbraw/zinc/46/09/16/1160460916.db2.gz KBAAKOJIXDILIB-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567709246 1160460919 /nfs/dbraw/zinc/46/09/19/1160460919.db2.gz KBAAKOJIXDILIB-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP COCC#CC[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567709246 1160460921 /nfs/dbraw/zinc/46/09/21/1160460921.db2.gz KBAAKOJIXDILIB-SJORKVTESA-N 2 1 321.465 0.806 20 30 DCEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001567710915 1160461147 /nfs/dbraw/zinc/46/11/47/1160461147.db2.gz AXHIXEWNFXYPCA-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001567710915 1160461150 /nfs/dbraw/zinc/46/11/50/1160461150.db2.gz AXHIXEWNFXYPCA-KRWDZBQOSA-N 2 1 321.465 0.950 20 30 DCEDMP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001568415572 1160642868 /nfs/dbraw/zinc/64/28/68/1160642868.db2.gz YJWRJDVJOBAIMT-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001569765726 1161234081 /nfs/dbraw/zinc/23/40/81/1161234081.db2.gz QKMJCTNYWXCLAB-KRWDZBQOSA-N 2 1 307.438 0.439 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001569820920 1161270219 /nfs/dbraw/zinc/27/02/19/1161270219.db2.gz MJMNOEXFXUPESL-DLBZAZTESA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001569889137 1161296984 /nfs/dbraw/zinc/29/69/84/1161296984.db2.gz XAQYVZKSEVDWCK-MRXNPFEDSA-N 2 1 320.481 0.522 20 30 DCEDMP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC001575402920 1164000336 /nfs/dbraw/zinc/00/03/36/1164000336.db2.gz WUOCZZFYKVESED-KKUMJFAQSA-N 2 1 321.469 0.394 20 30 DCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC001580047040 1165486114 /nfs/dbraw/zinc/48/61/14/1165486114.db2.gz BRVMRCWSPKUICJ-OAHLLOKOSA-N 2 1 308.426 0.721 20 30 DCEDMP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001656780740 1173883970 /nfs/dbraw/zinc/88/39/70/1173883970.db2.gz ZEBGPSVWKOXGOZ-MRXNPFEDSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001656780740 1173883975 /nfs/dbraw/zinc/88/39/75/1173883975.db2.gz ZEBGPSVWKOXGOZ-MRXNPFEDSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001656780740 1173883981 /nfs/dbraw/zinc/88/39/81/1173883981.db2.gz ZEBGPSVWKOXGOZ-MRXNPFEDSA-N 2 1 323.481 0.883 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001673306739 1174020354 /nfs/dbraw/zinc/02/03/54/1174020354.db2.gz ZPKDLKZGQHTAPA-IAGOWNOFSA-N 2 1 321.465 0.949 20 30 DCEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001662142731 1174182001 /nfs/dbraw/zinc/18/20/01/1174182001.db2.gz XBOFESXXQUBPLA-UYSNPLJNSA-N 2 1 307.438 0.747 20 30 DCEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001662142731 1174182006 /nfs/dbraw/zinc/18/20/06/1174182006.db2.gz XBOFESXXQUBPLA-UYSNPLJNSA-N 2 1 307.438 0.747 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001662429337 1174208347 /nfs/dbraw/zinc/20/83/47/1174208347.db2.gz HQYVBKKIVHMDBB-MRXNPFEDSA-N 2 1 317.433 0.863 20 30 DCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001662429337 1174208353 /nfs/dbraw/zinc/20/83/53/1174208353.db2.gz HQYVBKKIVHMDBB-MRXNPFEDSA-N 2 1 317.433 0.863 20 30 DCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001663645459 1174338517 /nfs/dbraw/zinc/33/85/17/1174338517.db2.gz VHOVIGYCBCNYQV-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001663645459 1174338520 /nfs/dbraw/zinc/33/85/20/1174338520.db2.gz VHOVIGYCBCNYQV-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001663645459 1174338524 /nfs/dbraw/zinc/33/85/24/1174338524.db2.gz VHOVIGYCBCNYQV-SJORKVTESA-N 2 1 321.465 0.949 20 30 DCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665664681 1174548202 /nfs/dbraw/zinc/54/82/02/1174548202.db2.gz QOYUFEOQFJWDLS-GDBMZVCRSA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665664681 1174548210 /nfs/dbraw/zinc/54/82/10/1174548210.db2.gz QOYUFEOQFJWDLS-GDBMZVCRSA-N 2 1 324.469 0.408 20 30 DCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001666563164 1174610545 /nfs/dbraw/zinc/61/05/45/1174610545.db2.gz IUZGYRMWAJBOHF-JKSUJKDBSA-N 2 1 309.454 0.853 20 30 DCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001666563161 1174611048 /nfs/dbraw/zinc/61/10/48/1174611048.db2.gz IUZGYRMWAJBOHF-CVEARBPZSA-N 2 1 309.454 0.853 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001667306441 1174675261 /nfs/dbraw/zinc/67/52/61/1174675261.db2.gz FJBQEMHDQAMJNI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001667306441 1174675263 /nfs/dbraw/zinc/67/52/63/1174675263.db2.gz FJBQEMHDQAMJNI-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001669930633 1174963637 /nfs/dbraw/zinc/96/36/37/1174963637.db2.gz QCHMYMIIWXWYHD-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001671603430 1175021142 /nfs/dbraw/zinc/02/11/42/1175021142.db2.gz QHRRBQCEPWNPGH-INIZCTEOSA-N 2 1 318.465 0.180 20 30 DCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001672035105 1175068928 /nfs/dbraw/zinc/06/89/28/1175068928.db2.gz UAPXXEXFEDYEMK-KRWDZBQOSA-N 2 1 307.438 0.293 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CCO1 ZINC001673274791 1175184404 /nfs/dbraw/zinc/18/44/04/1175184404.db2.gz ZKCPNGNIWZEJMU-HUUCEWRRSA-N 2 1 318.421 0.847 20 30 DCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001673700456 1175225579 /nfs/dbraw/zinc/22/55/79/1175225579.db2.gz XWKSUDJEGGLLSI-WBVHZDCISA-N 2 1 307.438 0.295 20 30 DCEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001673946969 1175242357 /nfs/dbraw/zinc/24/23/57/1175242357.db2.gz UTHXLWRFCOQVHF-HNNXBMFYSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001674085555 1175252090 /nfs/dbraw/zinc/25/20/90/1175252090.db2.gz ZYHCHHFESNONLY-OAHLLOKOSA-N 2 1 309.454 0.990 20 30 DCEDMP C#CC[N@@H+](C)CCOCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001676140011 1175426216 /nfs/dbraw/zinc/42/62/16/1175426216.db2.gz NKBLJMXEWPYTPA-UHFFFAOYSA-N 2 1 305.422 0.029 20 30 DCEDMP CC#CC[NH2+]CCCOCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001676187874 1175427949 /nfs/dbraw/zinc/42/79/49/1175427949.db2.gz WUJREMALNMWLGB-KRWDZBQOSA-N 2 1 307.438 0.608 20 30 DCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001677178707 1175544765 /nfs/dbraw/zinc/54/47/65/1175544765.db2.gz JTUXLHZNNZWNCU-ZDUSSCGKSA-N 2 1 306.410 0.462 20 30 DCEDMP CC#CCN(C)C[C@H](O)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001677178707 1175544770 /nfs/dbraw/zinc/54/47/70/1175544770.db2.gz JTUXLHZNNZWNCU-ZDUSSCGKSA-N 2 1 306.410 0.462 20 30 DCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001689204830 1176740481 /nfs/dbraw/zinc/74/04/81/1176740481.db2.gz QPSBTKMHVFRALR-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001689204830 1176740483 /nfs/dbraw/zinc/74/04/83/1176740483.db2.gz QPSBTKMHVFRALR-MRXNPFEDSA-N 2 1 309.454 0.942 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@H](C)C(=O)NC ZINC001689937655 1177120178 /nfs/dbraw/zinc/12/01/78/1177120178.db2.gz IIAJINBXUYPVOD-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)[C@H](C)C(=O)NC ZINC001689937655 1177120179 /nfs/dbraw/zinc/12/01/79/1177120179.db2.gz IIAJINBXUYPVOD-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@H](C)C(=O)NC ZINC001689937655 1177120183 /nfs/dbraw/zinc/12/01/83/1177120183.db2.gz IIAJINBXUYPVOD-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@H](C)C(=O)NC ZINC001689937655 1177120184 /nfs/dbraw/zinc/12/01/84/1177120184.db2.gz IIAJINBXUYPVOD-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690091750 1177168879 /nfs/dbraw/zinc/16/88/79/1177168879.db2.gz FVDCKYDLDJOONO-HZPDHXFCSA-N 2 1 305.422 0.169 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690091750 1177168882 /nfs/dbraw/zinc/16/88/82/1177168882.db2.gz FVDCKYDLDJOONO-HZPDHXFCSA-N 2 1 305.422 0.169 20 30 DCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001690279236 1177203819 /nfs/dbraw/zinc/20/38/19/1177203819.db2.gz XODXRDFZMAMMME-AAVRWANBSA-N 2 1 302.378 0.400 20 30 DCEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690376935 1177227509 /nfs/dbraw/zinc/22/75/09/1177227509.db2.gz RDUDKPVJZJCFRM-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690376935 1177227514 /nfs/dbraw/zinc/22/75/14/1177227514.db2.gz RDUDKPVJZJCFRM-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001690376935 1177227519 /nfs/dbraw/zinc/22/75/19/1177227519.db2.gz RDUDKPVJZJCFRM-CVEARBPZSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001690434073 1177242373 /nfs/dbraw/zinc/24/23/73/1177242373.db2.gz OREDQFWXJQLVEW-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001690434073 1177242382 /nfs/dbraw/zinc/24/23/82/1177242382.db2.gz OREDQFWXJQLVEW-JKSUJKDBSA-N 2 1 307.438 0.559 20 30 DCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001690627420 1177287178 /nfs/dbraw/zinc/28/71/78/1177287178.db2.gz XRADBBQNYSOWKT-AWEZNQCLSA-N 2 1 306.410 0.751 20 30 DCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001691985675 1177396950 /nfs/dbraw/zinc/39/69/50/1177396950.db2.gz YWXJPCHHEVUYFC-OAHLLOKOSA-N 2 1 317.437 0.472 20 30 DCEDMP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001699011493 1177770148 /nfs/dbraw/zinc/77/01/48/1177770148.db2.gz AJVGTCQMEJOWMO-DLBZAZTESA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001699858342 1178320161 /nfs/dbraw/zinc/32/01/61/1178320161.db2.gz ZBLQMIZAEWLJEC-GOSISDBHSA-N 2 1 321.465 0.949 20 30 DCEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001699898494 1178347068 /nfs/dbraw/zinc/34/70/68/1178347068.db2.gz OBYOFCJSZIEWRS-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001699898494 1178347074 /nfs/dbraw/zinc/34/70/74/1178347074.db2.gz OBYOFCJSZIEWRS-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001699898494 1178347081 /nfs/dbraw/zinc/34/70/81/1178347081.db2.gz OBYOFCJSZIEWRS-WBVHZDCISA-N 2 1 309.454 0.988 20 30 DCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001699899207 1178350599 /nfs/dbraw/zinc/35/05/99/1178350599.db2.gz VFUHVZMUWYJGQZ-QGZVFWFLSA-N 2 1 307.438 0.437 20 30 DCEDMP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001699923883 1178383982 /nfs/dbraw/zinc/38/39/82/1178383982.db2.gz RWJWBGXUIPAXGM-LSDHHAIUSA-N 2 1 309.454 0.846 20 30 DCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001700143711 1178493732 /nfs/dbraw/zinc/49/37/32/1178493732.db2.gz GXYOTUPKNFDYRU-ZDUSSCGKSA-N 2 1 308.426 0.011 20 30 DCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC001700167669 1178513333 /nfs/dbraw/zinc/51/33/33/1178513333.db2.gz DMCCALBOUDRMFY-IAGOWNOFSA-N 2 1 315.417 0.740 20 30 DCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001700318810 1178579800 /nfs/dbraw/zinc/57/98/00/1178579800.db2.gz WOKFMOBQSAOCPI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001700318810 1178579802 /nfs/dbraw/zinc/57/98/02/1178579802.db2.gz WOKFMOBQSAOCPI-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCOC ZINC001701002596 1178867804 /nfs/dbraw/zinc/86/78/04/1178867804.db2.gz HCDBMZQKJNGIBV-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCOC ZINC001701002596 1178867814 /nfs/dbraw/zinc/86/78/14/1178867814.db2.gz HCDBMZQKJNGIBV-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CCOC ZINC001701002596 1178867820 /nfs/dbraw/zinc/86/78/20/1178867820.db2.gz HCDBMZQKJNGIBV-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CCOC ZINC001701002596 1178867825 /nfs/dbraw/zinc/86/78/25/1178867825.db2.gz HCDBMZQKJNGIBV-JKSUJKDBSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001707213483 1180436739 /nfs/dbraw/zinc/43/67/39/1180436739.db2.gz PUAXWOPCPBRHQY-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001707213483 1180436746 /nfs/dbraw/zinc/43/67/46/1180436746.db2.gz PUAXWOPCPBRHQY-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001707213483 1180436751 /nfs/dbraw/zinc/43/67/51/1180436751.db2.gz PUAXWOPCPBRHQY-JKSUJKDBSA-N 2 1 309.454 0.800 20 30 DCEDMP C#CC[N@H+](CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001713049832 1180650903 /nfs/dbraw/zinc/65/09/03/1180650903.db2.gz XDENVCOPHKLPHC-HNNXBMFYSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001713070778 1180662387 /nfs/dbraw/zinc/66/23/87/1180662387.db2.gz RXBBPAXONXZXSC-INIZCTEOSA-N 2 1 306.454 0.085 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001713399754 1180799894 /nfs/dbraw/zinc/79/98/94/1180799894.db2.gz SCLRNPCJAVROEG-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001713399754 1180799897 /nfs/dbraw/zinc/79/98/97/1180799897.db2.gz SCLRNPCJAVROEG-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001713399754 1180799901 /nfs/dbraw/zinc/79/99/01/1180799901.db2.gz SCLRNPCJAVROEG-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001713399754 1180799903 /nfs/dbraw/zinc/79/99/03/1180799903.db2.gz SCLRNPCJAVROEG-OAHLLOKOSA-N 2 1 324.469 0.553 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCOCC)C1 ZINC001713751185 1181046582 /nfs/dbraw/zinc/04/65/82/1181046582.db2.gz PRCHEZFGTFDDFR-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCOCC)C1 ZINC001713751185 1181046590 /nfs/dbraw/zinc/04/65/90/1181046590.db2.gz PRCHEZFGTFDDFR-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCOCC)C1 ZINC001713751185 1181046596 /nfs/dbraw/zinc/04/65/96/1181046596.db2.gz PRCHEZFGTFDDFR-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCOCC)C1 ZINC001713751185 1181046602 /nfs/dbraw/zinc/04/66/02/1181046602.db2.gz PRCHEZFGTFDDFR-SJORKVTESA-N 2 1 321.465 0.901 20 30 DCEDMP C=C(C)C[NH+]1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001713806508 1181082460 /nfs/dbraw/zinc/08/24/60/1181082460.db2.gz DQWPOGDFXHQIFW-UHFFFAOYSA-N 2 1 308.470 0.781 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001714019700 1181205268 /nfs/dbraw/zinc/20/52/68/1181205268.db2.gz AYASUESXMLRNEF-NMWPEEMBSA-N 2 1 322.453 0.398 20 30 DCEDMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001714050158 1181226492 /nfs/dbraw/zinc/22/64/92/1181226492.db2.gz ONMFMVRIGFTONH-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714050158 1181226496 /nfs/dbraw/zinc/22/64/96/1181226496.db2.gz ONMFMVRIGFTONH-MRXNPFEDSA-N 2 1 319.449 0.655 20 30 DCEDMP COCC#CC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001714179281 1181274157 /nfs/dbraw/zinc/27/41/57/1181274157.db2.gz ZOTMALZZSGARIW-KRWDZBQOSA-N 2 1 309.454 0.851 20 30 DCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001714358008 1181334764 /nfs/dbraw/zinc/33/47/64/1181334764.db2.gz YUCBFPVQGXUWEG-HNNXBMFYSA-N 2 1 304.394 0.279 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714898831 1181594435 /nfs/dbraw/zinc/59/44/35/1181594435.db2.gz YYPGVSKHXGYDLE-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001714898831 1181594441 /nfs/dbraw/zinc/59/44/41/1181594441.db2.gz YYPGVSKHXGYDLE-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001714898831 1181594444 /nfs/dbraw/zinc/59/44/44/1181594444.db2.gz YYPGVSKHXGYDLE-DLBZAZTESA-N 2 1 321.465 0.901 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715025081 1181655875 /nfs/dbraw/zinc/65/58/75/1181655875.db2.gz QYJUEHSVBXVJOO-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715025081 1181655876 /nfs/dbraw/zinc/65/58/76/1181655876.db2.gz QYJUEHSVBXVJOO-OAHLLOKOSA-N 2 1 307.438 0.511 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001715124708 1181696162 /nfs/dbraw/zinc/69/61/62/1181696162.db2.gz NFBXCTXXHHMRDE-DYVFJYSZSA-N 2 1 322.453 0.115 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001715374553 1181794559 /nfs/dbraw/zinc/79/45/59/1181794559.db2.gz JIAVAXPRCALVHV-STQMWFEESA-N 2 1 321.425 0.319 20 30 DCEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001715961630 1182120929 /nfs/dbraw/zinc/12/09/29/1182120929.db2.gz PWHRWDHGOQAEAH-CABCVRRESA-N 2 1 324.469 0.457 20 30 DCEDMP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001716329885 1182338520 /nfs/dbraw/zinc/33/85/20/1182338520.db2.gz KUFNZWPYMPGTEJ-ZYOQUQOHSA-N 2 1 320.437 0.130 20 30 DCEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001716892500 1182559459 /nfs/dbraw/zinc/55/94/59/1182559459.db2.gz CMRVXNJRVCFXIC-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001716892500 1182559462 /nfs/dbraw/zinc/55/94/62/1182559462.db2.gz CMRVXNJRVCFXIC-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001716892500 1182559464 /nfs/dbraw/zinc/55/94/64/1182559464.db2.gz CMRVXNJRVCFXIC-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001716892500 1182559466 /nfs/dbraw/zinc/55/94/66/1182559466.db2.gz CMRVXNJRVCFXIC-NVXWUHKLSA-N 2 1 307.438 0.559 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC=C)CCOCC1 ZINC001716905559 1182563805 /nfs/dbraw/zinc/56/38/05/1182563805.db2.gz LBWVMKDYWCPFSW-INIZCTEOSA-N 2 1 319.449 0.915 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC=C)CCOCC1 ZINC001716905559 1182563806 /nfs/dbraw/zinc/56/38/06/1182563806.db2.gz LBWVMKDYWCPFSW-INIZCTEOSA-N 2 1 319.449 0.915 20 30 DCEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2C1 ZINC001717010709 1182620931 /nfs/dbraw/zinc/62/09/31/1182620931.db2.gz NLXNYOCHRYEDEI-GASCZTMLSA-N 2 1 316.405 0.382 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)OC)CC1 ZINC001717500061 1182866234 /nfs/dbraw/zinc/86/62/34/1182866234.db2.gz OPXXEQVJZVWJSF-CABCVRRESA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001717801523 1183007453 /nfs/dbraw/zinc/00/74/53/1183007453.db2.gz GNHHRZKPROACPX-HUUCEWRRSA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001717924303 1183064486 /nfs/dbraw/zinc/06/44/86/1183064486.db2.gz GWXFSCODHRDSMN-JKSUJKDBSA-N 2 1 309.454 0.541 20 30 DCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001722918061 1184232278 /nfs/dbraw/zinc/23/22/78/1184232278.db2.gz ZZBDIGUNJOGTEY-INIZCTEOSA-N 2 1 309.454 0.949 20 30 DCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CCOCC)CC1 ZINC001722915164 1184232472 /nfs/dbraw/zinc/23/24/72/1184232472.db2.gz FOGXRGXCQPVDDX-OAHLLOKOSA-N 2 1 309.454 0.805 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CCCC1 ZINC001724109053 1184378042 /nfs/dbraw/zinc/37/80/42/1184378042.db2.gz JDFDWTHAUOWAQT-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CCCC1 ZINC001724109053 1184378044 /nfs/dbraw/zinc/37/80/44/1184378044.db2.gz JDFDWTHAUOWAQT-IAGOWNOFSA-N 2 1 321.465 0.995 20 30 DCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001724173768 1184396127 /nfs/dbraw/zinc/39/61/27/1184396127.db2.gz MGIAODCDXKIUAP-PBHICJAKSA-N 2 1 322.453 0.306 20 30 DCEDMP C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001724184835 1184398182 /nfs/dbraw/zinc/39/81/82/1184398182.db2.gz WDAKXMQBDDVXQS-KRWDZBQOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001724184835 1184398189 /nfs/dbraw/zinc/39/81/89/1184398189.db2.gz WDAKXMQBDDVXQS-KRWDZBQOSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCCCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001724489408 1184455723 /nfs/dbraw/zinc/45/57/23/1184455723.db2.gz AOWMAXVNPYRLIT-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CCCCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001724489408 1184455727 /nfs/dbraw/zinc/45/57/27/1184455727.db2.gz AOWMAXVNPYRLIT-OAHLLOKOSA-N 2 1 309.454 0.847 20 30 DCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001724630202 1184481302 /nfs/dbraw/zinc/48/13/02/1184481302.db2.gz ITRMBBFQHCTZLT-SFHVURJKSA-N 2 1 320.481 0.829 20 30 DCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCO1 ZINC001724814454 1184570231 /nfs/dbraw/zinc/57/02/31/1184570231.db2.gz CSMRRVVABJMUQK-ZBFHGGJFSA-N 2 1 318.421 0.757 20 30 DCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001725000952 1184651220 /nfs/dbraw/zinc/65/12/20/1184651220.db2.gz VMEDWPCJJZGLTD-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001725000952 1184651224 /nfs/dbraw/zinc/65/12/24/1184651224.db2.gz VMEDWPCJJZGLTD-HOTGVXAUSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001725000953 1184651830 /nfs/dbraw/zinc/65/18/30/1184651830.db2.gz VMEDWPCJJZGLTD-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001725000953 1184651835 /nfs/dbraw/zinc/65/18/35/1184651835.db2.gz VMEDWPCJJZGLTD-HZPDHXFCSA-N 2 1 307.438 0.701 20 30 DCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725163883 1184701773 /nfs/dbraw/zinc/70/17/73/1184701773.db2.gz XYMRQJUJNYRCTJ-ZFWWWQNUSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725163883 1184701778 /nfs/dbraw/zinc/70/17/78/1184701778.db2.gz XYMRQJUJNYRCTJ-ZFWWWQNUSA-N 2 1 322.453 0.067 20 30 DCEDMP C=CCC[NH+]1CC(CCO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001725209226 1184725909 /nfs/dbraw/zinc/72/59/09/1184725909.db2.gz VCZRMKPACXMPHM-UHFFFAOYSA-N 2 1 309.454 0.992 20 30 DCEDMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001725234156 1184732068 /nfs/dbraw/zinc/73/20/68/1184732068.db2.gz LSBVLEIDWSJAHP-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001725234156 1184732073 /nfs/dbraw/zinc/73/20/73/1184732073.db2.gz LSBVLEIDWSJAHP-HOTGVXAUSA-N 2 1 309.454 0.995 20 30 DCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001725537257 1184869400 /nfs/dbraw/zinc/86/94/00/1184869400.db2.gz ASZPHWLVMVZONX-SWLSCSKDSA-N 2 1 301.406 0.452 20 30 DCEDMP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001731357930 1185289615 /nfs/dbraw/zinc/28/96/15/1185289615.db2.gz OXMPILHQOFBMJS-KRWDZBQOSA-N 2 1 320.481 0.618 20 30 DCEDMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC#Cc1ccccc1 ZINC001731589999 1185401731 /nfs/dbraw/zinc/40/17/31/1185401731.db2.gz XSSIBBMMJILAEC-DOTOQJQBSA-N 2 1 315.417 0.463 20 30 DCEDMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC#Cc1ccccc1 ZINC001731589999 1185401733 /nfs/dbraw/zinc/40/17/33/1185401733.db2.gz XSSIBBMMJILAEC-DOTOQJQBSA-N 2 1 315.417 0.463 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731859677 1185534703 /nfs/dbraw/zinc/53/47/03/1185534703.db2.gz FKHRXVQXDMVOTM-LSDHHAIUSA-N 2 1 322.453 0.211 20 30 DCEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001733068746 1186126776 /nfs/dbraw/zinc/12/67/76/1186126776.db2.gz WJUFTDGLOAQIIQ-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001733068746 1186126777 /nfs/dbraw/zinc/12/67/77/1186126777.db2.gz WJUFTDGLOAQIIQ-OAHLLOKOSA-N 2 1 322.453 0.048 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001733444745 1186272461 /nfs/dbraw/zinc/27/24/61/1186272461.db2.gz FHOWCTOYPPVHSF-WMLDXEAASA-N 2 1 322.453 0.069 20 30 DCEDMP C[NH+](C)CCCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001733757366 1186435355 /nfs/dbraw/zinc/43/53/55/1186435355.db2.gz ILOXAMDXUUETCJ-HNNXBMFYSA-N 2 1 307.442 0.070 20 30 DCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001733888806 1186487526 /nfs/dbraw/zinc/48/75/26/1186487526.db2.gz IXHAJBCHCZUTNH-GASCZTMLSA-N 2 1 307.438 0.436 20 30 DCEDMP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001733987257 1186515609 /nfs/dbraw/zinc/51/56/09/1186515609.db2.gz JYMMDPMPBPLRGK-QWHCGFSZSA-N 2 1 304.394 1.000 20 30 DCEDMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001734054208 1186532541 /nfs/dbraw/zinc/53/25/41/1186532541.db2.gz SAEGWWJRJIQMDC-ZDUSSCGKSA-N 2 1 304.394 0.954 20 30 DCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001734054208 1186532543 /nfs/dbraw/zinc/53/25/43/1186532543.db2.gz SAEGWWJRJIQMDC-ZDUSSCGKSA-N 2 1 304.394 0.954 20 30 DCEDMP COCC#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001734441093 1186654815 /nfs/dbraw/zinc/65/48/15/1186654815.db2.gz GDJZVHLCCDCHOP-AEFFLSMTSA-N 2 1 319.449 0.845 20 30 DCEDMP COCC#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001734441093 1186654820 /nfs/dbraw/zinc/65/48/20/1186654820.db2.gz GDJZVHLCCDCHOP-AEFFLSMTSA-N 2 1 319.449 0.845 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(C)C ZINC001734544327 1186686608 /nfs/dbraw/zinc/68/66/08/1186686608.db2.gz OIJYJLHYMFRFBJ-HOTGVXAUSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(C)C ZINC001734544327 1186686613 /nfs/dbraw/zinc/68/66/13/1186686613.db2.gz OIJYJLHYMFRFBJ-HOTGVXAUSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC(C)C ZINC001734544327 1186686617 /nfs/dbraw/zinc/68/66/17/1186686617.db2.gz OIJYJLHYMFRFBJ-HOTGVXAUSA-N 2 1 309.454 0.491 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC(C)C ZINC001734544327 1186686620 /nfs/dbraw/zinc/68/66/20/1186686620.db2.gz OIJYJLHYMFRFBJ-HOTGVXAUSA-N 2 1 309.454 0.491 20 30 DCEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001752462972 1188424375 /nfs/dbraw/zinc/42/43/75/1188424375.db2.gz JCUNGKLUGFOEDO-YUELXQCFSA-N 2 1 322.453 0.113 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001752943725 1188465720 /nfs/dbraw/zinc/46/57/20/1188465720.db2.gz OTOHEFONVGBEPO-HUUCEWRRSA-N 2 1 322.453 0.211 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001752959329 1188468330 /nfs/dbraw/zinc/46/83/30/1188468330.db2.gz QICYVHAZLFIDCC-HUUCEWRRSA-N 2 1 322.453 0.069 20 30 DCEDMP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001752983847 1188471266 /nfs/dbraw/zinc/47/12/66/1188471266.db2.gz PWGHLGCOVJAHPJ-HOTGVXAUSA-N 2 1 309.454 0.993 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001753110441 1188502407 /nfs/dbraw/zinc/50/24/07/1188502407.db2.gz NHGLEWHZDCCHEM-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001753110441 1188502410 /nfs/dbraw/zinc/50/24/10/1188502410.db2.gz NHGLEWHZDCCHEM-CABCVRRESA-N 2 1 322.453 0.047 20 30 DCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001753297965 1188559833 /nfs/dbraw/zinc/55/98/33/1188559833.db2.gz VVNZRMGVPQZXLE-DLBZAZTESA-N 2 1 315.417 0.787 20 30 DCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001753297965 1188559835 /nfs/dbraw/zinc/55/98/35/1188559835.db2.gz VVNZRMGVPQZXLE-DLBZAZTESA-N 2 1 315.417 0.787 20 30 DCEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001753358796 1188572664 /nfs/dbraw/zinc/57/26/64/1188572664.db2.gz BKAHPTJBROIXQP-IRXDYDNUSA-N 2 1 321.465 0.758 20 30 DCEDMP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001753515375 1188612948 /nfs/dbraw/zinc/61/29/48/1188612948.db2.gz YYDIWEDSJDKSGQ-YOEHRIQHSA-N 2 1 322.453 0.257 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753853078 1188665312 /nfs/dbraw/zinc/66/53/12/1188665312.db2.gz KMAKDJIZWYUHDN-QLFBSQMISA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753853078 1188665314 /nfs/dbraw/zinc/66/53/14/1188665314.db2.gz KMAKDJIZWYUHDN-QLFBSQMISA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001753853078 1188665315 /nfs/dbraw/zinc/66/53/15/1188665315.db2.gz KMAKDJIZWYUHDN-QLFBSQMISA-N 2 1 324.469 0.408 20 30 DCEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753853078 1188665317 /nfs/dbraw/zinc/66/53/17/1188665317.db2.gz KMAKDJIZWYUHDN-QLFBSQMISA-N 2 1 324.469 0.408 20 30 DCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001754857553 1188951421 /nfs/dbraw/zinc/95/14/21/1188951421.db2.gz JWDLYHNPNBQKEP-QGZVFWFLSA-N 2 1 309.454 0.847 20 30 DCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC#CC)C1 ZINC001755085544 1189018085 /nfs/dbraw/zinc/01/80/85/1189018085.db2.gz IYSMKBMTMGTZQF-WMZOPIPTSA-N 2 1 317.433 0.050 20 30 DCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC#CC)C1 ZINC001755085544 1189018092 /nfs/dbraw/zinc/01/80/92/1189018092.db2.gz IYSMKBMTMGTZQF-WMZOPIPTSA-N 2 1 317.433 0.050 20 30 DCEDMP C#CCC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001755111685 1189026824 /nfs/dbraw/zinc/02/68/24/1189026824.db2.gz JGRDUNVWFHBRIH-WFASDCNBSA-N 2 1 304.394 0.810 20 30 DCEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001755211414 1189055774 /nfs/dbraw/zinc/05/57/74/1189055774.db2.gz SOTXBIZWBVALRV-XSCHDIRWSA-N 2 1 322.453 0.113 20 30 DCEDMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)CC[N@H+]1C ZINC001755587312 1189153322 /nfs/dbraw/zinc/15/33/22/1189153322.db2.gz AKBBXFYGQIBUBF-OWCLPIDISA-N 2 1 309.454 0.803 20 30 DCEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001755839910 1189232833 /nfs/dbraw/zinc/23/28/33/1189232833.db2.gz NVZARJIYVOEFQH-AWEZNQCLSA-N 2 1 324.469 0.197 20 30 DCEDMP